| Identification code | rudi002 |
| Empirical formula | C21H31B33O8F6Cl33Gd |
| Formula weight | 2209.29 |
| Temperature/K | 100.00 |
| Crystal system | triclinic |
| Space group | P-1 |
| a/Å | 14.1859(5) |
| b/Å | 14.2782(5) |
| c/Å | 21.3407(8) |
| α/° | 89.739(2) |
| β/° | 72.199(2) |
| γ/° | 74.792(2) |
| Volume/Å3 | 3958.0(3) |
| Z | 2 |
| ρcalcg/cm3 | 1.854 |
| μ/mm‑1 | 16.151 |
| F(000) | 2130.0 |
| Crystal size/mm3 | 0.262 × 0.189 × 0.163 |
| Radiation | CuKα (λ = 1.54178) |
| 2Θ range for data collection/° | 6.436 to 149.256 |
| Index ranges | -17 ≤ h ≤ 17, -17 ≤ k ≤ 16, -26 ≤ l ≤ 25 |
| Reflections collected | 129975 |
| Independent reflections | 15871 [Rint = 0.0577, Rsigma = 0.0318] |
| Data/restraints/parameters | 15871/7/927 |
| Goodness-of-fit on F2 | 1.028 |
| Final R indexes [I>=2σ (I)] | R1 = 0.0497, wR2 = 0.1150 |
| Final R indexes [all data] | R1 = 0.0521, wR2 = 0.1168 |
| Largest diff. peak/hole / e Å-3 | 1.50/-1.78 |
| Atom | x | y | z | U(eq) |
|---|---|---|---|---|
| Gd1 | 6631.5(2) | 652.4(2) | 7283.3(2) | 11.25(7) |
| O1 | 5976(3) | 1372(3) | 6434.9(18) | 26.6(8) |
| O2 | 5846(5) | 2326(3) | 7680(2) | 49.9(13) |
| O3 | 4854(3) | 759(5) | 7637(2) | 67.4(19) |
| O4 | 7785(4) | 1528(5) | 6700(2) | 67.2(18) |
| O5 | 6298(4) | 800(3) | 8445.3(18) | 41.1(12) |
| O6 | 7412(4) | -469(3) | 6326(2) | 43.1(11) |
| O7 | 6607(5) | -926(3) | 7642(2) | 61.9(15) |
| O8 | 8276(4) | -74(3) | 7396(3) | 64.7(17) |
| Cl1 | -497.8(11) | 1695.3(17) | 10910.5(8) | 58.9(5) |
| Cl2 | -52.3(13) | 4007.3(14) | 11037.0(7) | 57.4(5) |
| Cl3 | 1679.8(17) | 4307.4(12) | 9468.3(7) | 62.5(6) |
| Cl4 | 2324.3(11) | 2146.7(11) | 8413.3(6) | 37.0(3) |
| Cl5 | 978.6(12) | 530.7(16) | 9309.6(8) | 55.4(5) |
| Cl6 | 1977.3(12) | -220.1(11) | 10717.7(7) | 41.4(4) |
| Cl7 | 1287.6(10) | 2041.9(11) | 11807.6(6) | 35.3(3) |
| Cl8 | 2668.9(13) | 3695.5(12) | 10880.3(7) | 42.2(4) |
| Cl9 | 4189.8(10) | 2522.3(10) | 9231.0(6) | 30.4(3) |
| Cl10 | 3762.9(9) | 96.4(8) | 9120.8(5) | 21.8(2) |
| Cl11 | 3940.4(9) | 1060.5(11) | 10653.5(6) | 31.2(3) |
| C1 | 949(4) | 2505(5) | 9847(3) | 34.5(14) |
| B1 | 731(5) | 1840(6) | 10526(3) | 33.0(15) |
| B2 | 952(5) | 3016(5) | 10575(3) | 32.0(16) |
| B3 | 1819(5) | 3165(5) | 9797(3) | 31.2(15) |
| B4 | 2138(4) | 2086(5) | 9270(3) | 24.6(13) |
| B5 | 1468(5) | 1258(5) | 9710(3) | 30.7(14) |
| B6 | 1920(4) | 943(5) | 10403(3) | 23.8(12) |
| B7 | 1596(4) | 2035(5) | 10931(3) | 23.3(12) |
| B8 | 2266(5) | 2861(5) | 10487(3) | 24.0(13) |
| B9 | 3002(4) | 2272(4) | 9675(3) | 20.4(11) |
| B10 | 2789(4) | 1093(4) | 9621(3) | 19.4(11) |
| B11 | 2865(4) | 1578(4) | 10376(3) | 20.1(11) |
| Cl12 | 6909.7(9) | 3288.9(8) | 4233.6(6) | 23.3(2) |
| Cl13 | 5377.0(8) | 1746.1(8) | 5042.0(5) | 18.1(2) |
| Cl14 | 5404.2(8) | 18.8(8) | 3806.3(6) | 18.5(2) |
| Cl15 | 6897.2(10) | 570.8(9) | 2253.3(5) | 23.8(2) |
| Cl16 | 7865.2(10) | 2550.2(9) | 2515.5(6) | 28.3(3) |
| Cl17 | 9618.4(9) | 1783.6(10) | 3516.0(7) | 32.0(3) |
| Cl18 | 8055.4(9) | 1240.2(10) | 5124.1(6) | 30.0(3) |
| Cl19 | 7068.8(9) | -791.6(8) | 4854.8(5) | 22.3(2) |
| Cl20 | 8030.4(9) | -1549.8(8) | 3095.8(6) | 22.5(2) |
| Cl21 | 9616.6(9) | 42.0(9) | 2242.9(6) | 24.2(2) |
| Cl22 | 9676.8(9) | -736.2(10) | 3899.4(7) | 31.6(3) |
| C2 | 6558(3) | 1586(3) | 3580(2) | 13.5(9) |
| B12 | 7271(4) | 2048(4) | 3963(3) | 14.4(10) |
| B13 | 6500(4) | 1272(4) | 4364(2) | 13.3(10) |
| B14 | 6504(4) | 421(4) | 3746(2) | 13.1(10) |
| B15 | 7266(4) | 672(4) | 2964(2) | 15.3(10) |
| B16 | 7738(4) | 1678(4) | 3095(3) | 16.3(10) |
| B17 | 8551(4) | 1310(4) | 3593(3) | 15.6(10) |
| B18 | 7781(4) | 1061(4) | 4377(3) | 16.2(10) |
| B19 | 7302(4) | 51(4) | 4252(2) | 14.5(10) |
| B20 | 7784(4) | -320(4) | 3385(2) | 14.2(10) |
| B21 | 8554(4) | 462(4) | 2976(3) | 16.8(11) |
| B22 | 8581(4) | 79(4) | 3772(3) | 16.2(10) |
| Cl23 | 11188.1(9) | 6046.4(9) | 5134.6(6) | 25.5(3) |
| Cl24 | 11450.9(9) | 3487.5(9) | 5076.6(6) | 22.7(2) |
| Cl25 | 11380.9(9) | 2748.0(8) | 3509.4(6) | 22.6(2) |
| Cl26 | 11069.3(11) | 4822.2(9) | 2589.2(6) | 28.8(3) |
| Cl27 | 10931.8(11) | 6854.2(9) | 3601.4(7) | 33.4(3) |
| Cl28 | 13508.8(11) | 6483.3(8) | 3862.4(7) | 28.9(3) |
| Cl29 | 13835.6(9) | 4334.5(9) | 4814.8(6) | 21.9(2) |
| Cl30 | 13882.8(8) | 2219.2(8) | 3784.6(6) | 22.2(2) |
| Cl31 | 13709.5(10) | 3080.5(9) | 2207.4(6) | 27.3(3) |
| Cl32 | 13407.9(13) | 5704.4(11) | 2257.9(7) | 38.1(3) |
| Cl33 | 15152.1(9) | 4097.4(10) | 3042.4(6) | 27.5(3) |
| C3 | 11303(4) | 4780(3) | 3961(2) | 15.8(9) |
| B23 | 11910(4) | 5298(4) | 4395(3) | 16.5(10) |
| B24 | 12033(4) | 4024(4) | 4370(3) | 14.0(10) |
| B25 | 11998(4) | 3655(4) | 3574(3) | 14.7(10) |
| B26 | 11838(4) | 4691(4) | 3107(3) | 17.8(11) |
| B27 | 11789(5) | 5703(4) | 3616(3) | 20.3(11) |
| B28 | 12984(4) | 5504(4) | 3768(3) | 18.6(11) |
| B29 | 13149(4) | 4455(4) | 4240(3) | 13.8(10) |
| B30 | 13192(4) | 3436(4) | 3734(3) | 13.1(10) |
| B31 | 13084(4) | 3848(4) | 2954(3) | 16.7(10) |
| B32 | 12944(5) | 5126(4) | 2982(3) | 19.0(11) |
| B33 | 13793(4) | 4345(4) | 3363(3) | 16.9(10) |
| F1 | 4044(3) | 2527(3) | 6543(3) | 76.2(15) |
| F2 | 3919(4) | 3494(5) | 7640(3) | 84.9(17) |
| C4 | 3290(4) | 3376(4) | 6760(3) | 34.0(13) |
| C5 | 3218(4) | 3870(5) | 7327(3) | 36.2(14) |
| C6 | 2463(5) | 4703(5) | 7576(3) | 42.3(16) |
| C7 | 1769(6) | 5060(5) | 7239(4) | 43.9(16) |
| C8 | 1855(6) | 4557(5) | 6664(3) | 45.8(17) |
| C9 | 2615(5) | 3711(5) | 6426(3) | 38.6(15) |
| F3 | 3908(6) | 4922(4) | 8610(3) | 96(2) |
| F4 | 5225(5) | 4838(4) | 9265(2) | 80.3(16) |
| C10 | 3921(7) | 5764(6) | 8889(3) | 55(2) |
| C11 | 4617(6) | 5726(5) | 9218(3) | 45.7(17) |
| C12 | 4664(5) | 6553(6) | 9507(3) | 43.8(16) |
| C13 | 4016(6) | 7421(6) | 9453(4) | 51.2(18) |
| C14 | 3321(7) | 7464(7) | 9125(4) | 64(2) |
| C15 | 3277(7) | 6623(8) | 8841(4) | 67(2) |
| F5 | 6738(3) | 2659(3) | 8901(2) | 56.9(11) |
| F6 | 8316(3) | 1812(3) | 7858.4(18) | 48.9(10) |
| C16 | 7654(5) | 2884(4) | 8808(3) | 36.0(14) |
| C17 | 8462(5) | 2453(4) | 8269(3) | 35.6(14) |
| C18 | 9385(5) | 2661(5) | 8138(3) | 41.6(16) |
| C19 | 9490(5) | 3329(5) | 8570(3) | 40.3(15) |
| C20 | 8676(5) | 3757(5) | 9120(3) | 39.1(14) |
| C21 | 7744(6) | 3534(5) | 9242(3) | 44.7(17) |
| Atom | U11 | U22 | U33 | U23 | U13 | U12 |
|---|---|---|---|---|---|---|
| Gd1 | 13.67(13) | 10.43(13) | 8.44(12) | 1.55(9) | -2.39(10) | -2.56(9) |
| O1 | 37(2) | 33(2) | 19.9(18) | 10.7(15) | -16.3(16) | -17.9(17) |
| O2 | 101(4) | 17(2) | 27(2) | 4.9(16) | -27(2) | -3(2) |
| O3 | 29(2) | 174(6) | 19(2) | 24(3) | -9.4(19) | -58(3) |
| O4 | 55(3) | 139(6) | 41(3) | 47(3) | -22(3) | -74(4) |
| O5 | 87(4) | 16.8(19) | 17.3(19) | -0.7(15) | -29(2) | 4(2) |
| O6 | 72(3) | 26(2) | 22(2) | -6.9(16) | -16(2) | 3(2) |
| O7 | 131(5) | 21(2) | 35(2) | 12.3(18) | -19(3) | -31(3) |
| O8 | 51(3) | 32(3) | 124(5) | -11(3) | -69(3) | 14(2) |
| Cl1 | 18.5(7) | 118.4(17) | 29.4(8) | -4.8(9) | 4.6(6) | -15.2(8) |
| Cl2 | 48.0(9) | 66.2(11) | 21.0(7) | -7.9(7) | -5.0(6) | 40.0(8) |
| Cl3 | 101.9(15) | 31.0(8) | 20.3(7) | 5.0(6) | -9.7(8) | 27.8(9) |
| Cl4 | 38.7(7) | 51.8(9) | 8.3(5) | 0.2(5) | -10.8(5) | 12.3(6) |
| Cl5 | 31.8(8) | 105.8(15) | 31.0(8) | -19.2(8) | -1.6(6) | -32.2(9) |
| Cl6 | 45.4(8) | 39.2(8) | 28.2(7) | 10.6(6) | 5.3(6) | -12.7(6) |
| Cl7 | 31.1(7) | 56.0(9) | 6.5(5) | 5.6(5) | -2.3(5) | 4.5(6) |
| Cl8 | 54.8(9) | 45.8(9) | 20.2(6) | -11.2(6) | -5.3(6) | -11.9(7) |
| Cl9 | 34.6(7) | 33.7(7) | 16.9(6) | -1.7(5) | 2.6(5) | -12.0(5) |
| Cl10 | 20.7(5) | 21.8(6) | 15.7(5) | 0.8(4) | -1.5(4) | 1.4(4) |
| Cl11 | 19.6(6) | 51.2(8) | 17.0(6) | 7.3(5) | -10.5(5) | 5.9(5) |
| C1 | 23(3) | 55(4) | 12(2) | -1(2) | -6(2) | 13(3) |
| B1 | 14(3) | 59(5) | 18(3) | -3(3) | -2(2) | 0(3) |
| B2 | 22(3) | 48(4) | 10(3) | -1(2) | -5(2) | 17(3) |
| B3 | 39(4) | 28(3) | 11(3) | -3(2) | -6(2) | 15(3) |
| B4 | 19(3) | 38(3) | 8(2) | 1(2) | -6(2) | 8(2) |
| B5 | 17(3) | 52(4) | 16(3) | -2(3) | 0(2) | -3(3) |
| B6 | 17(3) | 33(3) | 16(3) | 4(2) | 1(2) | -5(2) |
| B7 | 18(3) | 38(3) | 7(2) | 3(2) | -2(2) | 1(2) |
| B8 | 25(3) | 30(3) | 9(2) | 2(2) | -6(2) | 6(2) |
| B9 | 25(3) | 24(3) | 7(2) | 4(2) | -5(2) | 1(2) |
| B10 | 15(3) | 29(3) | 12(2) | 3(2) | -4(2) | -2(2) |
| B11 | 15(3) | 33(3) | 7(2) | 3(2) | -1(2) | -2(2) |
| Cl12 | 22.8(6) | 16.8(5) | 26.7(6) | -8.5(4) | -1.4(5) | -6.9(4) |
| Cl13 | 12.5(5) | 22.5(6) | 11.9(5) | 0.7(4) | 2.7(4) | 0.0(4) |
| Cl14 | 15.2(5) | 15.2(5) | 27.1(6) | 5.1(4) | -5.6(4) | -8.9(4) |
| Cl15 | 35.1(6) | 25.9(6) | 14.4(5) | 1.2(4) | -9.8(5) | -12.3(5) |
| Cl16 | 35.5(7) | 21.0(6) | 21.0(6) | 6.5(4) | 5.0(5) | -12.1(5) |
| Cl17 | 14.2(5) | 37.5(7) | 41.6(7) | -13.4(6) | 2.1(5) | -15.2(5) |
| Cl18 | 21.9(6) | 47.7(8) | 17.5(6) | -11.0(5) | -7.2(5) | -3.5(5) |
| Cl19 | 21.8(6) | 23.5(6) | 16.5(5) | 8.4(4) | -2.4(4) | -2.0(4) |
| Cl20 | 24.5(6) | 12.3(5) | 25.2(6) | -3.8(4) | -0.9(5) | -3.8(4) |
| Cl21 | 18.4(5) | 28.2(6) | 16.1(5) | -6.4(4) | 8.9(4) | -6.5(5) |
| Cl22 | 16.2(6) | 35.8(7) | 32.7(7) | -5.7(5) | -6.1(5) | 7.9(5) |
| C2 | 15(2) | 11(2) | 13(2) | 2.6(16) | 0.0(17) | -6.3(17) |
| B12 | 9(2) | 16(3) | 14(2) | -5.0(19) | 3.6(19) | -3.9(19) |
| B13 | 9(2) | 15(2) | 12(2) | 0.7(18) | 0.3(18) | -2.6(19) |
| B14 | 9(2) | 14(2) | 15(2) | 0.9(18) | 1.2(19) | -6.0(18) |
| B15 | 17(2) | 15(3) | 11(2) | -2.9(19) | 3.5(19) | -9(2) |
| B16 | 17(3) | 18(3) | 10(2) | -1.7(19) | 4.8(19) | -9(2) |
| B17 | 7(2) | 20(3) | 15(2) | -5(2) | 4.5(19) | -4.9(19) |
| B18 | 7(2) | 22(3) | 15(2) | -5(2) | 0.9(19) | -2.6(19) |
| B19 | 12(2) | 19(3) | 8(2) | 0.0(19) | 2.2(18) | -2.6(19) |
| B20 | 14(2) | 14(2) | 10(2) | -2.1(18) | 1.4(19) | -4.1(19) |
| B21 | 12(2) | 18(3) | 15(2) | -3(2) | 3(2) | -5(2) |
| B22 | 11(2) | 20(3) | 12(2) | -3(2) | 2.8(19) | -4(2) |
| Cl23 | 23.8(6) | 24.0(6) | 24.1(6) | -12.2(5) | -8.4(5) | 2.3(5) |
| Cl24 | 17.1(5) | 29.4(6) | 21.1(6) | 10.7(5) | -3.4(4) | -8.9(5) |
| Cl25 | 19.4(5) | 16.1(5) | 34.8(6) | -1.8(4) | -7.2(5) | -10.3(4) |
| Cl26 | 37.8(7) | 30.2(7) | 26.4(6) | 2.9(5) | -20.4(5) | -10.5(5) |
| Cl27 | 47.6(8) | 10.6(5) | 49.6(8) | 4.8(5) | -32.0(7) | -1.2(5) |
| Cl28 | 44.2(7) | 15.2(6) | 41.2(7) | 6.8(5) | -24.6(6) | -18.7(5) |
| Cl29 | 20.4(5) | 25.6(6) | 23.5(6) | 5.4(4) | -12.0(5) | -6.7(4) |
| Cl30 | 14.1(5) | 9.3(5) | 40.1(7) | 3.1(4) | -6.0(5) | -0.9(4) |
| Cl31 | 32.9(7) | 26.9(6) | 18.4(6) | -8.6(5) | 2.3(5) | -14.2(5) |
| Cl32 | 60.8(9) | 47.3(8) | 25.6(7) | 21.9(6) | -20.3(6) | -39.5(7) |
| Cl33 | 17.2(6) | 36.2(7) | 28.4(6) | 1.9(5) | 1.0(5) | -15.7(5) |
| C3 | 16(2) | 13(2) | 19(2) | -2.2(17) | -7.8(18) | -1.7(17) |
| B23 | 21(3) | 8(2) | 20(3) | 1.0(19) | -11(2) | 0(2) |
| B24 | 14(2) | 9(2) | 17(2) | 0.7(18) | -4(2) | -2.6(19) |
| B25 | 14(2) | 7(2) | 21(3) | -2.0(19) | -6(2) | 0.2(18) |
| B26 | 23(3) | 14(3) | 19(3) | 2(2) | -8(2) | -6(2) |
| B27 | 29(3) | 10(2) | 26(3) | 2(2) | -13(2) | -6(2) |
| B28 | 26(3) | 12(3) | 22(3) | 2(2) | -10(2) | -9(2) |
| B29 | 14(2) | 10(2) | 17(2) | 2.9(18) | -4(2) | -3.2(18) |
| B30 | 13(2) | 7(2) | 18(3) | 1.9(18) | -4(2) | -3.7(18) |
| B31 | 23(3) | 12(2) | 16(2) | 1.0(19) | -4(2) | -9(2) |
| B32 | 29(3) | 13(3) | 20(3) | 4(2) | -10(2) | -11(2) |
| B33 | 18(3) | 15(3) | 20(3) | 3(2) | -5(2) | -9(2) |
| F1 | 34(2) | 58(3) | 107(4) | -26(3) | 0(2) | 11(2) |
| F2 | 52(3) | 134(5) | 88(4) | 32(3) | -50(3) | -26(3) |
| C4 | 22(3) | 33(3) | 36(3) | -3(2) | 6(2) | -6(2) |
| C5 | 23(3) | 53(4) | 36(3) | 11(3) | -13(2) | -11(3) |
| C6 | 53(4) | 50(4) | 27(3) | -10(3) | -11(3) | -20(3) |
| C7 | 49(4) | 29(3) | 52(4) | 0(3) | -18(3) | -6(3) |
| C8 | 60(4) | 45(4) | 43(4) | 19(3) | -30(3) | -16(3) |
| C9 | 47(4) | 52(4) | 20(3) | 2(3) | -8(3) | -22(3) |
| F3 | 160(6) | 99(4) | 55(3) | 2(3) | -28(3) | -85(4) |
| F4 | 104(4) | 70(3) | 39(2) | 7(2) | -13(3) | 11(3) |
| C10 | 83(6) | 67(5) | 31(4) | 11(3) | -15(4) | -50(5) |
| C11 | 54(4) | 46(4) | 23(3) | 14(3) | -1(3) | -3(3) |
| C12 | 40(4) | 67(5) | 23(3) | 1(3) | -6(3) | -17(3) |
| C13 | 67(5) | 49(4) | 40(4) | 11(3) | -7(4) | -31(4) |
| C14 | 66(5) | 65(6) | 58(5) | 29(4) | -24(4) | -9(4) |
| C15 | 59(5) | 99(7) | 55(5) | 21(5) | -35(4) | -21(5) |
| F5 | 58(3) | 60(3) | 52(2) | -14(2) | -1(2) | -34(2) |
| F6 | 68(3) | 35(2) | 38(2) | -14.2(16) | -19.1(19) | -1.3(18) |
| C16 | 47(4) | 31(3) | 28(3) | 0(2) | -5(3) | -16(3) |
| C17 | 56(4) | 17(3) | 28(3) | -2(2) | -16(3) | 2(3) |
| C18 | 39(4) | 35(3) | 33(3) | -3(3) | -1(3) | 8(3) |
| C19 | 35(3) | 35(3) | 46(4) | 11(3) | -12(3) | -1(3) |
| C20 | 49(4) | 30(3) | 39(3) | -4(3) | -15(3) | -11(3) |
| C21 | 52(4) | 46(4) | 27(3) | -12(3) | 5(3) | -17(3) |
| Atom | Atom | Length/Å | Atom | Atom | Length/Å | |
|---|---|---|---|---|---|---|
| Gd1 | O1 | 2.389(3) | B16 | B17 | 1.778(8) | |
| Gd1 | O2 | 2.391(4) | B16 | B21 | 1.785(8) | |
| Gd1 | O3 | 2.364(4) | B17 | B18 | 1.789(7) | |
| Gd1 | O4 | 2.367(4) | B17 | B21 | 1.790(7) | |
| Gd1 | O5 | 2.378(4) | B17 | B22 | 1.790(8) | |
| Gd1 | O6 | 2.383(4) | B18 | B19 | 1.801(8) | |
| Gd1 | O7 | 2.382(4) | B18 | B22 | 1.791(7) | |
| Gd1 | O8 | 2.376(4) | B19 | B20 | 1.795(7) | |
| Cl1 | B1 | 1.751(7) | B19 | B22 | 1.801(7) | |
| Cl2 | B2 | 1.760(6) | B20 | B21 | 1.803(7) | |
| Cl3 | B3 | 1.760(7) | B20 | B22 | 1.788(7) | |
| Cl4 | B4 | 1.771(5) | B21 | B22 | 1.790(8) | |
| Cl5 | B5 | 1.744(7) | Cl23 | B23 | 1.772(5) | |
| Cl6 | B6 | 1.780(6) | Cl24 | B24 | 1.761(5) | |
| Cl7 | B7 | 1.785(5) | Cl25 | B25 | 1.770(5) | |
| Cl8 | B8 | 1.764(7) | Cl26 | B26 | 1.753(6) | |
| Cl9 | B9 | 1.789(6) | Cl27 | B27 | 1.776(6) | |
| Cl10 | B10 | 1.776(6) | Cl28 | B28 | 1.786(5) | |
| Cl11 | B11 | 1.785(6) | Cl29 | B29 | 1.767(5) | |
| C1 | B1 | 1.723(9) | Cl30 | B30 | 1.778(5) | |
| C1 | B2 | 1.722(8) | Cl31 | B31 | 1.779(5) | |
| C1 | B3 | 1.718(11) | Cl32 | B32 | 1.777(6) | |
| C1 | B4 | 1.711(8) | Cl33 | B33 | 1.775(5) | |
| C1 | B5 | 1.728(9) | C3 | B23 | 1.724(7) | |
| B1 | B2 | 1.797(11) | C3 | B24 | 1.720(7) | |
| B1 | B5 | 1.806(9) | C3 | B25 | 1.707(6) | |
| B1 | B6 | 1.776(9) | C3 | B26 | 1.738(7) | |
| B1 | B7 | 1.778(9) | C3 | B27 | 1.707(7) | |
| B2 | B3 | 1.789(9) | B23 | B24 | 1.780(7) | |
| B2 | B7 | 1.766(8) | B23 | B27 | 1.799(8) | |
| B2 | B8 | 1.768(9) | B23 | B28 | 1.783(8) | |
| B3 | B4 | 1.784(9) | B23 | B29 | 1.785(7) | |
| B3 | B8 | 1.782(8) | B24 | B25 | 1.800(7) | |
| B3 | B9 | 1.767(8) | B24 | B29 | 1.789(7) | |
| B4 | B5 | 1.794(10) | B24 | B30 | 1.781(7) | |
| B4 | B9 | 1.772(8) | B25 | B26 | 1.784(7) | |
| B4 | B10 | 1.775(8) | B25 | B30 | 1.778(7) | |
| B5 | B6 | 1.795(9) | B25 | B31 | 1.782(7) | |
| B5 | B10 | 1.776(8) | B26 | B27 | 1.787(8) | |
| B6 | B7 | 1.799(9) | B26 | B31 | 1.792(8) | |
| B6 | B10 | 1.798(8) | B26 | B32 | 1.781(8) | |
| B6 | B11 | 1.790(9) | B27 | B28 | 1.772(8) | |
| B7 | B8 | 1.794(9) | B27 | B32 | 1.772(8) | |
| B7 | B11 | 1.777(8) | B28 | B29 | 1.806(7) | |
| B8 | B9 | 1.802(8) | B28 | B32 | 1.786(8) | |
| B8 | B11 | 1.788(8) | B28 | B33 | 1.792(8) | |
| B9 | B10 | 1.796(9) | B29 | B30 | 1.792(7) | |
| B9 | B11 | 1.779(8) | B29 | B33 | 1.802(7) | |
| B10 | B11 | 1.800(8) | B30 | B31 | 1.802(7) | |
| Cl12 | B12 | 1.757(5) | B30 | B33 | 1.788(7) | |
| Cl13 | B13 | 1.767(5) | B31 | B32 | 1.782(7) | |
| Cl14 | B14 | 1.769(5) | B31 | B33 | 1.788(8) | |
| Cl15 | B15 | 1.767(5) | B32 | B33 | 1.799(8) | |
| Cl16 | B16 | 1.755(5) | F1 | C4 | 1.360(7) | |
| Cl17 | B17 | 1.778(5) | F2 | C5 | 1.358(7) | |
| Cl18 | B18 | 1.787(5) | C4 | C5 | 1.368(9) | |
| Cl19 | B19 | 1.773(5) | C4 | C9 | 1.351(9) | |
| Cl20 | B20 | 1.773(5) | C5 | C6 | 1.354(9) | |
| Cl21 | B21 | 1.781(5) | C6 | C7 | 1.384(10) | |
| Cl22 | B22 | 1.775(6) | C7 | C8 | 1.381(10) | |
| C2 | B12 | 1.728(7) | C8 | C9 | 1.367(10) | |
| C2 | B13 | 1.714(7) | F3 | C10 | 1.351(9) | |
| C2 | B14 | 1.715(6) | F4 | C11 | 1.357(8) | |
| C2 | B15 | 1.720(7) | C10 | C11 | 1.365(11) | |
| C2 | B16 | 1.716(6) | C10 | C15 | 1.348(12) | |
| B12 | B13 | 1.793(7) | C11 | C12 | 1.361(10) | |
| B12 | B16 | 1.795(7) | C12 | C13 | 1.364(11) | |
| B12 | B17 | 1.777(7) | C13 | C14 | 1.362(12) | |
| B12 | B18 | 1.771(8) | C14 | C15 | 1.373(13) | |
| B13 | B14 | 1.794(7) | F5 | C16 | 1.376(8) | |
| B13 | B18 | 1.772(7) | F6 | C17 | 1.365(7) | |
| B13 | B19 | 1.786(7) | C16 | C17 | 1.359(9) | |
| B14 | B15 | 1.782(7) | C16 | C21 | 1.371(9) | |
| B14 | B19 | 1.776(7) | C17 | C18 | 1.364(10) | |
| B14 | B20 | 1.776(7) | C18 | C19 | 1.396(10) | |
| B15 | B16 | 1.792(7) | C19 | C20 | 1.375(9) | |
| B15 | B20 | 1.788(8) | C20 | C21 | 1.388(10) | |
| B15 | B21 | 1.781(8) |
| Atom | Atom | Atom | Angle/˚ | Atom | Atom | Atom | Angle/˚ | |
|---|---|---|---|---|---|---|---|---|
| O1 | Gd1 | O2 | 75.43(14) | B12 | B17 | Cl17 | 120.7(3) | |
| O3 | Gd1 | O1 | 73.54(15) | B12 | B17 | B16 | 60.7(3) | |
| O3 | Gd1 | O2 | 76.8(2) | B12 | B17 | B18 | 59.5(3) | |
| O3 | Gd1 | O4 | 140.2(2) | B12 | B17 | B21 | 108.8(4) | |
| O3 | Gd1 | O5 | 80.59(16) | B12 | B17 | B22 | 108.0(3) | |
| O3 | Gd1 | O6 | 107.04(19) | B16 | B17 | B18 | 107.9(3) | |
| O3 | Gd1 | O7 | 77.6(2) | B16 | B17 | B21 | 60.1(3) | |
| O3 | Gd1 | O8 | 147.4(2) | B16 | B17 | B22 | 107.9(4) | |
| O4 | Gd1 | O1 | 73.72(15) | B18 | B17 | B21 | 108.1(4) | |
| O4 | Gd1 | O2 | 73.5(2) | B18 | B17 | B22 | 60.1(3) | |
| O4 | Gd1 | O5 | 113.31(17) | B22 | B17 | B21 | 60.0(3) | |
| O4 | Gd1 | O6 | 84.1(2) | Cl18 | B18 | B17 | 122.3(3) | |
| O4 | Gd1 | O7 | 141.2(2) | Cl18 | B18 | B19 | 120.3(4) | |
| O4 | Gd1 | O8 | 71.5(2) | Cl18 | B18 | B22 | 121.2(4) | |
| O5 | Gd1 | O1 | 141.50(14) | B12 | B18 | Cl18 | 122.1(3) | |
| O5 | Gd1 | O2 | 71.19(13) | B12 | B18 | B13 | 60.8(3) | |
| O5 | Gd1 | O6 | 143.46(14) | B12 | B18 | B17 | 59.9(3) | |
| O5 | Gd1 | O7 | 74.07(15) | B12 | B18 | B19 | 109.0(4) | |
| O6 | Gd1 | O1 | 72.80(14) | B12 | B18 | B22 | 108.3(4) | |
| O6 | Gd1 | O2 | 145.11(14) | B13 | B18 | Cl18 | 121.4(3) | |
| O7 | Gd1 | O1 | 125.49(16) | B13 | B18 | B17 | 108.4(4) | |
| O7 | Gd1 | O2 | 139.53(17) | B13 | B18 | B19 | 60.0(3) | |
| O7 | Gd1 | O6 | 72.97(16) | B13 | B18 | B22 | 108.1(4) | |
| O8 | Gd1 | O1 | 136.77(19) | B17 | B18 | B19 | 108.4(4) | |
| O8 | Gd1 | O2 | 117.12(19) | B17 | B18 | B22 | 60.0(3) | |
| O8 | Gd1 | O5 | 77.2(2) | B22 | B18 | B19 | 60.2(3) | |
| O8 | Gd1 | O6 | 78.75(18) | Cl19 | B19 | B13 | 121.8(3) | |
| O8 | Gd1 | O7 | 73.5(2) | Cl19 | B19 | B14 | 121.9(3) | |
| B1 | C1 | B5 | 63.1(4) | Cl19 | B19 | B18 | 122.4(3) | |
| B2 | C1 | B1 | 62.9(4) | Cl19 | B19 | B20 | 121.8(3) | |
| B2 | C1 | B5 | 115.3(4) | Cl19 | B19 | B22 | 122.6(3) | |
| B3 | C1 | B1 | 115.0(4) | B13 | B19 | B18 | 59.2(3) | |
| B3 | C1 | B2 | 62.7(4) | B13 | B19 | B20 | 108.0(4) | |
| B3 | C1 | B5 | 115.2(4) | B13 | B19 | B22 | 107.0(4) | |
| B4 | C1 | B1 | 115.0(4) | B14 | B19 | B13 | 60.5(3) | |
| B4 | C1 | B2 | 114.7(5) | B14 | B19 | B18 | 107.3(4) | |
| B4 | C1 | B3 | 62.7(4) | B14 | B19 | B20 | 59.6(3) | |
| B4 | C1 | B5 | 62.9(4) | B14 | B19 | B22 | 106.9(3) | |
| Cl1 | B1 | B2 | 119.8(4) | B18 | B19 | B22 | 59.6(3) | |
| Cl1 | B1 | B5 | 119.7(5) | B20 | B19 | B18 | 107.4(3) | |
| Cl1 | B1 | B6 | 126.3(5) | B20 | B19 | B22 | 59.6(3) | |
| Cl1 | B1 | B7 | 126.1(4) | Cl20 | B20 | B14 | 120.9(3) | |
| C1 | B1 | Cl1 | 120.2(4) | Cl20 | B20 | B15 | 121.9(3) | |
| C1 | B1 | B2 | 58.5(4) | Cl20 | B20 | B19 | 120.9(3) | |
| C1 | B1 | B5 | 58.6(4) | Cl20 | B20 | B21 | 123.0(3) | |
| C1 | B1 | B6 | 104.4(4) | Cl20 | B20 | B22 | 122.8(3) | |
| C1 | B1 | B7 | 104.0(5) | B14 | B20 | B15 | 60.0(3) | |
| B2 | B1 | B5 | 108.0(5) | B14 | B20 | B19 | 59.7(3) | |
| B6 | B1 | B2 | 108.0(4) | B14 | B20 | B21 | 107.5(4) | |
| B6 | B1 | B5 | 60.2(3) | B14 | B20 | B22 | 107.5(3) | |
| B6 | B1 | B7 | 60.8(3) | B15 | B20 | B19 | 107.9(3) | |
| B7 | B1 | B2 | 59.2(4) | B15 | B20 | B21 | 59.5(3) | |
| B7 | B1 | B5 | 108.6(4) | B15 | B20 | B22 | 107.3(4) | |
| Cl2 | B2 | B1 | 119.9(4) | B19 | B20 | B21 | 108.2(4) | |
| Cl2 | B2 | B3 | 121.1(5) | B22 | B20 | B19 | 60.4(3) | |
| Cl2 | B2 | B7 | 123.8(4) | B22 | B20 | B21 | 59.8(3) | |
| Cl2 | B2 | B8 | 124.0(5) | Cl21 | B21 | B15 | 120.9(4) | |
| C1 | B2 | Cl2 | 122.4(4) | Cl21 | B21 | B16 | 121.4(3) | |
| C1 | B2 | B1 | 58.6(4) | Cl21 | B21 | B17 | 122.6(3) | |
| C1 | B2 | B3 | 58.6(4) | Cl21 | B21 | B20 | 121.5(3) | |
| C1 | B2 | B7 | 104.6(5) | Cl21 | B21 | B22 | 122.9(4) | |
| C1 | B2 | B8 | 105.1(4) | B15 | B21 | B16 | 60.3(3) | |
| B3 | B2 | B1 | 108.0(4) | B15 | B21 | B17 | 107.8(4) | |
| B7 | B2 | B1 | 59.9(4) | B15 | B21 | B20 | 59.8(3) | |
| B7 | B2 | B3 | 108.5(4) | B15 | B21 | B22 | 107.5(3) | |
| B7 | B2 | B8 | 61.0(3) | B16 | B21 | B17 | 59.6(3) | |
| B8 | B2 | B1 | 109.0(4) | B16 | B21 | B20 | 108.1(3) | |
| B8 | B2 | B3 | 60.1(4) | B16 | B21 | B22 | 107.6(4) | |
| Cl3 | B3 | B2 | 120.7(4) | B17 | B21 | B20 | 107.8(4) | |
| Cl3 | B3 | B4 | 120.0(4) | B22 | B21 | B17 | 60.0(3) | |
| Cl3 | B3 | B8 | 124.7(5) | B22 | B21 | B20 | 59.7(3) | |
| Cl3 | B3 | B9 | 125.1(5) | Cl22 | B22 | B17 | 121.6(3) | |
| C1 | B3 | Cl3 | 121.6(4) | Cl22 | B22 | B18 | 120.4(4) | |
| C1 | B3 | B2 | 58.8(4) | Cl22 | B22 | B19 | 120.6(3) | |
| C1 | B3 | B4 | 58.4(4) | Cl22 | B22 | B20 | 122.2(3) | |
| C1 | B3 | B8 | 104.7(4) | Cl22 | B22 | B21 | 122.9(3) | |
| C1 | B3 | B9 | 104.2(4) | B17 | B22 | B18 | 59.9(3) | |
| B4 | B3 | B2 | 107.9(5) | B17 | B22 | B19 | 108.3(4) | |
| B8 | B3 | B2 | 59.4(3) | B18 | B22 | B19 | 60.2(3) | |
| B8 | B3 | B4 | 108.9(4) | B20 | B22 | B17 | 108.5(4) | |
| B9 | B3 | B2 | 107.8(4) | B20 | B22 | B18 | 108.2(4) | |
| B9 | B3 | B4 | 59.9(3) | B20 | B22 | B19 | 60.0(3) | |
| B9 | B3 | B8 | 61.0(3) | B20 | B22 | B21 | 60.5(3) | |
| Cl4 | B4 | B3 | 120.8(4) | B21 | B22 | B17 | 60.0(3) | |
| Cl4 | B4 | B5 | 119.4(4) | B21 | B22 | B18 | 108.0(4) | |
| Cl4 | B4 | B9 | 125.1(4) | B21 | B22 | B19 | 108.5(4) | |
| Cl4 | B4 | B10 | 124.2(4) | B23 | C3 | B26 | 115.3(4) | |
| C1 | B4 | Cl4 | 121.9(4) | B24 | C3 | B23 | 62.3(3) | |
| C1 | B4 | B3 | 58.9(4) | B24 | C3 | B26 | 115.4(4) | |
| C1 | B4 | B5 | 59.0(4) | B25 | C3 | B23 | 114.5(4) | |
| C1 | B4 | B9 | 104.4(4) | B25 | C3 | B24 | 63.4(3) | |
| C1 | B4 | B10 | 104.5(4) | B25 | C3 | B26 | 62.3(3) | |
| B3 | B4 | B5 | 108.9(4) | B27 | C3 | B23 | 63.2(3) | |
| B9 | B4 | B3 | 59.6(3) | B27 | C3 | B24 | 114.7(4) | |
| B9 | B4 | B5 | 108.6(4) | B27 | C3 | B25 | 113.8(4) | |
| B9 | B4 | B10 | 60.8(3) | B27 | C3 | B26 | 62.5(3) | |
| B10 | B4 | B3 | 108.5(4) | Cl23 | B23 | B24 | 120.1(4) | |
| B10 | B4 | B5 | 59.7(3) | Cl23 | B23 | B27 | 120.1(3) | |
| Cl5 | B5 | B1 | 120.5(4) | Cl23 | B23 | B28 | 126.0(3) | |
| Cl5 | B5 | B4 | 120.9(4) | Cl23 | B23 | B29 | 125.8(3) | |
| Cl5 | B5 | B6 | 125.6(5) | C3 | B23 | Cl23 | 120.5(4) | |
| Cl5 | B5 | B10 | 125.8(4) | C3 | B23 | B24 | 58.8(3) | |
| C1 | B5 | Cl5 | 121.8(4) | C3 | B23 | B27 | 57.9(3) | |
| C1 | B5 | B1 | 58.3(4) | C3 | B23 | B28 | 103.8(4) | |
| C1 | B5 | B4 | 58.1(4) | C3 | B23 | B29 | 104.9(3) | |
| C1 | B5 | B6 | 103.4(4) | B24 | B23 | B27 | 107.5(4) | |
| C1 | B5 | B10 | 103.7(5) | B24 | B23 | B28 | 108.3(4) | |
| B4 | B5 | B1 | 107.1(5) | B24 | B23 | B29 | 60.2(3) | |
| B4 | B5 | B6 | 107.5(4) | B28 | B23 | B27 | 59.3(3) | |
| B6 | B5 | B1 | 59.1(3) | B28 | B23 | B29 | 60.8(3) | |
| B10 | B5 | B1 | 107.4(4) | B29 | B23 | B27 | 108.1(4) | |
| B10 | B5 | B4 | 59.6(3) | Cl24 | B24 | B23 | 120.9(3) | |
| B10 | B5 | B6 | 60.4(3) | Cl24 | B24 | B25 | 120.0(3) | |
| Cl6 | B6 | B5 | 121.2(4) | Cl24 | B24 | B29 | 125.8(3) | |
| Cl6 | B6 | B7 | 122.2(4) | Cl24 | B24 | B30 | 125.3(3) | |
| Cl6 | B6 | B10 | 121.8(4) | C3 | B24 | Cl24 | 121.0(3) | |
| Cl6 | B6 | B11 | 122.8(4) | C3 | B24 | B23 | 59.0(3) | |
| B1 | B6 | Cl6 | 121.7(4) | C3 | B24 | B25 | 58.0(3) | |
| B1 | B6 | B5 | 60.7(3) | C3 | B24 | B29 | 104.9(3) | |
| B1 | B6 | B7 | 59.7(4) | C3 | B24 | B30 | 104.0(4) | |
| B1 | B6 | B10 | 107.8(4) | B23 | B24 | B25 | 107.4(4) | |
| B1 | B6 | B11 | 107.0(5) | B23 | B24 | B29 | 60.0(3) | |
| B5 | B6 | B7 | 108.2(4) | B23 | B24 | B30 | 107.9(4) | |
| B5 | B6 | B10 | 59.2(3) | B29 | B24 | B25 | 107.7(4) | |
| B10 | B6 | B7 | 107.8(4) | B30 | B24 | B25 | 59.5(3) | |
| B11 | B6 | B5 | 107.4(4) | B30 | B24 | B29 | 60.3(3) | |
| B11 | B6 | B7 | 59.3(3) | Cl25 | B25 | B24 | 119.4(3) | |
| B11 | B6 | B10 | 60.2(3) | Cl25 | B25 | B26 | 119.6(3) | |
| Cl7 | B7 | B6 | 122.9(4) | Cl25 | B25 | B30 | 124.8(3) | |
| Cl7 | B7 | B8 | 120.6(4) | Cl25 | B25 | B31 | 125.1(3) | |
| B1 | B7 | Cl7 | 121.1(4) | C3 | B25 | Cl25 | 120.8(3) | |
| B1 | B7 | B6 | 59.5(4) | C3 | B25 | B24 | 58.7(3) | |
| B1 | B7 | B8 | 108.7(4) | C3 | B25 | B26 | 59.7(3) | |
| B2 | B7 | Cl7 | 120.1(4) | C3 | B25 | B30 | 104.7(3) | |
| B2 | B7 | B1 | 60.9(4) | C3 | B25 | B31 | 105.5(4) | |
| B2 | B7 | B6 | 108.3(4) | B26 | B25 | B24 | 109.3(4) | |
| B2 | B7 | B8 | 59.6(4) | B30 | B25 | B24 | 59.7(3) | |
| B2 | B7 | B11 | 107.3(4) | B30 | B25 | B26 | 109.3(4) | |
| B8 | B7 | B6 | 108.8(4) | B30 | B25 | B31 | 60.8(3) | |
| B11 | B7 | Cl7 | 123.5(4) | B31 | B25 | B24 | 108.8(4) | |
| B11 | B7 | B1 | 107.5(4) | B31 | B25 | B26 | 60.3(3) | |
| B11 | B7 | B6 | 60.1(3) | Cl26 | B26 | B25 | 120.6(3) | |
| B11 | B7 | B8 | 60.1(3) | Cl26 | B26 | B27 | 121.1(4) | |
| Cl8 | B8 | B2 | 121.6(4) | Cl26 | B26 | B31 | 125.9(4) | |
| Cl8 | B8 | B3 | 121.4(4) | Cl26 | B26 | B32 | 126.3(4) | |
| Cl8 | B8 | B7 | 122.5(4) | C3 | B26 | Cl26 | 121.4(4) | |
| Cl8 | B8 | B9 | 122.5(4) | C3 | B26 | B25 | 58.0(3) | |
| Cl8 | B8 | B11 | 123.4(4) | C3 | B26 | B27 | 57.9(3) | |
| B2 | B8 | B3 | 60.5(4) | C3 | B26 | B31 | 103.8(4) | |
| B2 | B8 | B7 | 59.4(4) | C3 | B26 | B32 | 103.6(4) | |
| B2 | B8 | B9 | 107.2(4) | B25 | B26 | B27 | 106.5(4) | |
| B2 | B8 | B11 | 106.7(5) | B25 | B26 | B31 | 59.8(3) | |
| B3 | B8 | B7 | 107.6(5) | B27 | B26 | B31 | 107.1(4) | |
| B3 | B8 | B9 | 59.1(3) | B32 | B26 | B25 | 107.1(4) | |
| B3 | B8 | B11 | 106.6(4) | B32 | B26 | B27 | 59.6(3) | |
| B7 | B8 | B9 | 107.0(4) | B32 | B26 | B31 | 59.8(3) | |
| B11 | B8 | B7 | 59.5(3) | Cl27 | B27 | B23 | 119.3(4) | |
| B11 | B8 | B9 | 59.4(3) | Cl27 | B27 | B26 | 119.0(4) | |
| Cl9 | B9 | B8 | 120.4(4) | C3 | B27 | Cl27 | 119.4(4) | |
| Cl9 | B9 | B10 | 122.8(4) | C3 | B27 | B23 | 58.9(3) | |
| B3 | B9 | Cl9 | 120.3(4) | C3 | B27 | B26 | 59.6(3) | |
| B3 | B9 | B4 | 60.5(4) | C3 | B27 | B28 | 104.9(4) | |
| B3 | B9 | B8 | 59.9(3) | C3 | B27 | B32 | 105.3(4) | |
| B3 | B9 | B10 | 108.3(4) | B26 | B27 | B23 | 109.3(4) | |
| B3 | B9 | B11 | 107.6(4) | B28 | B27 | Cl27 | 126.0(4) | |
| B4 | B9 | Cl9 | 121.7(3) | B28 | B27 | B23 | 59.9(3) | |
| B4 | B9 | B8 | 108.6(4) | B28 | B27 | B26 | 108.9(4) | |
| B4 | B9 | B10 | 59.7(3) | B28 | B27 | B32 | 60.5(3) | |
| B4 | B9 | B11 | 107.8(4) | B32 | B27 | Cl27 | 126.1(4) | |
| B10 | B9 | B8 | 108.8(4) | B32 | B27 | B23 | 108.6(4) | |
| B11 | B9 | Cl9 | 122.8(4) | B32 | B27 | B26 | 60.0(3) | |
| B11 | B9 | B8 | 59.9(3) | Cl28 | B28 | B29 | 121.3(4) | |
| B11 | B9 | B10 | 60.5(3) | Cl28 | B28 | B33 | 121.4(4) | |
| Cl10 | B10 | B6 | 122.2(4) | B23 | B28 | Cl28 | 121.7(4) | |
| Cl10 | B10 | B9 | 121.4(4) | B23 | B28 | B29 | 59.6(3) | |
| Cl10 | B10 | B11 | 122.4(4) | B23 | B28 | B32 | 108.7(4) | |
| B4 | B10 | Cl10 | 121.6(4) | B23 | B28 | B33 | 107.9(4) | |
| B4 | B10 | B5 | 60.7(4) | B27 | B28 | Cl28 | 122.0(4) | |
| B4 | B10 | B6 | 108.3(4) | B27 | B28 | B23 | 60.8(3) | |
| B4 | B10 | B9 | 59.5(3) | B27 | B28 | B29 | 108.4(4) | |
| B4 | B10 | B11 | 106.8(4) | B27 | B28 | B32 | 59.7(3) | |
| B5 | B10 | Cl10 | 121.6(4) | B27 | B28 | B33 | 107.9(4) | |
| B5 | B10 | B6 | 60.3(3) | B32 | B28 | Cl28 | 121.3(4) | |
| B5 | B10 | B9 | 108.4(4) | B32 | B28 | B29 | 108.7(4) | |
| B5 | B10 | B11 | 107.8(4) | B32 | B28 | B33 | 60.4(3) | |
| B6 | B10 | B11 | 59.7(3) | B33 | B28 | B29 | 60.1(3) | |
| B9 | B10 | B6 | 107.6(4) | Cl29 | B29 | B23 | 122.3(3) | |
| B9 | B10 | B11 | 59.3(3) | Cl29 | B29 | B24 | 122.5(3) | |
| Cl11 | B11 | B6 | 121.3(4) | Cl29 | B29 | B28 | 122.3(3) | |
| Cl11 | B11 | B8 | 121.1(4) | Cl29 | B29 | B30 | 122.4(3) | |
| Cl11 | B11 | B10 | 120.5(4) | Cl29 | B29 | B33 | 121.7(3) | |
| B6 | B11 | B10 | 60.1(3) | B23 | B29 | B24 | 59.8(3) | |
| B7 | B11 | Cl11 | 122.2(3) | B23 | B29 | B28 | 59.5(3) | |
| B7 | B11 | B6 | 60.6(3) | B23 | B29 | B30 | 107.2(4) | |
| B7 | B11 | B8 | 60.4(3) | B23 | B29 | B33 | 107.4(4) | |
| B7 | B11 | B9 | 108.8(4) | B24 | B29 | B28 | 106.9(4) | |
| B7 | B11 | B10 | 108.7(4) | B24 | B29 | B30 | 59.6(3) | |
| B8 | B11 | B6 | 109.4(4) | B24 | B29 | B33 | 107.4(4) | |
| B8 | B11 | B10 | 109.2(4) | B30 | B29 | B28 | 106.8(4) | |
| B9 | B11 | Cl11 | 120.6(4) | B30 | B29 | B33 | 59.7(3) | |
| B9 | B11 | B6 | 108.7(4) | B33 | B29 | B28 | 59.6(3) | |
| B9 | B11 | B8 | 60.7(3) | Cl30 | B30 | B24 | 120.7(3) | |
| B9 | B11 | B10 | 60.2(3) | Cl30 | B30 | B25 | 119.2(3) | |
| B13 | C2 | B12 | 62.8(3) | Cl30 | B30 | B29 | 123.5(3) | |
| B13 | C2 | B14 | 63.1(3) | Cl30 | B30 | B31 | 120.4(3) | |
| B13 | C2 | B15 | 115.0(4) | Cl30 | B30 | B33 | 123.7(3) | |
| B13 | C2 | B16 | 115.0(4) | B24 | B30 | B29 | 60.1(3) | |
| B14 | C2 | B12 | 115.1(4) | B24 | B30 | B31 | 108.7(4) | |
| B14 | C2 | B15 | 62.5(3) | B24 | B30 | B33 | 108.4(3) | |
| B14 | C2 | B16 | 114.8(4) | B25 | B30 | B24 | 60.8(3) | |
| B15 | C2 | B12 | 115.0(3) | B25 | B30 | B29 | 108.6(3) | |
| B16 | C2 | B12 | 62.8(3) | B25 | B30 | B31 | 59.7(3) | |
| B16 | C2 | B15 | 62.9(3) | B25 | B30 | B33 | 107.5(4) | |
| Cl12 | B12 | B13 | 120.3(3) | B29 | B30 | B31 | 108.6(3) | |
| Cl12 | B12 | B16 | 120.0(3) | B33 | B30 | B29 | 60.4(3) | |
| Cl12 | B12 | B17 | 125.9(3) | B33 | B30 | B31 | 59.7(3) | |
| Cl12 | B12 | B18 | 126.2(4) | Cl31 | B31 | B25 | 122.2(3) | |
| C2 | B12 | Cl12 | 121.0(3) | Cl31 | B31 | B26 | 121.8(4) | |
| C2 | B12 | B13 | 58.2(3) | Cl31 | B31 | B30 | 121.6(3) | |
| C2 | B12 | B16 | 58.3(3) | Cl31 | B31 | B32 | 122.2(3) | |
| C2 | B12 | B17 | 103.8(3) | Cl31 | B31 | B33 | 121.5(4) | |
| C2 | B12 | B18 | 103.7(3) | B25 | B31 | B26 | 59.9(3) | |
| B13 | B12 | B16 | 107.5(3) | B25 | B31 | B30 | 59.5(3) | |
| B17 | B12 | B13 | 107.9(4) | B25 | B31 | B33 | 107.3(4) | |
| B17 | B12 | B16 | 59.7(3) | B26 | B31 | B30 | 107.9(4) | |
| B18 | B12 | B13 | 59.6(3) | B32 | B31 | B25 | 107.2(4) | |
| B18 | B12 | B16 | 107.9(4) | B32 | B31 | B26 | 59.8(3) | |
| B18 | B12 | B17 | 60.6(3) | B32 | B31 | B30 | 107.8(4) | |
| Cl13 | B13 | B12 | 120.2(3) | B32 | B31 | B33 | 60.5(3) | |
| Cl13 | B13 | B14 | 120.3(3) | B33 | B31 | B26 | 108.5(4) | |
| Cl13 | B13 | B18 | 125.6(3) | B33 | B31 | B30 | 59.7(3) | |
| Cl13 | B13 | B19 | 124.8(3) | Cl32 | B32 | B26 | 120.4(4) | |
| C2 | B13 | Cl13 | 121.3(3) | Cl32 | B32 | B28 | 122.2(3) | |
| C2 | B13 | B12 | 59.0(3) | Cl32 | B32 | B31 | 121.3(4) | |
| C2 | B13 | B14 | 58.5(3) | Cl32 | B32 | B33 | 122.3(4) | |
| C2 | B13 | B18 | 104.3(3) | B26 | B32 | B28 | 108.6(4) | |
| C2 | B13 | B19 | 104.5(3) | B26 | B32 | B31 | 60.4(3) | |
| B12 | B13 | B14 | 108.1(3) | B26 | B32 | B33 | 108.4(4) | |
| B18 | B13 | B12 | 59.6(3) | B27 | B32 | Cl32 | 121.8(4) | |
| B18 | B13 | B14 | 107.8(3) | B27 | B32 | B26 | 60.4(3) | |
| B18 | B13 | B19 | 60.8(3) | B27 | B32 | B28 | 59.7(3) | |
| B19 | B13 | B12 | 108.7(3) | B27 | B32 | B31 | 108.1(4) | |
| B19 | B13 | B14 | 59.5(3) | B27 | B32 | B33 | 107.6(4) | |
| Cl14 | B14 | B13 | 121.3(3) | B28 | B32 | B33 | 60.0(3) | |
| Cl14 | B14 | B15 | 119.9(3) | B31 | B32 | B28 | 108.1(4) | |
| Cl14 | B14 | B19 | 123.9(3) | B31 | B32 | B33 | 59.9(3) | |
| Cl14 | B14 | B20 | 123.3(3) | Cl33 | B33 | B28 | 122.4(3) | |
| C2 | B14 | Cl14 | 122.7(3) | Cl33 | B33 | B29 | 120.9(3) | |
| C2 | B14 | B13 | 58.4(3) | Cl33 | B33 | B30 | 121.4(3) | |
| C2 | B14 | B15 | 58.9(3) | Cl33 | B33 | B31 | 121.5(4) | |
| C2 | B14 | B19 | 104.9(3) | Cl33 | B33 | B32 | 122.5(4) | |
| C2 | B14 | B20 | 105.1(3) | B28 | B33 | B29 | 60.3(3) | |
| B15 | B14 | B13 | 108.2(3) | B28 | B33 | B32 | 59.6(3) | |
| B19 | B14 | B13 | 60.0(3) | B30 | B33 | B28 | 107.5(4) | |
| B19 | B14 | B15 | 108.9(4) | B30 | B33 | B29 | 59.9(3) | |
| B19 | B14 | B20 | 60.7(3) | B30 | B33 | B32 | 107.7(4) | |
| B20 | B14 | B13 | 108.5(4) | B31 | B33 | B28 | 107.6(4) | |
| B20 | B14 | B15 | 60.3(3) | B31 | B33 | B29 | 108.8(4) | |
| Cl15 | B15 | B14 | 120.3(3) | B31 | B33 | B30 | 60.5(3) | |
| Cl15 | B15 | B16 | 119.7(3) | B31 | B33 | B32 | 59.6(3) | |
| Cl15 | B15 | B20 | 125.8(3) | B32 | B33 | B29 | 108.3(4) | |
| Cl15 | B15 | B21 | 125.5(3) | F1 | C4 | C5 | 118.7(6) | |
| C2 | B15 | Cl15 | 120.7(4) | C9 | C4 | F1 | 120.4(6) | |
| C2 | B15 | B14 | 58.6(3) | C9 | C4 | C5 | 120.9(6) | |
| C2 | B15 | B16 | 58.4(3) | F2 | C5 | C4 | 118.0(6) | |
| C2 | B15 | B20 | 104.4(3) | C6 | C5 | F2 | 120.9(6) | |
| C2 | B15 | B21 | 104.4(4) | C6 | C5 | C4 | 121.1(6) | |
| B14 | B15 | B16 | 107.9(3) | C5 | C6 | C7 | 118.8(6) | |
| B14 | B15 | B20 | 59.7(3) | C8 | C7 | C6 | 119.5(6) | |
| B20 | B15 | B16 | 108.4(4) | C9 | C8 | C7 | 120.7(6) | |
| B21 | B15 | B14 | 108.2(4) | C4 | C9 | C8 | 119.0(6) | |
| B21 | B15 | B16 | 59.9(3) | F3 | C10 | C11 | 118.1(8) | |
| B21 | B15 | B20 | 60.7(3) | C15 | C10 | F3 | 121.4(8) | |
| Cl16 | B16 | B12 | 120.2(3) | C15 | C10 | C11 | 120.5(7) | |
| Cl16 | B16 | B15 | 120.7(4) | F4 | C11 | C10 | 117.7(7) | |
| Cl16 | B16 | B17 | 124.7(3) | F4 | C11 | C12 | 121.8(7) | |
| Cl16 | B16 | B21 | 124.7(3) | C12 | C11 | C10 | 120.5(7) | |
| C2 | B16 | Cl16 | 122.2(4) | C11 | C12 | C13 | 118.8(7) | |
| C2 | B16 | B12 | 58.9(3) | C14 | C13 | C12 | 120.9(8) | |
| C2 | B16 | B15 | 58.7(3) | C13 | C14 | C15 | 119.5(8) | |
| C2 | B16 | B17 | 104.3(3) | C10 | C15 | C14 | 119.7(8) | |
| C2 | B16 | B21 | 104.4(3) | C17 | C16 | F5 | 118.1(5) | |
| B15 | B16 | B12 | 108.3(3) | C17 | C16 | C21 | 121.0(6) | |
| B17 | B16 | B12 | 59.7(3) | C21 | C16 | F5 | 120.9(6) | |
| B17 | B16 | B15 | 107.9(4) | C16 | C17 | F6 | 117.8(6) | |
| B17 | B16 | B21 | 60.3(3) | C16 | C17 | C18 | 121.1(6) | |
| B21 | B16 | B12 | 108.2(4) | C18 | C17 | F6 | 121.1(6) | |
| B21 | B16 | B15 | 59.7(3) | C17 | C18 | C19 | 118.8(6) | |
| Cl17 | B17 | B16 | 121.5(4) | C20 | C19 | C18 | 120.1(6) | |
| Cl17 | B17 | B18 | 121.7(4) | C19 | C20 | C21 | 120.1(6) | |
| Cl17 | B17 | B21 | 122.0(3) | C16 | C21 | C20 | 118.9(6) | |
| Cl17 | B17 | B22 | 122.3(4) |
| D | H | A | d(D-H)/Å | d(H-A)/Å | d(D-A)/Å | D-H-A/° |
|---|---|---|---|---|---|---|
| O1 | H1A | F1 | 0.87 | 1.95 | 2.745(6) | 151.6 |
| O1 | H1B | Cl13 | 0.87 | 2.93 | 3.337(4) | 110.6 |
| O1 | H1B | Cl141 | 0.87 | 2.63 | 3.272(4) | 131.7 |
| O2 | H2A | F2 | 0.88 | 2.05 | 2.829(7) | 147.0 |
| O2 | H2B | Cl322 | 0.88 | 2.54 | 3.271(5) | 141.1 |
| O3 | H3A | Cl10 | 0.88 | 2.47 | 3.326(4) | 166.2 |
| O3 | H3B | Cl141 | 0.88 | 2.82 | 3.433(5) | 128.8 |
| O4 | H4A | F6 | 0.87 | 1.99 | 2.854(6) | 175.4 |
| O4 | H4B | Cl272 | 0.87 | 2.55 | 3.247(5) | 137.9 |
| O5 | H5A | Cl9 | 0.87 | 2.82 | 3.304(5) | 116.2 |
| O5 | H5A | F5 | 0.87 | 2.29 | 3.105(6) | 155.3 |
| O5 | H5B | Cl63 | 0.87 | 2.60 | 3.385(5) | 150.5 |
| O6 | H6A | Cl254 | 0.87 | 2.51 | 3.328(4) | 156.8 |
| O6 | H6B | Cl18 | 0.87 | 2.91 | 3.612(5) | 139.1 |
| O6 | H6B | Cl19 | 0.87 | 2.70 | 3.373(4) | 135.5 |
| O7 | H7A | Cl73 | 0.96 | 2.63 | 3.532(7) | 156.6 |
| O7 | H7B | Cl314 | 0.96 | 2.59 | 3.224(4) | 124.1 |
| O8 | H8A | Cl214 | 0.89 | 2.78 | 3.319(5) | 120.2 |
| O8 | H8A | F6 | 0.89 | 2.17 | 2.893(6) | 137.2 |
| O8 | H8B | Cl73 | 0.89 | 2.44 | 3.295(6) | 162.3 |
| A | B | C | D | Angle/˚ | A | B | C | D | Angle/˚ | |
|---|---|---|---|---|---|---|---|---|---|---|
| Cl1 | B1 | B2 | Cl2 | 2.6(6) | B14 | B13 | B19 | B18 | 137.3(4) | |
| Cl1 | B1 | B2 | C1 | -109.3(5) | B14 | B13 | B19 | B20 | 37.3(3) | |
| Cl1 | B1 | B2 | B3 | -142.0(4) | B14 | B13 | B19 | B22 | 100.2(4) | |
| Cl1 | B1 | B2 | B7 | 116.7(5) | B14 | B15 | B16 | Cl16 | -144.1(4) | |
| Cl1 | B1 | B2 | B8 | 154.3(4) | B14 | B15 | B16 | C2 | -32.8(3) | |
| Cl1 | B1 | B5 | Cl5 | -1.5(8) | B14 | B15 | B16 | B12 | 0.2(5) | |
| Cl1 | B1 | B5 | C1 | 109.3(5) | B14 | B15 | B16 | B17 | 63.4(4) | |
| Cl1 | B1 | B5 | B4 | 142.2(5) | B14 | B15 | B16 | B21 | 101.1(4) | |
| Cl1 | B1 | B5 | B6 | -117.3(6) | B14 | B15 | B20 | Cl20 | 109.9(4) | |
| Cl1 | B1 | B5 | B10 | -155.1(5) | B14 | B15 | B20 | B19 | -37.0(3) | |
| Cl1 | B1 | B6 | Cl6 | -3.9(8) | B14 | B15 | B20 | B21 | -138.0(4) | |
| Cl1 | B1 | B6 | B5 | 106.7(6) | B14 | B15 | B20 | B22 | -100.6(4) | |
| Cl1 | B1 | B6 | B7 | -115.3(5) | B14 | B15 | B21 | Cl21 | 148.4(3) | |
| Cl1 | B1 | B6 | B10 | 144.1(5) | B14 | B15 | B21 | B16 | -100.6(4) | |
| Cl1 | B1 | B6 | B11 | -152.5(4) | B14 | B15 | B21 | B17 | -63.2(4) | |
| Cl1 | B1 | B7 | Cl7 | 3.2(8) | B14 | B15 | B21 | B20 | 37.4(3) | |
| Cl1 | B1 | B7 | B2 | -106.3(6) | B14 | B15 | B21 | B22 | 0.1(5) | |
| Cl1 | B1 | B7 | B6 | 115.6(6) | B14 | B19 | B20 | Cl20 | -110.1(4) | |
| Cl1 | B1 | B7 | B8 | -143.2(5) | B14 | B19 | B20 | B15 | 37.1(3) | |
| Cl1 | B1 | B7 | B11 | 153.2(5) | B14 | B19 | B20 | B21 | 100.0(4) | |
| Cl2 | B2 | B3 | Cl3 | -0.8(8) | B14 | B19 | B20 | B22 | 137.2(4) | |
| Cl2 | B2 | B3 | C1 | -111.4(5) | B14 | B19 | B22 | Cl22 | -149.7(3) | |
| Cl2 | B2 | B3 | B4 | -144.3(5) | B14 | B19 | B22 | B17 | 63.5(4) | |
| Cl2 | B2 | B3 | B8 | 114.0(6) | B14 | B19 | B22 | B18 | 100.5(4) | |
| Cl2 | B2 | B3 | B9 | 152.5(4) | B14 | B19 | B22 | B20 | -37.8(3) | |
| Cl2 | B2 | B7 | Cl7 | -3.4(8) | B14 | B19 | B22 | B21 | -0.2(5) | |
| Cl2 | B2 | B7 | B1 | 107.8(6) | B14 | B20 | B21 | Cl21 | -147.3(4) | |
| Cl2 | B2 | B7 | B6 | 145.1(5) | B14 | B20 | B21 | B15 | -37.4(3) | |
| Cl2 | B2 | B7 | B8 | -113.4(6) | B14 | B20 | B21 | B16 | 0.2(5) | |
| Cl2 | B2 | B7 | B11 | -151.4(5) | B14 | B20 | B21 | B17 | 63.3(5) | |
| Cl2 | B2 | B8 | Cl8 | 1.5(7) | B14 | B20 | B21 | B22 | 100.5(4) | |
| Cl2 | B2 | B8 | B3 | -109.3(6) | B14 | B20 | B22 | Cl22 | 147.2(3) | |
| Cl2 | B2 | B8 | B7 | 113.2(5) | B14 | B20 | B22 | B17 | -63.1(4) | |
| Cl2 | B2 | B8 | B9 | -146.9(4) | B14 | B20 | B22 | B18 | 0.4(5) | |
| Cl2 | B2 | B8 | B11 | 150.7(4) | B14 | B20 | B22 | B19 | 37.9(3) | |
| Cl3 | B3 | B4 | Cl4 | 0.3(7) | B14 | B20 | B22 | B21 | -100.4(4) | |
| Cl3 | B3 | B4 | C1 | -110.8(5) | B15 | C2 | B12 | Cl12 | 144.7(3) | |
| Cl3 | B3 | B4 | B5 | -143.4(5) | B15 | C2 | B12 | B13 | -106.6(4) | |
| Cl3 | B3 | B4 | B9 | 115.6(6) | B15 | C2 | B12 | B16 | 36.4(4) | |
| Cl3 | B3 | B4 | B10 | 153.2(4) | B15 | C2 | B12 | B17 | -3.8(5) | |
| Cl3 | B3 | B8 | Cl8 | -3.0(7) | B15 | C2 | B12 | B18 | -66.4(4) | |
| Cl3 | B3 | B8 | B2 | 108.1(5) | B15 | C2 | B13 | Cl13 | -144.7(3) | |
| Cl3 | B3 | B8 | B7 | 145.8(5) | B15 | C2 | B13 | B12 | 106.5(4) | |
| Cl3 | B3 | B8 | B9 | -114.6(6) | B15 | C2 | B13 | B14 | -36.1(3) | |
| Cl3 | B3 | B8 | B11 | -151.7(4) | B15 | C2 | B13 | B18 | 66.3(4) | |
| Cl3 | B3 | B9 | Cl9 | 4.2(7) | B15 | C2 | B13 | B19 | 3.3(5) | |
| Cl3 | B3 | B9 | B4 | -107.4(5) | B15 | C2 | B14 | Cl14 | -107.7(4) | |
| Cl3 | B3 | B9 | B8 | 114.0(6) | B15 | C2 | B14 | B13 | 143.0(4) | |
| Cl3 | B3 | B9 | B10 | -144.5(4) | B15 | C2 | B14 | B19 | 103.4(4) | |
| Cl3 | B3 | B9 | B11 | 151.6(4) | B15 | C2 | B14 | B20 | 40.3(3) | |
| Cl4 | B4 | B5 | Cl5 | -1.2(6) | B15 | C2 | B16 | Cl16 | 108.9(4) | |
| Cl4 | B4 | B5 | C1 | -111.7(4) | B15 | C2 | B16 | B12 | -142.8(4) | |
| Cl4 | B4 | B5 | B1 | -144.7(4) | B15 | C2 | B16 | B17 | -102.5(4) | |
| Cl4 | B4 | B5 | B6 | 153.1(4) | B15 | C2 | B16 | B21 | -40.0(3) | |
| Cl4 | B4 | B5 | B10 | 114.8(4) | B15 | B14 | B19 | Cl19 | -148.3(3) | |
| Cl4 | B4 | B9 | Cl9 | -1.2(7) | B15 | B14 | B19 | B13 | 100.5(4) | |
| Cl4 | B4 | B9 | B3 | 108.2(5) | B15 | B14 | B19 | B18 | 62.9(4) | |
| Cl4 | B4 | B9 | B8 | 145.3(4) | B15 | B14 | B19 | B20 | -37.5(3) | |
| Cl4 | B4 | B9 | B10 | -113.3(5) | B15 | B14 | B19 | B22 | 0.2(5) | |
| Cl4 | B4 | B9 | B11 | -151.3(4) | B15 | B14 | B20 | Cl20 | -111.5(4) | |
| Cl4 | B4 | B10 | Cl10 | 4.3(7) | B15 | B14 | B20 | B19 | 138.4(4) | |
| Cl4 | B4 | B10 | B5 | -106.8(5) | B15 | B14 | B20 | B21 | 37.2(3) | |
| Cl4 | B4 | B10 | B6 | -145.3(5) | B15 | B14 | B20 | B22 | 100.2(4) | |
| Cl4 | B4 | B10 | B9 | 114.6(5) | B15 | B16 | B17 | Cl17 | 148.8(3) | |
| Cl4 | B4 | B10 | B11 | 151.8(4) | B15 | B16 | B17 | B12 | -101.2(4) | |
| Cl5 | B5 | B6 | Cl6 | 4.0(7) | B15 | B16 | B17 | B18 | -63.6(4) | |
| Cl5 | B5 | B6 | B1 | -107.4(5) | B15 | B16 | B17 | B21 | 37.4(3) | |
| Cl5 | B5 | B6 | B7 | -144.9(4) | B15 | B16 | B17 | B22 | -0.1(4) | |
| Cl5 | B5 | B6 | B10 | 114.8(5) | B15 | B16 | B21 | Cl21 | 110.1(4) | |
| Cl5 | B5 | B6 | B11 | 152.5(4) | B15 | B16 | B21 | B17 | -137.9(4) | |
| Cl5 | B5 | B10 | Cl10 | -3.0(7) | B15 | B16 | B21 | B20 | -37.4(3) | |
| Cl5 | B5 | B10 | B4 | 108.2(5) | B15 | B16 | B21 | B22 | -100.5(4) | |
| Cl5 | B5 | B10 | B6 | -114.6(6) | B15 | B20 | B21 | Cl21 | -109.8(4) | |
| Cl5 | B5 | B10 | B9 | 145.1(5) | B15 | B20 | B21 | B16 | 37.7(3) | |
| Cl5 | B5 | B10 | B11 | -152.2(5) | B15 | B20 | B21 | B17 | 100.7(4) | |
| Cl6 | B6 | B7 | Cl7 | -1.0(7) | B15 | B20 | B21 | B22 | 137.9(4) | |
| Cl6 | B6 | B7 | B1 | -110.5(5) | B15 | B20 | B22 | Cl22 | -149.6(3) | |
| Cl6 | B6 | B7 | B2 | -148.5(4) | B15 | B20 | B22 | B17 | 0.1(4) | |
| Cl6 | B6 | B7 | B8 | 148.3(4) | B15 | B20 | B22 | B18 | 63.6(4) | |
| Cl6 | B6 | B7 | B11 | 111.7(5) | B15 | B20 | B22 | B19 | 101.1(4) | |
| Cl6 | B6 | B10 | Cl10 | -0.8(7) | B15 | B20 | B22 | B21 | -37.2(3) | |
| Cl6 | B6 | B10 | B4 | 148.5(4) | B15 | B21 | B22 | Cl22 | 148.7(4) | |
| Cl6 | B6 | B10 | B5 | 109.9(5) | B15 | B21 | B22 | B17 | -100.9(4) | |
| Cl6 | B6 | B10 | B9 | -148.6(4) | B15 | B21 | B22 | B18 | -63.7(4) | |
| Cl6 | B6 | B10 | B11 | -112.3(5) | B15 | B21 | B22 | B19 | 0.0(5) | |
| Cl6 | B6 | B11 | Cl11 | 1.0(6) | B15 | B21 | B22 | B20 | 37.4(3) | |
| Cl6 | B6 | B11 | B7 | -110.9(5) | B16 | C2 | B12 | Cl12 | 108.3(4) | |
| Cl6 | B6 | B11 | B8 | -147.8(4) | B16 | C2 | B12 | B13 | -143.0(4) | |
| Cl6 | B6 | B11 | B9 | 147.6(4) | B16 | C2 | B12 | B17 | -40.2(3) | |
| Cl6 | B6 | B11 | B10 | 110.7(5) | B16 | C2 | B12 | B18 | -102.8(4) | |
| Cl7 | B7 | B8 | Cl8 | 1.1(6) | B16 | C2 | B13 | Cl13 | 145.0(3) | |
| Cl7 | B7 | B8 | B2 | -109.1(5) | B16 | C2 | B13 | B12 | 36.2(4) | |
| Cl7 | B7 | B8 | B3 | -147.2(4) | B16 | C2 | B13 | B14 | -106.4(4) | |
| Cl7 | B7 | B8 | B9 | 150.6(4) | B16 | C2 | B13 | B18 | -4.1(5) | |
| Cl7 | B7 | B8 | B11 | 113.5(4) | B16 | C2 | B13 | B19 | -67.1(4) | |
| Cl7 | B7 | B11 | Cl11 | 1.3(7) | B16 | C2 | B14 | Cl14 | -144.0(4) | |
| Cl7 | B7 | B11 | B6 | 111.7(5) | B16 | C2 | B14 | B13 | 106.8(4) | |
| Cl7 | B7 | B11 | B8 | -108.9(5) | B16 | C2 | B14 | B15 | -36.3(4) | |
| Cl7 | B7 | B11 | B9 | -146.9(4) | B16 | C2 | B14 | B19 | 67.1(4) | |
| Cl7 | B7 | B11 | B10 | 149.1(4) | B16 | C2 | B14 | B20 | 4.1(5) | |
| Cl8 | B8 | B9 | Cl9 | -0.2(6) | B16 | C2 | B15 | Cl15 | -108.1(4) | |
| Cl8 | B8 | B9 | B3 | -109.8(5) | B16 | C2 | B15 | B14 | 142.9(4) | |
| Cl8 | B8 | B9 | B4 | -147.2(4) | B16 | C2 | B15 | B20 | 103.0(4) | |
| Cl8 | B8 | B9 | B10 | 149.4(4) | B16 | C2 | B15 | B21 | 40.1(3) | |
| Cl8 | B8 | B9 | B11 | 112.5(5) | B16 | B12 | B13 | Cl13 | -143.0(4) | |
| Cl8 | B8 | B11 | Cl11 | -0.9(6) | B16 | B12 | B13 | C2 | -32.5(3) | |
| Cl8 | B8 | B11 | B6 | 148.0(4) | B16 | B12 | B13 | B14 | 0.6(5) | |
| Cl8 | B8 | B11 | B7 | 111.0(5) | B16 | B12 | B13 | B18 | 100.9(4) | |
| Cl8 | B8 | B11 | B9 | -110.9(5) | B16 | B12 | B13 | B19 | 63.6(5) | |
| Cl8 | B8 | B11 | B10 | -147.9(4) | B16 | B12 | B17 | Cl17 | 111.3(4) | |
| Cl9 | B9 | B10 | Cl10 | 0.4(6) | B16 | B12 | B17 | B18 | -137.7(4) | |
| Cl9 | B9 | B10 | B4 | -110.3(4) | B16 | B12 | B17 | B21 | -37.2(3) | |
| Cl9 | B9 | B10 | B5 | -147.7(4) | B16 | B12 | B17 | B22 | -100.8(4) | |
| Cl9 | B9 | B10 | B6 | 148.5(4) | B16 | B12 | B18 | Cl18 | 149.1(3) | |
| Cl9 | B9 | B10 | B11 | 112.0(4) | B16 | B12 | B18 | B13 | -100.1(4) | |
| Cl9 | B9 | B11 | Cl11 | -2.1(6) | B16 | B12 | B18 | B17 | 37.7(3) | |
| Cl9 | B9 | B11 | B6 | -148.9(4) | B16 | B12 | B18 | B19 | -63.1(4) | |
| Cl9 | B9 | B11 | B7 | 146.7(4) | B16 | B12 | B18 | B22 | 0.8(5) | |
| Cl9 | B9 | B11 | B8 | 108.8(5) | B16 | B15 | B20 | Cl20 | -149.7(3) | |
| Cl9 | B9 | B11 | B10 | -112.0(5) | B16 | B15 | B20 | B14 | 100.4(4) | |
| Cl10 | B10 | B11 | Cl11 | -0.1(6) | B16 | B15 | B20 | B19 | 63.4(4) | |
| Cl10 | B10 | B11 | B6 | -111.0(5) | B16 | B15 | B20 | B21 | -37.6(3) | |
| Cl10 | B10 | B11 | B7 | -148.6(4) | B16 | B15 | B20 | B22 | -0.2(4) | |
| Cl10 | B10 | B11 | B8 | 147.1(4) | B16 | B15 | B21 | Cl21 | -111.0(4) | |
| Cl10 | B10 | B11 | B9 | 110.0(5) | B16 | B15 | B21 | B17 | 37.4(3) | |
| C1 | B1 | B2 | Cl2 | 111.9(5) | B16 | B15 | B21 | B20 | 138.0(4) | |
| C1 | B1 | B2 | B3 | -32.7(4) | B16 | B15 | B21 | B22 | 100.7(4) | |
| C1 | B1 | B2 | B7 | -134.0(4) | B16 | B17 | B18 | Cl18 | -149.2(4) | |
| C1 | B1 | B2 | B8 | -96.4(4) | B16 | B17 | B18 | B12 | -38.1(3) | |
| C1 | B1 | B5 | Cl5 | -110.8(5) | B16 | B17 | B18 | B13 | 0.1(5) | |
| C1 | B1 | B5 | B4 | 32.9(4) | B16 | B17 | B18 | B19 | 63.7(4) | |
| C1 | B1 | B5 | B6 | 133.4(5) | B16 | B17 | B18 | B22 | 100.8(4) | |
| C1 | B1 | B5 | B10 | 95.6(5) | B16 | B17 | B21 | Cl21 | 110.0(4) | |
| C1 | B1 | B6 | Cl6 | -150.4(4) | B16 | B17 | B21 | B15 | -37.7(3) | |
| C1 | B1 | B6 | B5 | -39.8(4) | B16 | B17 | B21 | B20 | -100.9(4) | |
| C1 | B1 | B6 | B7 | 98.2(5) | B16 | B17 | B21 | B22 | -138.0(4) | |
| C1 | B1 | B6 | B10 | -2.5(6) | B16 | B17 | B22 | Cl22 | 149.9(3) | |
| C1 | B1 | B6 | B11 | 60.9(5) | B16 | B17 | B22 | B18 | -100.7(4) | |
| C1 | B1 | B7 | Cl7 | 148.7(4) | B16 | B17 | B22 | B19 | -63.6(4) | |
| C1 | B1 | B7 | B2 | 39.2(4) | B16 | B17 | B22 | B20 | 0.0(4) | |
| C1 | B1 | B7 | B6 | -98.9(4) | B16 | B17 | B22 | B21 | 37.6(3) | |
| C1 | B1 | B7 | B8 | 2.3(5) | B16 | B21 | B22 | Cl22 | -147.7(4) | |
| C1 | B1 | B7 | B11 | -61.3(5) | B16 | B21 | B22 | B17 | -37.3(3) | |
| C1 | B2 | B3 | Cl3 | 110.6(5) | B16 | B21 | B22 | B18 | -0.1(5) | |
| C1 | B2 | B3 | B4 | -32.9(4) | B16 | B21 | B22 | B19 | 63.6(4) | |
| C1 | B2 | B3 | B8 | -134.7(5) | B16 | B21 | B22 | B20 | 101.0(4) | |
| C1 | B2 | B3 | B9 | -96.1(5) | B17 | B12 | B13 | Cl13 | 154.0(3) | |
| C1 | B2 | B7 | Cl7 | -150.6(4) | B17 | B12 | B13 | C2 | -95.4(4) | |
| C1 | B2 | B7 | B1 | -39.3(4) | B17 | B12 | B13 | B14 | -62.4(4) | |
| C1 | B2 | B7 | B6 | -2.0(6) | B17 | B12 | B13 | B18 | 37.9(3) | |
| C1 | B2 | B7 | B8 | 99.4(5) | B17 | B12 | B13 | B19 | 0.6(5) | |
| C1 | B2 | B7 | B11 | 61.4(6) | B17 | B12 | B16 | Cl16 | -115.0(4) | |
| C1 | B2 | B8 | Cl8 | 149.8(4) | B17 | B12 | B16 | C2 | 133.4(4) | |
| C1 | B2 | B8 | B3 | 38.9(4) | B17 | B12 | B16 | B15 | 100.5(4) | |
| C1 | B2 | B8 | B7 | -98.5(5) | B17 | B12 | B16 | B21 | 37.2(3) | |
| C1 | B2 | B8 | B9 | 1.4(6) | B17 | B12 | B18 | Cl18 | 111.4(4) | |
| C1 | B2 | B8 | B11 | -61.0(5) | B17 | B12 | B18 | B13 | -137.8(4) | |
| C1 | B3 | B4 | Cl4 | 111.1(5) | B17 | B12 | B18 | B19 | -100.8(4) | |
| C1 | B3 | B4 | B5 | -32.7(4) | B17 | B12 | B18 | B22 | -36.9(3) | |
| C1 | B3 | B4 | B9 | -133.6(4) | B17 | B16 | B21 | Cl21 | -111.9(4) | |
| C1 | B3 | B4 | B10 | -96.0(4) | B17 | B16 | B21 | B15 | 137.9(4) | |
| C1 | B3 | B8 | Cl8 | -150.1(4) | B17 | B16 | B21 | B20 | 100.5(4) | |
| C1 | B3 | B8 | B2 | -38.9(4) | B17 | B16 | B21 | B22 | 37.5(3) | |
| C1 | B3 | B8 | B7 | -1.3(5) | B17 | B18 | B19 | Cl19 | 148.6(4) | |
| C1 | B3 | B8 | B9 | 98.4(4) | B17 | B18 | B19 | B13 | -101.0(4) | |
| C1 | B3 | B8 | B11 | 61.2(5) | B17 | B18 | B19 | B14 | -62.8(4) | |
| C1 | B3 | B9 | Cl9 | 151.1(4) | B17 | B18 | B19 | B20 | 0.0(5) | |
| C1 | B3 | B9 | B4 | 39.5(4) | B17 | B18 | B19 | B22 | 37.0(4) | |
| C1 | B3 | B9 | B8 | -99.1(4) | B17 | B18 | B22 | Cl22 | 111.2(4) | |
| C1 | B3 | B9 | B10 | 2.5(5) | B17 | B18 | B22 | B19 | -138.7(4) | |
| C1 | B3 | B9 | B11 | -61.4(5) | B17 | B18 | B22 | B20 | -101.3(4) | |
| C1 | B4 | B5 | Cl5 | 110.5(5) | B17 | B18 | B22 | B21 | -37.3(3) | |
| C1 | B4 | B5 | B1 | -33.0(4) | B17 | B21 | B22 | Cl22 | -110.3(4) | |
| C1 | B4 | B5 | B6 | -95.2(4) | B17 | B21 | B22 | B18 | 37.2(3) | |
| C1 | B4 | B5 | B10 | -133.5(4) | B17 | B21 | B22 | B19 | 101.0(4) | |
| C1 | B4 | B9 | Cl9 | -149.2(4) | B17 | B21 | B22 | B20 | 138.3(4) | |
| C1 | B4 | B9 | B3 | -39.7(4) | B18 | B12 | B13 | Cl13 | 116.1(4) | |
| C1 | B4 | B9 | B8 | -2.6(6) | B18 | B12 | B13 | C2 | -133.4(4) | |
| C1 | B4 | B9 | B10 | 98.8(4) | B18 | B12 | B13 | B14 | -100.4(4) | |
| C1 | B4 | B9 | B11 | 60.8(5) | B18 | B12 | B13 | B19 | -37.3(3) | |
| C1 | B4 | B10 | Cl10 | 151.1(4) | B18 | B12 | B16 | Cl16 | -153.1(4) | |
| C1 | B4 | B10 | B5 | 40.0(4) | B18 | B12 | B16 | C2 | 95.3(4) | |
| C1 | B4 | B10 | B6 | 1.5(6) | B18 | B12 | B16 | B15 | 62.4(5) | |
| C1 | B4 | B10 | B9 | -98.6(4) | B18 | B12 | B16 | B17 | -38.1(3) | |
| C1 | B4 | B10 | B11 | -61.4(5) | B18 | B12 | B16 | B21 | -0.8(5) | |
| C1 | B5 | B6 | Cl6 | 150.9(4) | B18 | B12 | B17 | Cl17 | -111.0(4) | |
| C1 | B5 | B6 | B1 | 39.5(4) | B18 | B12 | B17 | B16 | 137.7(4) | |
| C1 | B5 | B6 | B7 | 2.0(5) | B18 | B12 | B17 | B21 | 100.4(4) | |
| C1 | B5 | B6 | B10 | -98.3(5) | B18 | B12 | B17 | B22 | 36.8(4) | |
| C1 | B5 | B6 | B11 | -60.7(5) | B18 | B13 | B14 | Cl14 | 152.2(3) | |
| C1 | B5 | B10 | Cl10 | -150.5(4) | B18 | B13 | B14 | C2 | -96.2(4) | |
| C1 | B5 | B10 | B4 | -39.3(4) | B18 | B13 | B14 | B15 | -63.4(5) | |
| C1 | B5 | B10 | B6 | 97.9(4) | B18 | B13 | B14 | B19 | 38.5(3) | |
| C1 | B5 | B10 | B9 | -2.4(5) | B18 | B13 | B14 | B20 | 0.6(5) | |
| C1 | B5 | B10 | B11 | 60.3(5) | B18 | B13 | B19 | Cl19 | 111.4(4) | |
| B1 | C1 | B2 | Cl2 | -107.8(6) | B18 | B13 | B19 | B14 | -137.3(4) | |
| B1 | C1 | B2 | B3 | 143.0(4) | B18 | B13 | B19 | B20 | -99.9(4) | |
| B1 | C1 | B2 | B7 | 40.0(4) | B18 | B13 | B19 | B22 | -37.1(3) | |
| B1 | C1 | B2 | B8 | 103.3(5) | B18 | B17 | B21 | Cl21 | -149.3(4) | |
| B1 | C1 | B3 | Cl3 | -145.4(4) | B18 | B17 | B21 | B15 | 62.9(5) | |
| B1 | C1 | B3 | B2 | -36.2(4) | B18 | B17 | B21 | B16 | 100.6(4) | |
| B1 | C1 | B3 | B4 | 106.5(5) | B18 | B17 | B21 | B20 | -0.3(5) | |
| B1 | C1 | B3 | B8 | 3.0(6) | B18 | B17 | B21 | B22 | -37.3(3) | |
| B1 | C1 | B3 | B9 | 66.2(5) | B18 | B17 | B22 | Cl22 | -109.3(4) | |
| B1 | C1 | B4 | Cl4 | 144.4(5) | B18 | B17 | B22 | B19 | 37.1(3) | |
| B1 | C1 | B4 | B3 | -106.5(5) | B18 | B17 | B22 | B20 | 100.7(4) | |
| B1 | C1 | B4 | B5 | 37.0(5) | B18 | B17 | B22 | B21 | 138.3(4) | |
| B1 | C1 | B4 | B9 | -66.4(6) | B18 | B19 | B20 | Cl20 | 149.7(3) | |
| B1 | C1 | B4 | B10 | -3.3(7) | B18 | B19 | B20 | B14 | -100.2(4) | |
| B1 | C1 | B5 | Cl5 | 108.6(5) | B18 | B19 | B20 | B15 | -63.1(4) | |
| B1 | C1 | B5 | B4 | -142.3(4) | B18 | B19 | B20 | B21 | -0.2(5) | |
| B1 | C1 | B5 | B6 | -39.9(4) | B18 | B19 | B20 | B22 | 37.1(3) | |
| B1 | C1 | B5 | B10 | -102.2(4) | B18 | B19 | B22 | Cl22 | 109.9(4) | |
| B1 | B2 | B3 | Cl3 | 143.3(5) | B18 | B19 | B22 | B17 | -37.0(4) | |
| B1 | B2 | B3 | C1 | 32.7(4) | B18 | B19 | B22 | B20 | -138.2(4) | |
| B1 | B2 | B3 | B4 | -0.2(6) | B18 | B19 | B22 | B21 | -100.6(4) | |
| B1 | B2 | B3 | B8 | -102.0(5) | B19 | B13 | B14 | Cl14 | 113.8(4) | |
| B1 | B2 | B3 | B9 | -63.4(6) | B19 | B13 | B14 | C2 | -134.6(4) | |
| B1 | B2 | B7 | Cl7 | -111.2(5) | B19 | B13 | B14 | B15 | -101.8(4) | |
| B1 | B2 | B7 | B6 | 37.3(4) | B19 | B13 | B14 | B20 | -37.9(3) | |
| B1 | B2 | B7 | B8 | 138.7(4) | B19 | B13 | B18 | Cl18 | -109.2(4) | |
| B1 | B2 | B7 | B11 | 100.8(5) | B19 | B13 | B18 | B12 | 138.9(4) | |
| B1 | B2 | B8 | Cl8 | -148.8(4) | B19 | B13 | B18 | B17 | 101.1(4) | |
| B1 | B2 | B8 | B3 | 100.4(5) | B19 | B13 | B18 | B22 | 37.6(3) | |
| B1 | B2 | B8 | B7 | -37.1(4) | B19 | B14 | B15 | Cl15 | 154.0(3) | |
| B1 | B2 | B8 | B9 | 62.8(5) | B19 | B14 | B15 | C2 | -96.3(4) | |
| B1 | B2 | B8 | B11 | 0.4(5) | B19 | B14 | B15 | B16 | -63.6(5) | |
| B1 | B5 | B6 | Cl6 | 111.4(5) | B19 | B14 | B15 | B20 | 37.7(3) | |
| B1 | B5 | B6 | B7 | -37.5(4) | B19 | B14 | B15 | B21 | -0.2(5) | |
| B1 | B5 | B6 | B10 | -137.8(5) | B19 | B14 | B20 | Cl20 | 110.1(4) | |
| B1 | B5 | B6 | B11 | -100.1(5) | B19 | B14 | B20 | B15 | -138.4(4) | |
| B1 | B5 | B10 | Cl10 | 148.8(4) | B19 | B14 | B20 | B21 | -101.3(4) | |
| B1 | B5 | B10 | B4 | -100.0(5) | B19 | B14 | B20 | B22 | -38.2(3) | |
| B1 | B5 | B10 | B6 | 37.2(4) | B19 | B18 | B22 | Cl22 | -110.0(4) | |
| B1 | B5 | B10 | B9 | -63.1(5) | B19 | B18 | B22 | B17 | 138.7(4) | |
| B1 | B5 | B10 | B11 | -0.3(6) | B19 | B18 | B22 | B20 | 37.4(3) | |
| B1 | B6 | B7 | Cl7 | 109.5(5) | B19 | B18 | B22 | B21 | 101.4(4) | |
| B1 | B6 | B7 | B2 | -37.9(4) | B19 | B20 | B21 | Cl21 | 149.7(4) | |
| B1 | B6 | B7 | B8 | -101.1(5) | B19 | B20 | B21 | B15 | -100.4(4) | |
| B1 | B6 | B7 | B11 | -137.7(4) | B19 | B20 | B21 | B16 | -62.8(5) | |
| B1 | B6 | B10 | Cl10 | -148.7(4) | B19 | B20 | B21 | B17 | 0.3(5) | |
| B1 | B6 | B10 | B4 | 0.6(6) | B19 | B20 | B21 | B22 | 37.5(3) | |
| B1 | B6 | B10 | B5 | -38.0(5) | B19 | B20 | B22 | Cl22 | 109.3(4) | |
| B1 | B6 | B10 | B9 | 63.5(5) | B19 | B20 | B22 | B17 | -101.0(4) | |
| B1 | B6 | B10 | B11 | 99.8(5) | B19 | B20 | B22 | B18 | -37.5(3) | |
| B1 | B6 | B11 | Cl11 | 149.3(4) | B19 | B20 | B22 | B21 | -138.3(4) | |
| B1 | B6 | B11 | B7 | 37.4(4) | B20 | B14 | B15 | Cl15 | 116.3(4) | |
| B1 | B6 | B11 | B8 | 0.4(5) | B20 | B14 | B15 | C2 | -134.0(4) | |
| B1 | B6 | B11 | B9 | -64.2(5) | B20 | B14 | B15 | B16 | -101.3(4) | |
| B1 | B6 | B11 | B10 | -101.1(4) | B20 | B14 | B15 | B21 | -37.9(3) | |
| B1 | B7 | B8 | Cl8 | 147.7(4) | B20 | B14 | B19 | Cl19 | -110.8(4) | |
| B1 | B7 | B8 | B2 | 37.5(4) | B20 | B14 | B19 | B13 | 138.1(4) | |
| B1 | B7 | B8 | B3 | -0.6(5) | B20 | B14 | B19 | B18 | 100.4(4) | |
| B1 | B7 | B8 | B9 | -62.8(5) | B20 | B14 | B19 | B22 | 37.7(3) | |
| B1 | B7 | B8 | B11 | -99.9(4) | B20 | B15 | B16 | Cl16 | 152.8(3) | |
| B1 | B7 | B11 | Cl11 | -147.9(4) | B20 | B15 | B16 | C2 | -95.9(4) | |
| B1 | B7 | B11 | B6 | -37.4(4) | B20 | B15 | B16 | B12 | -62.9(4) | |
| B1 | B7 | B11 | B8 | 101.9(5) | B20 | B15 | B16 | B17 | 0.2(4) | |
| B1 | B7 | B11 | B9 | 63.9(6) | B20 | B15 | B16 | B21 | 37.9(3) | |
| B1 | B7 | B11 | B10 | -0.1(6) | B20 | B15 | B21 | Cl21 | 110.9(4) | |
| B2 | C1 | B1 | Cl1 | 108.5(5) | B20 | B15 | B21 | B16 | -138.0(4) | |
| B2 | C1 | B1 | B5 | -143.0(4) | B20 | B15 | B21 | B17 | -100.7(4) | |
| B2 | C1 | B1 | B6 | -102.5(5) | B20 | B15 | B21 | B22 | -37.4(3) | |
| B2 | C1 | B1 | B7 | -39.5(4) | B20 | B19 | B22 | Cl22 | -111.9(4) | |
| B2 | C1 | B3 | Cl3 | -109.1(5) | B20 | B19 | B22 | B17 | 101.2(4) | |
| B2 | C1 | B3 | B4 | 142.7(4) | B20 | B19 | B22 | B18 | 138.2(4) | |
| B2 | C1 | B3 | B8 | 39.2(4) | B20 | B19 | B22 | B21 | 37.6(3) | |
| B2 | C1 | B3 | B9 | 102.5(4) | B20 | B21 | B22 | Cl22 | 111.3(4) | |
| B2 | C1 | B4 | Cl4 | -145.5(5) | B20 | B21 | B22 | B17 | -138.3(4) | |
| B2 | C1 | B4 | B3 | -36.4(5) | B20 | B21 | B22 | B18 | -101.1(4) | |
| B2 | C1 | B4 | B5 | 107.1(5) | B20 | B21 | B22 | B19 | -37.4(3) | |
| B2 | C1 | B4 | B9 | 3.8(6) | B21 | B15 | B16 | Cl16 | 114.9(4) | |
| B2 | C1 | B4 | B10 | 66.8(6) | B21 | B15 | B16 | C2 | -133.8(4) | |
| B2 | C1 | B5 | Cl5 | 144.9(5) | B21 | B15 | B16 | B12 | -100.8(4) | |
| B2 | C1 | B5 | B1 | 36.3(5) | B21 | B15 | B16 | B17 | -37.7(3) | |
| B2 | C1 | B5 | B4 | -106.0(5) | B21 | B15 | B20 | Cl20 | -112.1(4) | |
| B2 | C1 | B5 | B6 | -3.6(6) | B21 | B15 | B20 | B14 | 138.0(4) | |
| B2 | C1 | B5 | B10 | -65.9(6) | B21 | B15 | B20 | B19 | 101.0(4) | |
| B2 | B1 | B5 | Cl5 | -143.4(5) | B21 | B15 | B20 | B22 | 37.4(3) | |
| B2 | B1 | B5 | C1 | -32.6(4) | B21 | B16 | B17 | Cl17 | 111.4(4) | |
| B2 | B1 | B5 | B4 | 0.3(6) | B21 | B16 | B17 | B12 | -138.6(4) | |
| B2 | B1 | B5 | B6 | 100.8(5) | B21 | B16 | B17 | B18 | -101.0(4) | |
| B2 | B1 | B5 | B10 | 63.0(6) | B21 | B16 | B17 | B22 | -37.6(3) | |
| B2 | B1 | B6 | Cl6 | 148.5(4) | B21 | B17 | B18 | Cl18 | 147.3(4) | |
| B2 | B1 | B6 | B5 | -100.9(5) | B21 | B17 | B18 | B12 | -101.6(4) | |
| B2 | B1 | B6 | B7 | 37.1(4) | B21 | B17 | B18 | B13 | -63.4(5) | |
| B2 | B1 | B6 | B10 | -63.6(5) | B21 | B17 | B18 | B19 | 0.2(5) | |
| B2 | B1 | B6 | B11 | -0.2(5) | B21 | B17 | B18 | B22 | 37.3(4) | |
| B2 | B1 | B7 | Cl7 | 109.5(5) | B21 | B17 | B22 | Cl22 | 112.3(4) | |
| B2 | B1 | B7 | B6 | -138.1(4) | B21 | B17 | B22 | B18 | -138.3(4) | |
| B2 | B1 | B7 | B8 | -36.9(4) | B21 | B17 | B22 | B19 | -101.2(4) | |
| B2 | B1 | B7 | B11 | -100.5(4) | B21 | B17 | B22 | B20 | -37.6(3) | |
| B2 | B3 | B4 | Cl4 | 144.1(4) | B21 | B20 | B22 | Cl22 | -112.4(4) | |
| B2 | B3 | B4 | C1 | 33.0(4) | B21 | B20 | B22 | B17 | 37.4(3) | |
| B2 | B3 | B4 | B5 | 0.4(5) | B21 | B20 | B22 | B18 | 100.9(4) | |
| B2 | B3 | B4 | B9 | -100.6(4) | B21 | B20 | B22 | B19 | 138.3(4) | |
| B2 | B3 | B4 | B10 | -63.0(5) | B22 | B17 | B18 | Cl18 | 110.0(4) | |
| B2 | B3 | B8 | Cl8 | -111.1(5) | B22 | B17 | B18 | B12 | -138.9(4) | |
| B2 | B3 | B8 | B7 | 37.6(4) | B22 | B17 | B18 | B13 | -100.7(4) | |
| B2 | B3 | B8 | B9 | 137.3(5) | B22 | B17 | B18 | B19 | -37.1(4) | |
| B2 | B3 | B8 | B11 | 100.1(5) | B22 | B17 | B21 | Cl21 | -112.0(4) | |
| B2 | B3 | B9 | Cl9 | -147.6(4) | B22 | B17 | B21 | B15 | 100.3(4) | |
| B2 | B3 | B9 | B4 | 100.8(5) | B22 | B17 | B21 | B16 | 138.0(4) | |
| B2 | B3 | B9 | B8 | -37.8(5) | B22 | B17 | B21 | B20 | 37.1(3) | |
| B2 | B3 | B9 | B10 | 63.8(5) | B22 | B18 | B19 | Cl19 | 111.6(4) | |
| B2 | B3 | B9 | B11 | -0.1(6) | B22 | B18 | B19 | B13 | -138.1(4) | |
| B2 | B7 | B8 | Cl8 | 110.2(5) | B22 | B18 | B19 | B14 | -99.9(4) | |
| B2 | B7 | B8 | B3 | -38.1(4) | B22 | B18 | B19 | B20 | -37.1(3) | |
| B2 | B7 | B8 | B9 | -100.3(4) | B22 | B19 | B20 | Cl20 | 112.6(4) | |
| B2 | B7 | B8 | B11 | -137.3(4) | B22 | B19 | B20 | B14 | -137.2(4) | |
| B2 | B7 | B11 | Cl11 | 147.9(4) | B22 | B19 | B20 | B15 | -100.1(4) | |
| B2 | B7 | B11 | B6 | -101.6(5) | B22 | B19 | B20 | B21 | -37.2(4) | |
| B2 | B7 | B11 | B8 | 37.7(4) | B22 | B20 | B21 | Cl21 | 112.3(4) | |
| B2 | B7 | B11 | B9 | -0.3(6) | B22 | B20 | B21 | B15 | -137.9(4) | |
| B2 | B7 | B11 | B10 | -64.3(6) | B22 | B20 | B21 | B16 | -100.2(4) | |
| B2 | B8 | B9 | Cl9 | 147.8(4) | B22 | B20 | B21 | B17 | -37.2(3) | |
| B2 | B8 | B9 | B3 | 38.2(5) | Cl23 | B23 | B24 | Cl24 | -0.4(6) | |
| B2 | B8 | B9 | B4 | 0.8(6) | Cl23 | B23 | B24 | C3 | 109.5(4) | |
| B2 | B8 | B9 | B10 | -62.6(5) | Cl23 | B23 | B24 | B25 | 142.7(4) | |
| B2 | B8 | B9 | B11 | -99.5(5) | Cl23 | B23 | B24 | B29 | -116.6(4) | |
| B2 | B8 | B11 | Cl11 | -149.4(4) | Cl23 | B23 | B24 | B30 | -154.5(3) | |
| B2 | B8 | B11 | B6 | -0.5(5) | Cl23 | B23 | B27 | Cl27 | -0.5(6) | |
| B2 | B8 | B11 | B7 | -37.5(4) | Cl23 | B23 | B27 | C3 | -109.2(4) | |
| B2 | B8 | B11 | B9 | 100.5(4) | Cl23 | B23 | B27 | B26 | -142.3(4) | |
| B2 | B8 | B11 | B10 | 63.5(5) | Cl23 | B23 | B27 | B28 | 116.5(4) | |
| B3 | C1 | B1 | Cl1 | 144.6(5) | Cl23 | B23 | B27 | B32 | 153.9(4) | |
| B3 | C1 | B1 | B2 | 36.1(4) | Cl23 | B23 | B28 | Cl28 | 4.7(6) | |
| B3 | C1 | B1 | B5 | -106.9(5) | Cl23 | B23 | B28 | B27 | -106.8(4) | |
| B3 | C1 | B1 | B6 | -66.3(6) | Cl23 | B23 | B28 | B29 | 114.9(4) | |
| B3 | C1 | B1 | B7 | -3.4(6) | Cl23 | B23 | B28 | B32 | -143.9(4) | |
| B3 | C1 | B2 | Cl2 | 109.2(6) | Cl23 | B23 | B28 | B33 | 152.2(4) | |
| B3 | C1 | B2 | B1 | -143.0(4) | Cl23 | B23 | B29 | Cl29 | -4.1(6) | |
| B3 | C1 | B2 | B7 | -103.0(5) | Cl23 | B23 | B29 | B24 | 107.4(5) | |
| B3 | C1 | B2 | B8 | -39.7(4) | Cl23 | B23 | B29 | B28 | -115.3(5) | |
| B3 | C1 | B4 | Cl4 | -109.1(5) | Cl23 | B23 | B29 | B30 | 145.0(4) | |
| B3 | C1 | B4 | B5 | 143.4(4) | Cl23 | B23 | B29 | B33 | -152.2(4) | |
| B3 | C1 | B4 | B9 | 40.1(4) | Cl24 | B24 | B25 | Cl25 | -0.3(5) | |
| B3 | C1 | B4 | B10 | 103.1(4) | Cl24 | B24 | B25 | C3 | 109.9(4) | |
| B3 | C1 | B5 | Cl5 | -144.8(4) | Cl24 | B24 | B25 | B26 | 142.7(4) | |
| B3 | C1 | B5 | B1 | 106.5(5) | Cl24 | B24 | B25 | B30 | -115.7(4) | |
| B3 | C1 | B5 | B4 | -35.8(4) | Cl24 | B24 | B25 | B31 | -153.0(3) | |
| B3 | C1 | B5 | B6 | 66.7(5) | Cl24 | B24 | B29 | Cl29 | 2.8(6) | |
| B3 | C1 | B5 | B10 | 4.3(5) | Cl24 | B24 | B29 | B23 | -108.4(4) | |
| B3 | B2 | B7 | Cl7 | 148.2(5) | Cl24 | B24 | B29 | B28 | -146.1(4) | |
| B3 | B2 | B7 | B1 | -100.6(5) | Cl24 | B24 | B29 | B30 | 114.1(4) | |
| B3 | B2 | B7 | B6 | -63.3(6) | Cl24 | B24 | B29 | B33 | 151.3(4) | |
| B3 | B2 | B7 | B8 | 38.2(4) | Cl24 | B24 | B30 | Cl30 | -1.4(6) | |
| B3 | B2 | B7 | B11 | 0.2(6) | Cl24 | B24 | B30 | B25 | 107.1(4) | |
| B3 | B2 | B8 | Cl8 | 110.8(5) | Cl24 | B24 | B30 | B29 | -114.9(4) | |
| B3 | B2 | B8 | B7 | -137.5(5) | Cl24 | B24 | B30 | B31 | 143.9(4) | |
| B3 | B2 | B8 | B9 | -37.5(4) | Cl24 | B24 | B30 | B33 | -152.7(4) | |
| B3 | B2 | B8 | B11 | -99.9(4) | Cl25 | B25 | B26 | Cl26 | 0.5(6) | |
| B3 | B4 | B5 | Cl5 | 143.1(4) | Cl25 | B25 | B26 | C3 | 110.5(4) | |
| B3 | B4 | B5 | C1 | 32.6(4) | Cl25 | B25 | B26 | B27 | 143.6(4) | |
| B3 | B4 | B5 | B1 | -0.4(5) | Cl25 | B25 | B26 | B31 | -115.9(4) | |
| B3 | B4 | B5 | B6 | -62.6(5) | Cl25 | B25 | B26 | B32 | -153.9(3) | |
| B3 | B4 | B5 | B10 | -100.9(4) | Cl25 | B25 | B30 | Cl30 | 4.3(6) | |
| B3 | B4 | B9 | Cl9 | -109.4(5) | Cl25 | B25 | B30 | B24 | -106.7(4) | |
| B3 | B4 | B9 | B8 | 37.1(4) | Cl25 | B25 | B30 | B29 | -144.4(4) | |
| B3 | B4 | B9 | B10 | 138.5(4) | Cl25 | B25 | B30 | B31 | 114.4(4) | |
| B3 | B4 | B9 | B11 | 100.5(4) | Cl25 | B25 | B30 | B33 | 151.7(4) | |
| B3 | B4 | B10 | Cl10 | -147.4(4) | Cl25 | B25 | B31 | Cl31 | -3.6(6) | |
| B3 | B4 | B10 | B5 | 101.5(5) | Cl25 | B25 | B31 | B26 | 107.2(4) | |
| B3 | B4 | B10 | B6 | 63.1(6) | Cl25 | B25 | B31 | B30 | -113.9(4) | |
| B3 | B4 | B10 | B9 | -37.1(4) | Cl25 | B25 | B31 | B32 | 145.2(4) | |
| B3 | B4 | B10 | B11 | 0.1(6) | Cl25 | B25 | B31 | B33 | -151.1(4) | |
| B3 | B8 | B9 | Cl9 | 109.6(5) | Cl26 | B26 | B27 | Cl27 | 0.8(6) | |
| B3 | B8 | B9 | B4 | -37.4(4) | Cl26 | B26 | B27 | C3 | 109.8(4) | |
| B3 | B8 | B9 | B10 | -100.8(5) | Cl26 | B26 | B27 | B23 | 142.6(4) | |
| B3 | B8 | B9 | B11 | -137.7(5) | Cl26 | B26 | B27 | B28 | -153.6(4) | |
| B3 | B8 | B11 | Cl11 | 147.1(4) | Cl26 | B26 | B27 | B32 | -116.5(4) | |
| B3 | B8 | B11 | B6 | -64.0(5) | Cl26 | B26 | B31 | Cl31 | 3.6(6) | |
| B3 | B8 | B11 | B7 | -101.0(5) | Cl26 | B26 | B31 | B25 | -107.8(5) | |
| B3 | B8 | B11 | B9 | 37.0(4) | Cl26 | B26 | B31 | B30 | -144.3(4) | |
| B3 | B8 | B11 | B10 | 0.1(6) | Cl26 | B26 | B31 | B32 | 115.1(5) | |
| B3 | B9 | B10 | Cl10 | 148.1(4) | Cl26 | B26 | B31 | B33 | 152.4(4) | |
| B3 | B9 | B10 | B4 | 37.4(4) | Cl26 | B26 | B32 | Cl32 | -3.5(6) | |
| B3 | B9 | B10 | B5 | 0.0(5) | Cl26 | B26 | B32 | B27 | 108.1(5) | |
| B3 | B9 | B10 | B6 | -63.8(5) | Cl26 | B26 | B32 | B28 | 144.7(4) | |
| B3 | B9 | B10 | B11 | -100.3(4) | Cl26 | B26 | B32 | B31 | -114.5(5) | |
| B3 | B9 | B11 | Cl11 | -148.5(4) | Cl26 | B26 | B32 | B33 | -151.6(4) | |
| B3 | B9 | B11 | B6 | 64.6(5) | Cl27 | B27 | B28 | Cl28 | -5.1(7) | |
| B3 | B9 | B11 | B7 | 0.3(6) | Cl27 | B27 | B28 | B23 | 106.1(5) | |
| B3 | B9 | B11 | B8 | -37.6(4) | Cl27 | B27 | B28 | B29 | 143.4(4) | |
| B3 | B9 | B11 | B10 | 101.5(5) | Cl27 | B27 | B28 | B32 | -115.3(5) | |
| B4 | C1 | B1 | Cl1 | -145.3(5) | Cl27 | B27 | B28 | B33 | -153.0(4) | |
| B4 | C1 | B1 | B2 | 106.2(5) | Cl27 | B27 | B32 | Cl32 | 3.7(6) | |
| B4 | C1 | B1 | B5 | -36.9(5) | Cl27 | B27 | B32 | B26 | -105.8(5) | |
| B4 | C1 | B1 | B6 | 3.7(7) | Cl27 | B27 | B32 | B28 | 115.1(5) | |
| B4 | C1 | B1 | B7 | 66.7(6) | Cl27 | B27 | B32 | B31 | -144.1(4) | |
| B4 | C1 | B2 | Cl2 | 145.6(5) | Cl27 | B27 | B32 | B33 | 152.6(4) | |
| B4 | C1 | B2 | B1 | -106.6(5) | Cl28 | B28 | B29 | Cl29 | -0.2(6) | |
| B4 | C1 | B2 | B3 | 36.4(5) | Cl28 | B28 | B29 | B23 | 110.9(4) | |
| B4 | C1 | B2 | B7 | -66.7(6) | Cl28 | B28 | B29 | B24 | 148.8(4) | |
| B4 | C1 | B2 | B8 | -3.3(7) | Cl28 | B28 | B29 | B30 | -148.6(4) | |
| B4 | C1 | B3 | Cl3 | 108.2(5) | Cl28 | B28 | B29 | B33 | -110.7(4) | |
| B4 | C1 | B3 | B2 | -142.7(4) | Cl28 | B28 | B32 | Cl32 | -0.6(6) | |
| B4 | C1 | B3 | B8 | -103.4(4) | Cl28 | B28 | B32 | B26 | -148.2(4) | |
| B4 | C1 | B3 | B9 | -40.2(4) | Cl28 | B28 | B32 | B27 | -111.3(4) | |
| B4 | C1 | B5 | Cl5 | -109.0(5) | Cl28 | B28 | B32 | B31 | 147.9(4) | |
| B4 | C1 | B5 | B1 | 142.3(4) | Cl28 | B28 | B32 | B33 | 110.8(4) | |
| B4 | C1 | B5 | B6 | 102.5(4) | Cl28 | B28 | B33 | Cl33 | 0.8(6) | |
| B4 | C1 | B5 | B10 | 40.1(4) | Cl28 | B28 | B33 | B29 | 110.6(4) | |
| B4 | B3 | B8 | Cl8 | 148.8(4) | Cl28 | B28 | B33 | B30 | 148.8(4) | |
| B4 | B3 | B8 | B2 | -100.1(6) | Cl28 | B28 | B33 | B31 | -147.4(4) | |
| B4 | B3 | B8 | B7 | -62.5(5) | Cl28 | B28 | B33 | B32 | -110.6(4) | |
| B4 | B3 | B8 | B9 | 37.2(4) | Cl29 | B29 | B30 | Cl30 | 2.4(6) | |
| B4 | B3 | B8 | B11 | 0.0(6) | Cl29 | B29 | B30 | B24 | 111.4(4) | |
| B4 | B3 | B9 | Cl9 | 111.6(4) | Cl29 | B29 | B30 | B25 | 149.5(3) | |
| B4 | B3 | B9 | B8 | -138.6(5) | Cl29 | B29 | B30 | B31 | -147.2(3) | |
| B4 | B3 | B9 | B10 | -37.0(4) | Cl29 | B29 | B30 | B33 | -110.5(4) | |
| B4 | B3 | B9 | B11 | -100.9(5) | Cl29 | B29 | B33 | Cl33 | 0.7(6) | |
| B4 | B5 | B6 | Cl6 | -148.8(4) | Cl29 | B29 | B33 | B28 | -111.4(4) | |
| B4 | B5 | B6 | B1 | 99.8(5) | Cl29 | B29 | B33 | B30 | 111.5(4) | |
| B4 | B5 | B6 | B7 | 62.4(5) | Cl29 | B29 | B33 | B31 | 148.6(3) | |
| B4 | B5 | B6 | B10 | -37.9(4) | Cl29 | B29 | B33 | B32 | -148.2(3) | |
| B4 | B5 | B6 | B11 | -0.3(5) | Cl30 | B30 | B31 | Cl31 | -3.2(6) | |
| B4 | B5 | B10 | Cl10 | -111.2(5) | Cl30 | B30 | B31 | B25 | 108.2(4) | |
| B4 | B5 | B10 | B6 | 137.2(4) | Cl30 | B30 | B31 | B26 | 144.9(3) | |
| B4 | B5 | B10 | B9 | 36.9(4) | Cl30 | B30 | B31 | B32 | -152.0(3) | |
| B4 | B5 | B10 | B11 | 99.7(4) | Cl30 | B30 | B31 | B33 | -113.7(4) | |
| B4 | B9 | B10 | Cl10 | 110.7(4) | Cl30 | B30 | B33 | Cl33 | -2.6(6) | |
| B4 | B9 | B10 | B5 | -37.4(4) | Cl30 | B30 | B33 | B28 | -151.0(4) | |
| B4 | B9 | B10 | B6 | -101.2(4) | Cl30 | B30 | B33 | B29 | -112.6(4) | |
| B4 | B9 | B10 | B11 | -137.7(4) | Cl30 | B30 | B33 | B31 | 108.3(4) | |
| B4 | B9 | B11 | Cl11 | 147.6(4) | Cl30 | B30 | B33 | B32 | 146.1(4) | |
| B4 | B9 | B11 | B6 | 0.7(5) | Cl31 | B31 | B32 | Cl32 | 1.1(6) | |
| B4 | B9 | B11 | B7 | -63.6(5) | Cl31 | B31 | B32 | B26 | 110.7(4) | |
| B4 | B9 | B11 | B8 | -101.5(4) | Cl31 | B31 | B32 | B27 | 149.0(4) | |
| B4 | B9 | B11 | B10 | 37.6(4) | Cl31 | B31 | B32 | B28 | -147.7(4) | |
| B4 | B10 | B11 | Cl11 | -147.4(4) | Cl31 | B31 | B32 | B33 | -110.7(4) | |
| B4 | B10 | B11 | B6 | 101.7(4) | Cl31 | B31 | B33 | Cl33 | 0.1(6) | |
| B4 | B10 | B11 | B7 | 64.2(5) | Cl31 | B31 | B33 | B28 | 148.7(4) | |
| B4 | B10 | B11 | B8 | -0.1(5) | Cl31 | B31 | B33 | B29 | -147.5(3) | |
| B4 | B10 | B11 | B9 | -37.3(4) | Cl31 | B31 | B33 | B30 | -110.7(4) | |
| B5 | C1 | B1 | Cl1 | -108.5(6) | Cl31 | B31 | B33 | B32 | 111.9(4) | |
| B5 | C1 | B1 | B2 | 143.0(4) | Cl32 | B32 | B33 | Cl33 | 0.0(6) | |
| B5 | C1 | B1 | B6 | 40.6(4) | Cl32 | B32 | B33 | B28 | 111.3(4) | |
| B5 | C1 | B1 | B7 | 103.5(5) | Cl32 | B32 | B33 | B29 | 148.4(4) | |
| B5 | C1 | B2 | Cl2 | -144.2(5) | Cl32 | B32 | B33 | B30 | -148.3(4) | |
| B5 | C1 | B2 | B1 | -36.4(5) | Cl32 | B32 | B33 | B31 | -110.1(4) | |
| B5 | C1 | B2 | B3 | 106.6(5) | C3 | B23 | B24 | Cl24 | -109.9(4) | |
| B5 | C1 | B2 | B7 | 3.6(6) | C3 | B23 | B24 | B25 | 33.1(3) | |
| B5 | C1 | B2 | B8 | 66.9(6) | C3 | B23 | B24 | B29 | 133.9(4) | |
| B5 | C1 | B3 | Cl3 | 144.1(4) | C3 | B23 | B24 | B30 | 95.9(4) | |
| B5 | C1 | B3 | B2 | -106.8(5) | C3 | B23 | B27 | Cl27 | 108.7(4) | |
| B5 | C1 | B3 | B4 | 35.9(4) | C3 | B23 | B27 | B26 | -33.1(4) | |
| B5 | C1 | B3 | B8 | -67.6(5) | C3 | B23 | B27 | B28 | -134.3(4) | |
| B5 | C1 | B3 | B9 | -4.3(5) | C3 | B23 | B27 | B32 | -97.0(4) | |
| B5 | C1 | B4 | Cl4 | 107.4(5) | C3 | B23 | B28 | Cl28 | 150.2(4) | |
| B5 | C1 | B4 | B3 | -143.4(4) | C3 | B23 | B28 | B27 | 38.6(3) | |
| B5 | C1 | B4 | B9 | -103.3(4) | C3 | B23 | B28 | B29 | -99.6(4) | |
| B5 | C1 | B4 | B10 | -40.3(4) | C3 | B23 | B28 | B32 | 1.6(5) | |
| B5 | B1 | B2 | Cl2 | 144.5(4) | C3 | B23 | B28 | B33 | -62.3(4) | |
| B5 | B1 | B2 | C1 | 32.6(4) | C3 | B23 | B29 | Cl29 | -151.1(3) | |
| B5 | B1 | B2 | B3 | 0.0(6) | C3 | B23 | B29 | B24 | -39.6(3) | |
| B5 | B1 | B2 | B7 | -101.4(4) | C3 | B23 | B29 | B28 | 97.6(4) | |
| B5 | B1 | B2 | B8 | -63.8(5) | C3 | B23 | B29 | B30 | -2.1(5) | |
| B5 | B1 | B6 | Cl6 | -110.6(5) | C3 | B23 | B29 | B33 | 60.7(4) | |
| B5 | B1 | B6 | B7 | 138.0(5) | C3 | B24 | B25 | Cl25 | -110.2(4) | |
| B5 | B1 | B6 | B10 | 37.3(4) | C3 | B24 | B25 | B26 | 32.8(3) | |
| B5 | B1 | B6 | B11 | 100.7(5) | C3 | B24 | B25 | B30 | 134.4(4) | |
| B5 | B1 | B7 | Cl7 | -150.2(5) | C3 | B24 | B25 | B31 | 97.1(4) | |
| B5 | B1 | B7 | B2 | 100.3(5) | C3 | B24 | B29 | Cl29 | 150.9(3) | |
| B5 | B1 | B7 | B6 | -37.8(4) | C3 | B24 | B29 | B23 | 39.7(3) | |
| B5 | B1 | B7 | B8 | 63.4(6) | C3 | B24 | B29 | B28 | 2.0(5) | |
| B5 | B1 | B7 | B11 | -0.1(6) | C3 | B24 | B29 | B30 | -97.9(4) | |
| B5 | B4 | B9 | Cl9 | 149.1(4) | C3 | B24 | B29 | B33 | -60.7(4) | |
| B5 | B4 | B9 | B3 | -101.4(5) | C3 | B24 | B30 | Cl30 | -147.2(3) | |
| B5 | B4 | B9 | B8 | -64.3(5) | C3 | B24 | B30 | B25 | -38.6(3) | |
| B5 | B4 | B9 | B10 | 37.1(4) | C3 | B24 | B30 | B29 | 99.4(4) | |
| B5 | B4 | B9 | B11 | -0.9(5) | C3 | B24 | B30 | B31 | -1.8(4) | |
| B5 | B4 | B10 | Cl10 | 111.1(5) | C3 | B24 | B30 | B33 | 61.6(4) | |
| B5 | B4 | B10 | B6 | -38.4(4) | C3 | B25 | B26 | Cl26 | -110.1(4) | |
| B5 | B4 | B10 | B9 | -138.6(4) | C3 | B25 | B26 | B27 | 33.1(3) | |
| B5 | B4 | B10 | B11 | -101.4(4) | C3 | B25 | B26 | B31 | 133.6(4) | |
| B5 | B6 | B7 | Cl7 | 147.5(4) | C3 | B25 | B26 | B32 | 95.6(4) | |
| B5 | B6 | B7 | B1 | 38.0(4) | C3 | B25 | B30 | Cl30 | 150.1(3) | |
| B5 | B6 | B7 | B2 | 0.0(6) | C3 | B25 | B30 | B24 | 39.1(3) | |
| B5 | B6 | B7 | B8 | -63.2(5) | C3 | B25 | B30 | B29 | 1.4(5) | |
| B5 | B6 | B7 | B11 | -99.8(4) | C3 | B25 | B30 | B31 | -99.8(4) | |
| B5 | B6 | B10 | Cl10 | -110.7(5) | C3 | B25 | B30 | B33 | -62.5(4) | |
| B5 | B6 | B10 | B4 | 38.6(4) | C3 | B25 | B31 | Cl31 | -151.2(4) | |
| B5 | B6 | B10 | B9 | 101.5(5) | C3 | B25 | B31 | B26 | -40.5(3) | |
| B5 | B6 | B10 | B11 | 137.8(5) | C3 | B25 | B31 | B30 | 98.4(4) | |
| B5 | B6 | B11 | Cl11 | -146.8(4) | C3 | B25 | B31 | B32 | -2.5(5) | |
| B5 | B6 | B11 | B7 | 101.3(4) | C3 | B25 | B31 | B33 | 61.2(4) | |
| B5 | B6 | B11 | B8 | 64.3(5) | C3 | B26 | B27 | Cl27 | -109.1(4) | |
| B5 | B6 | B11 | B9 | -0.2(5) | C3 | B26 | B27 | B23 | 32.8(4) | |
| B5 | B6 | B11 | B10 | -37.2(4) | C3 | B26 | B27 | B28 | 96.6(4) | |
| B5 | B10 | B11 | Cl11 | 148.7(4) | C3 | B26 | B27 | B32 | 133.6(4) | |
| B5 | B10 | B11 | B6 | 37.8(4) | C3 | B26 | B31 | Cl31 | 150.7(3) | |
| B5 | B10 | B11 | B7 | 0.3(6) | C3 | B26 | B31 | B25 | 39.2(3) | |
| B5 | B10 | B11 | B8 | -64.0(5) | C3 | B26 | B31 | B30 | 2.7(4) | |
| B5 | B10 | B11 | B9 | -101.2(5) | C3 | B26 | B31 | B32 | -97.9(4) | |
| B6 | B1 | B2 | Cl2 | -151.9(4) | C3 | B26 | B31 | B33 | -60.5(4) | |
| B6 | B1 | B2 | C1 | 96.3(4) | C3 | B26 | B32 | Cl32 | -150.7(4) | |
| B6 | B1 | B2 | B3 | 63.6(5) | C3 | B26 | B32 | B27 | -39.1(3) | |
| B6 | B1 | B2 | B7 | -37.8(4) | C3 | B26 | B32 | B28 | -2.5(5) | |
| B6 | B1 | B2 | B8 | -0.2(5) | C3 | B26 | B32 | B31 | 98.2(4) | |
| B6 | B1 | B5 | Cl5 | 115.8(6) | C3 | B26 | B32 | B33 | 61.1(4) | |
| B6 | B1 | B5 | C1 | -133.4(5) | C3 | B27 | B28 | Cl28 | -150.5(4) | |
| B6 | B1 | B5 | B4 | -100.5(5) | C3 | B27 | B28 | B23 | -39.3(3) | |
| B6 | B1 | B5 | B10 | -37.8(4) | C3 | B27 | B28 | B29 | -2.1(5) | |
| B6 | B1 | B7 | Cl7 | -112.4(5) | C3 | B27 | B28 | B32 | 99.3(4) | |
| B6 | B1 | B7 | B2 | 138.1(4) | C3 | B27 | B28 | B33 | 61.5(5) | |
| B6 | B1 | B7 | B8 | 101.2(4) | C3 | B27 | B32 | Cl32 | 149.8(4) | |
| B6 | B1 | B7 | B11 | 37.7(4) | C3 | B27 | B32 | B26 | 40.3(3) | |
| B6 | B5 | B10 | Cl10 | 111.6(5) | C3 | B27 | B32 | B28 | -98.8(4) | |
| B6 | B5 | B10 | B4 | -137.2(4) | C3 | B27 | B32 | B31 | 2.0(5) | |
| B6 | B5 | B10 | B9 | -100.3(4) | C3 | B27 | B32 | B33 | -61.3(4) | |
| B6 | B5 | B10 | B11 | -37.5(4) | B23 | C3 | B24 | Cl24 | 109.8(4) | |
| B6 | B7 | B8 | Cl8 | -149.1(4) | B23 | C3 | B24 | B25 | -142.1(4) | |
| B6 | B7 | B8 | B2 | 100.7(4) | B23 | C3 | B24 | B29 | -40.2(3) | |
| B6 | B7 | B8 | B3 | 62.6(5) | B23 | C3 | B24 | B30 | -102.6(4) | |
| B6 | B7 | B8 | B9 | 0.4(5) | B23 | C3 | B25 | Cl25 | 144.6(4) | |
| B6 | B7 | B8 | B11 | -36.6(4) | B23 | C3 | B25 | B24 | 36.7(4) | |
| B6 | B7 | B11 | Cl11 | -110.5(5) | B23 | C3 | B25 | B26 | -106.9(4) | |
| B6 | B7 | B11 | B8 | 139.3(4) | B23 | C3 | B25 | B30 | -2.9(5) | |
| B6 | B7 | B11 | B9 | 101.3(4) | B23 | C3 | B25 | B31 | -66.1(5) | |
| B6 | B7 | B11 | B10 | 37.3(4) | B23 | C3 | B26 | Cl26 | -145.5(4) | |
| B6 | B10 | B11 | Cl11 | 110.9(5) | B23 | C3 | B26 | B25 | 105.7(4) | |
| B6 | B10 | B11 | B7 | -37.5(4) | B23 | C3 | B26 | B27 | -36.1(4) | |
| B6 | B10 | B11 | B8 | -101.8(4) | B23 | C3 | B26 | B31 | 65.6(4) | |
| B6 | B10 | B11 | B9 | -139.0(4) | B23 | C3 | B26 | B32 | 3.8(5) | |
| B7 | B1 | B2 | Cl2 | -114.1(4) | B23 | C3 | B27 | Cl27 | -108.3(4) | |
| B7 | B1 | B2 | C1 | 134.0(4) | B23 | C3 | B27 | B26 | 143.3(4) | |
| B7 | B1 | B2 | B3 | 101.3(4) | B23 | C3 | B27 | B28 | 39.9(3) | |
| B7 | B1 | B2 | B8 | 37.6(4) | B23 | C3 | B27 | B32 | 102.8(4) | |
| B7 | B1 | B5 | Cl5 | 153.9(5) | B23 | B24 | B25 | Cl25 | -143.8(3) | |
| B7 | B1 | B5 | C1 | -95.3(5) | B23 | B24 | B25 | C3 | -33.5(3) | |
| B7 | B1 | B5 | B4 | -62.4(6) | B23 | B24 | B25 | B26 | -0.7(5) | |
| B7 | B1 | B5 | B6 | 38.1(4) | B23 | B24 | B25 | B30 | 100.9(4) | |
| B7 | B1 | B5 | B10 | 0.3(7) | B23 | B24 | B25 | B31 | 63.5(4) | |
| B7 | B1 | B6 | Cl6 | 111.4(5) | B23 | B24 | B29 | Cl29 | 111.2(4) | |
| B7 | B1 | B6 | B5 | -138.0(5) | B23 | B24 | B29 | B28 | -37.7(3) | |
| B7 | B1 | B6 | B10 | -100.6(5) | B23 | B24 | B29 | B30 | -137.6(4) | |
| B7 | B1 | B6 | B11 | -37.2(4) | B23 | B24 | B29 | B33 | -100.4(4) | |
| B7 | B2 | B3 | Cl3 | -153.3(5) | B23 | B24 | B30 | Cl30 | 151.3(3) | |
| B7 | B2 | B3 | C1 | 96.1(5) | B23 | B24 | B30 | B25 | -100.1(4) | |
| B7 | B2 | B3 | B4 | 63.2(6) | B23 | B24 | B30 | B29 | 37.9(3) | |
| B7 | B2 | B3 | B8 | -38.6(4) | B23 | B24 | B30 | B31 | -63.3(4) | |
| B7 | B2 | B3 | B9 | 0.0(7) | B23 | B24 | B30 | B33 | 0.1(5) | |
| B7 | B2 | B8 | Cl8 | -111.7(5) | B23 | B27 | B28 | Cl28 | -111.2(4) | |
| B7 | B2 | B8 | B3 | 137.5(5) | B23 | B27 | B28 | B29 | 37.3(3) | |
| B7 | B2 | B8 | B9 | 99.9(4) | B23 | B27 | B28 | B32 | 138.7(4) | |
| B7 | B2 | B8 | B11 | 37.5(4) | B23 | B27 | B28 | B33 | 100.9(4) | |
| B7 | B6 | B10 | Cl10 | 148.3(4) | B23 | B27 | B32 | Cl32 | -148.5(4) | |
| B7 | B6 | B10 | B4 | -62.4(5) | B23 | B27 | B32 | B26 | 102.0(4) | |
| B7 | B6 | B10 | B5 | -101.0(5) | B23 | B27 | B32 | B28 | -37.1(3) | |
| B7 | B6 | B10 | B9 | 0.5(5) | B23 | B27 | B32 | B31 | 63.7(5) | |
| B7 | B6 | B10 | B11 | 36.8(4) | B23 | B27 | B32 | B33 | 0.5(5) | |
| B7 | B6 | B11 | Cl11 | 111.9(4) | B23 | B28 | B29 | Cl29 | -111.1(4) | |
| B7 | B6 | B11 | B8 | -36.9(4) | B23 | B28 | B29 | B24 | 37.8(3) | |
| B7 | B6 | B11 | B9 | -101.5(4) | B23 | B28 | B29 | B30 | 100.4(4) | |
| B7 | B6 | B11 | B10 | -138.5(4) | B23 | B28 | B29 | B33 | 138.4(4) | |
| B7 | B8 | B9 | Cl9 | -149.7(4) | B23 | B28 | B32 | Cl32 | 148.1(4) | |
| B7 | B8 | B9 | B3 | 100.7(5) | B23 | B28 | B32 | B26 | 0.6(5) | |
| B7 | B8 | B9 | B4 | 63.3(5) | B23 | B28 | B32 | B27 | 37.5(4) | |
| B7 | B8 | B9 | B10 | -0.1(5) | B23 | B28 | B32 | B31 | -63.4(5) | |
| B7 | B8 | B9 | B11 | -37.0(4) | B23 | B28 | B32 | B33 | -100.4(4) | |
| B7 | B8 | B11 | Cl11 | -111.9(4) | B23 | B28 | B33 | Cl33 | -146.8(4) | |
| B7 | B8 | B11 | B6 | 37.0(4) | B23 | B28 | B33 | B29 | -37.1(3) | |
| B7 | B8 | B11 | B9 | 138.0(4) | B23 | B28 | B33 | B30 | 1.2(5) | |
| B7 | B8 | B11 | B10 | 101.1(4) | B23 | B28 | B33 | B31 | 65.0(5) | |
| B8 | B2 | B3 | Cl3 | -114.7(6) | B23 | B28 | B33 | B32 | 101.7(4) | |
| B8 | B2 | B3 | C1 | 134.7(5) | B23 | B29 | B30 | Cl30 | -146.6(4) | |
| B8 | B2 | B3 | B4 | 101.8(5) | B23 | B29 | B30 | B24 | -37.6(3) | |
| B8 | B2 | B3 | B9 | 38.5(5) | B23 | B29 | B30 | B25 | 0.4(5) | |
| B8 | B2 | B7 | Cl7 | 110.1(5) | B23 | B29 | B30 | B31 | 63.8(4) | |
| B8 | B2 | B7 | B1 | -138.7(4) | B23 | B29 | B30 | B33 | 100.4(4) | |
| B8 | B2 | B7 | B6 | -101.4(4) | B23 | B29 | B33 | Cl33 | 149.1(3) | |
| B8 | B2 | B7 | B11 | -38.0(4) | B23 | B29 | B33 | B28 | 36.9(3) | |
| B8 | B3 | B4 | Cl4 | -153.0(4) | B23 | B29 | B33 | B30 | -100.1(4) | |
| B8 | B3 | B4 | C1 | 95.9(5) | B23 | B29 | B33 | B31 | -63.1(4) | |
| B8 | B3 | B4 | B5 | 63.3(6) | B23 | B29 | B33 | B32 | 0.1(5) | |
| B8 | B3 | B4 | B9 | -37.7(4) | B24 | C3 | B23 | Cl23 | -108.8(4) | |
| B8 | B3 | B4 | B10 | -0.1(6) | B24 | C3 | B23 | B27 | 142.6(4) | |
| B8 | B3 | B9 | Cl9 | -109.8(5) | B24 | C3 | B23 | B28 | 103.3(4) | |
| B8 | B3 | B9 | B4 | 138.6(5) | B24 | C3 | B23 | B29 | 40.3(3) | |
| B8 | B3 | B9 | B10 | 101.5(4) | B24 | C3 | B25 | Cl25 | 107.8(4) | |
| B8 | B3 | B9 | B11 | 37.6(4) | B24 | C3 | B25 | B26 | -143.6(4) | |
| B8 | B7 | B11 | Cl11 | 110.2(5) | B24 | C3 | B25 | B30 | -39.6(3) | |
| B8 | B7 | B11 | B6 | -139.3(4) | B24 | C3 | B25 | B31 | -102.8(4) | |
| B8 | B7 | B11 | B9 | -38.0(4) | B24 | C3 | B26 | Cl26 | 144.7(4) | |
| B8 | B7 | B11 | B10 | -102.0(4) | B24 | C3 | B26 | B25 | 35.9(4) | |
| B8 | B9 | B10 | Cl10 | -148.3(4) | B24 | C3 | B26 | B27 | -105.9(4) | |
| B8 | B9 | B10 | B4 | 101.0(4) | B24 | C3 | B26 | B31 | -4.2(5) | |
| B8 | B9 | B10 | B5 | 63.5(5) | B24 | C3 | B26 | B32 | -66.0(5) | |
| B8 | B9 | B10 | B6 | -0.2(5) | B24 | C3 | B27 | Cl27 | -144.6(4) | |
| B8 | B9 | B10 | B11 | -36.7(4) | B24 | C3 | B27 | B23 | -36.3(4) | |
| B8 | B9 | B11 | Cl11 | -110.9(5) | B24 | C3 | B27 | B26 | 107.1(4) | |
| B8 | B9 | B11 | B6 | 102.2(4) | B24 | C3 | B27 | B28 | 3.6(5) | |
| B8 | B9 | B11 | B7 | 37.9(4) | B24 | C3 | B27 | B32 | 66.5(5) | |
| B8 | B9 | B11 | B10 | 139.1(4) | B24 | B23 | B27 | Cl27 | 141.6(4) | |
| B9 | B3 | B4 | Cl4 | -115.3(5) | B24 | B23 | B27 | C3 | 33.0(3) | |
| B9 | B3 | B4 | C1 | 133.6(4) | B24 | B23 | B27 | B26 | -0.1(5) | |
| B9 | B3 | B4 | B5 | 101.0(4) | B24 | B23 | B27 | B28 | -101.3(4) | |
| B9 | B3 | B4 | B10 | 37.6(4) | B24 | B23 | B27 | B32 | -64.0(5) | |
| B9 | B3 | B8 | Cl8 | 111.6(5) | B24 | B23 | B28 | Cl28 | -148.6(4) | |
| B9 | B3 | B8 | B2 | -137.3(5) | B24 | B23 | B28 | B27 | 99.8(4) | |
| B9 | B3 | B8 | B7 | -99.7(5) | B24 | B23 | B28 | B29 | -38.4(3) | |
| B9 | B3 | B8 | B11 | -37.2(4) | B24 | B23 | B28 | B32 | 62.8(5) | |
| B9 | B4 | B5 | Cl5 | -153.6(4) | B24 | B23 | B28 | B33 | -1.1(5) | |
| B9 | B4 | B5 | C1 | 95.9(4) | B24 | B23 | B29 | Cl29 | -111.5(4) | |
| B9 | B4 | B5 | B1 | 62.9(5) | B24 | B23 | B29 | B28 | 137.2(4) | |
| B9 | B4 | B5 | B6 | 0.7(5) | B24 | B23 | B29 | B30 | 37.5(3) | |
| B9 | B4 | B5 | B10 | -37.6(4) | B24 | B23 | B29 | B33 | 100.3(4) | |
| B9 | B4 | B10 | Cl10 | -110.4(5) | B24 | B25 | B26 | Cl26 | -142.5(4) | |
| B9 | B4 | B10 | B5 | 138.6(4) | B24 | B25 | B26 | C3 | -32.4(3) | |
| B9 | B4 | B10 | B6 | 100.1(4) | B24 | B25 | B26 | B27 | 0.6(5) | |
| B9 | B4 | B10 | B11 | 37.2(4) | B24 | B25 | B26 | B31 | 101.1(4) | |
| B9 | B8 | B11 | Cl11 | 110.1(4) | B24 | B25 | B26 | B32 | 63.1(5) | |
| B9 | B8 | B11 | B6 | -101.0(4) | B24 | B25 | B30 | Cl30 | 110.9(4) | |
| B9 | B8 | B11 | B7 | -138.0(4) | B24 | B25 | B30 | B29 | -37.7(3) | |
| B9 | B8 | B11 | B10 | -37.0(4) | B24 | B25 | B30 | B31 | -138.9(4) | |
| B9 | B10 | B11 | Cl11 | -110.1(4) | B24 | B25 | B30 | B33 | -101.7(4) | |
| B9 | B10 | B11 | B6 | 139.0(4) | B24 | B25 | B31 | Cl31 | 147.2(4) | |
| B9 | B10 | B11 | B7 | 101.4(4) | B24 | B25 | B31 | B26 | -102.1(4) | |
| B9 | B10 | B11 | B8 | 37.2(4) | B24 | B25 | B31 | B30 | 36.8(3) | |
| B10 | B4 | B5 | Cl5 | -116.0(5) | B24 | B25 | B31 | B32 | -64.1(4) | |
| B10 | B4 | B5 | C1 | 133.5(4) | B24 | B25 | B31 | B33 | -0.4(5) | |
| B10 | B4 | B5 | B1 | 100.5(5) | B24 | B29 | B30 | Cl30 | -109.0(4) | |
| B10 | B4 | B5 | B6 | 38.3(4) | B24 | B29 | B30 | B25 | 38.0(3) | |
| B10 | B4 | B9 | Cl9 | 112.1(4) | B24 | B29 | B30 | B31 | 101.4(4) | |
| B10 | B4 | B9 | B3 | -138.5(4) | B24 | B29 | B30 | B33 | 138.0(4) | |
| B10 | B4 | B9 | B8 | -101.4(4) | B24 | B29 | B33 | Cl33 | -148.0(3) | |
| B10 | B4 | B9 | B11 | -38.0(4) | B24 | B29 | B33 | B28 | 99.8(4) | |
| B10 | B5 | B6 | Cl6 | -110.8(5) | B24 | B29 | B33 | B30 | -37.2(3) | |
| B10 | B5 | B6 | B1 | 137.8(5) | B24 | B29 | B33 | B31 | -0.2(5) | |
| B10 | B5 | B6 | B7 | 100.3(4) | B24 | B29 | B33 | B32 | 63.0(4) | |
| B10 | B5 | B6 | B11 | 37.6(4) | B24 | B30 | B31 | Cl31 | -148.6(3) | |
| B10 | B6 | B7 | Cl7 | -149.9(4) | B24 | B30 | B31 | B25 | -37.3(3) | |
| B10 | B6 | B7 | B1 | 100.6(5) | B24 | B30 | B31 | B26 | -0.6(5) | |
| B10 | B6 | B7 | B2 | 62.6(5) | B24 | B30 | B31 | B32 | 62.5(5) | |
| B10 | B6 | B7 | B8 | -0.5(5) | B24 | B30 | B31 | B33 | 100.8(4) | |
| B10 | B6 | B7 | B11 | -37.2(4) | B24 | B30 | B33 | Cl33 | 147.6(4) | |
| B10 | B6 | B11 | Cl11 | -109.6(4) | B24 | B30 | B33 | B28 | -0.8(5) | |
| B10 | B6 | B11 | B7 | 138.5(4) | B24 | B30 | B33 | B29 | 37.7(3) | |
| B10 | B6 | B11 | B8 | 101.5(4) | B24 | B30 | B33 | B31 | -101.4(4) | |
| B10 | B6 | B11 | B9 | 37.0(4) | B24 | B30 | B33 | B32 | -63.7(5) | |
| B10 | B9 | B11 | Cl11 | 110.0(5) | B25 | C3 | B23 | Cl23 | -146.0(4) | |
| B10 | B9 | B11 | B6 | -36.9(4) | B25 | C3 | B23 | B24 | -37.2(4) | |
| B10 | B9 | B11 | B7 | -101.2(4) | B25 | C3 | B23 | B27 | 105.4(4) | |
| B10 | B9 | B11 | B8 | -139.1(4) | B25 | C3 | B23 | B28 | 66.1(5) | |
| B11 | B6 | B7 | Cl7 | -112.7(5) | B25 | C3 | B23 | B29 | 3.2(5) | |
| B11 | B6 | B7 | B1 | 137.7(4) | B25 | C3 | B24 | Cl24 | -108.2(4) | |
| B11 | B6 | B7 | B2 | 99.8(5) | B25 | C3 | B24 | B23 | 142.1(4) | |
| B11 | B6 | B7 | B8 | 36.6(4) | B25 | C3 | B24 | B29 | 101.8(4) | |
| B11 | B6 | B10 | Cl10 | 111.5(5) | B25 | C3 | B24 | B30 | 39.4(3) | |
| B11 | B6 | B10 | B4 | -99.2(5) | B25 | C3 | B26 | Cl26 | 108.8(4) | |
| B11 | B6 | B10 | B5 | -137.8(5) | B25 | C3 | B26 | B27 | -141.9(4) | |
| B11 | B6 | B10 | B9 | -36.3(4) | B25 | C3 | B26 | B31 | -40.1(3) | |
| B11 | B7 | B8 | Cl8 | -112.5(5) | B25 | C3 | B26 | B32 | -101.9(4) | |
| B11 | B7 | B8 | B2 | 137.3(4) | B25 | C3 | B27 | Cl27 | 145.1(4) | |
| B11 | B7 | B8 | B3 | 99.2(4) | B25 | C3 | B27 | B23 | -106.6(4) | |
| B11 | B7 | B8 | B9 | 37.0(4) | B25 | C3 | B27 | B26 | 36.7(4) | |
| B11 | B8 | B9 | Cl9 | -112.6(4) | B25 | C3 | B27 | B28 | -66.8(5) | |
| B11 | B8 | B9 | B3 | 137.7(5) | B25 | C3 | B27 | B32 | -3.8(5) | |
| B11 | B8 | B9 | B4 | 100.3(5) | B25 | B24 | B29 | Cl29 | -148.5(3) | |
| B11 | B8 | B9 | B10 | 37.0(4) | B25 | B24 | B29 | B23 | 100.3(4) | |
| B11 | B9 | B10 | Cl10 | -111.6(4) | B25 | B24 | B29 | B28 | 62.6(4) | |
| B11 | B9 | B10 | B4 | 137.7(4) | B25 | B24 | B29 | B30 | -37.3(3) | |
| B11 | B9 | B10 | B5 | 100.2(4) | B25 | B24 | B29 | B33 | -0.1(5) | |
| B11 | B9 | B10 | B6 | 36.5(4) | B25 | B24 | B30 | Cl30 | -108.5(4) | |
| Cl12 | B12 | B13 | Cl13 | -0.7(6) | B25 | B24 | B30 | B29 | 138.0(4) | |
| Cl12 | B12 | B13 | C2 | 109.8(4) | B25 | B24 | B30 | B31 | 36.8(3) | |
| Cl12 | B12 | B13 | B14 | 142.8(4) | B25 | B24 | B30 | B33 | 100.2(4) | |
| Cl12 | B12 | B13 | B18 | -116.8(4) | B25 | B26 | B27 | Cl27 | -142.1(4) | |
| Cl12 | B12 | B13 | B19 | -154.1(3) | B25 | B26 | B27 | C3 | -33.1(3) | |
| Cl12 | B12 | B16 | Cl16 | 1.6(6) | B25 | B26 | B27 | B23 | -0.3(5) | |
| Cl12 | B12 | B16 | C2 | -110.0(4) | B25 | B26 | B27 | B28 | 63.5(5) | |
| Cl12 | B12 | B16 | B15 | -143.0(4) | B25 | B26 | B27 | B32 | 100.5(4) | |
| Cl12 | B12 | B16 | B17 | 116.6(4) | B25 | B26 | B31 | Cl31 | 111.5(4) | |
| Cl12 | B12 | B16 | B21 | 153.8(3) | B25 | B26 | B31 | B30 | -36.5(3) | |
| Cl12 | B12 | B17 | Cl17 | 4.4(6) | B25 | B26 | B31 | B32 | -137.1(4) | |
| Cl12 | B12 | B17 | B16 | -106.9(5) | B25 | B26 | B31 | B33 | -99.7(4) | |
| Cl12 | B12 | B17 | B18 | 115.4(5) | B25 | B26 | B32 | Cl32 | 149.0(4) | |
| Cl12 | B12 | B17 | B21 | -144.2(4) | B25 | B26 | B32 | B27 | -99.4(4) | |
| Cl12 | B12 | B17 | B22 | 152.2(4) | B25 | B26 | B32 | B28 | -62.7(5) | |
| Cl12 | B12 | B18 | Cl18 | -3.5(6) | B25 | B26 | B32 | B31 | 38.0(3) | |
| Cl12 | B12 | B18 | B13 | 107.2(4) | B25 | B26 | B32 | B33 | 0.9(5) | |
| Cl12 | B12 | B18 | B17 | -115.0(4) | B25 | B30 | B31 | Cl31 | -111.4(4) | |
| Cl12 | B12 | B18 | B19 | 144.3(4) | B25 | B30 | B31 | B26 | 36.7(3) | |
| Cl12 | B12 | B18 | B22 | -151.8(4) | B25 | B30 | B31 | B32 | 99.8(4) | |
| Cl13 | B13 | B14 | Cl14 | -1.3(6) | B25 | B30 | B31 | B33 | 138.1(4) | |
| Cl13 | B13 | B14 | C2 | 110.3(4) | B25 | B30 | B33 | Cl33 | -148.2(4) | |
| Cl13 | B13 | B14 | B15 | 143.1(4) | B25 | B30 | B33 | B28 | 63.5(4) | |
| Cl13 | B13 | B14 | B19 | -115.1(4) | B25 | B30 | B33 | B29 | 101.9(4) | |
| Cl13 | B13 | B14 | B20 | -153.0(3) | B25 | B30 | B33 | B31 | -37.2(3) | |
| Cl13 | B13 | B18 | Cl18 | 4.6(6) | B25 | B30 | B33 | B32 | 0.6(5) | |
| Cl13 | B13 | B18 | B12 | -107.3(4) | B25 | B31 | B32 | Cl32 | -147.7(4) | |
| Cl13 | B13 | B18 | B17 | -145.0(4) | B25 | B31 | B32 | B26 | -38.0(4) | |
| Cl13 | B13 | B18 | B19 | 113.9(4) | B25 | B31 | B32 | B27 | 0.3(5) | |
| Cl13 | B13 | B18 | B22 | 151.5(4) | B25 | B31 | B32 | B28 | 63.5(5) | |
| Cl13 | B13 | B19 | Cl19 | -3.7(6) | B25 | B31 | B32 | B33 | 100.6(4) | |
| Cl13 | B13 | B19 | B14 | 107.7(4) | B25 | B31 | B33 | Cl33 | 148.0(4) | |
| Cl13 | B13 | B19 | B18 | -115.1(4) | B25 | B31 | B33 | B28 | -63.5(4) | |
| Cl13 | B13 | B19 | B20 | 145.0(4) | B25 | B31 | B33 | B29 | 0.3(5) | |
| Cl13 | B13 | B19 | B22 | -152.2(4) | B25 | B31 | B33 | B30 | 37.1(3) | |
| Cl14 | B14 | B15 | Cl15 | 2.7(6) | B25 | B31 | B33 | B32 | -100.3(4) | |
| Cl14 | B14 | B15 | C2 | 112.4(4) | B26 | C3 | B23 | Cl23 | 144.4(4) | |
| Cl14 | B14 | B15 | B16 | 145.1(4) | B26 | C3 | B23 | B24 | -106.8(4) | |
| Cl14 | B14 | B15 | B20 | -113.6(4) | B26 | C3 | B23 | B27 | 35.9(4) | |
| Cl14 | B14 | B15 | B21 | -151.5(3) | B26 | C3 | B23 | B28 | -3.5(5) | |
| Cl14 | B14 | B19 | Cl19 | 1.6(6) | B26 | C3 | B23 | B29 | -66.4(5) | |
| Cl14 | B14 | B19 | B13 | -109.5(4) | B26 | C3 | B24 | Cl24 | -143.7(4) | |
| Cl14 | B14 | B19 | B18 | -147.2(3) | B26 | C3 | B24 | B23 | 106.5(4) | |
| Cl14 | B14 | B19 | B20 | 112.4(4) | B26 | C3 | B24 | B25 | -35.6(4) | |
| Cl14 | B14 | B19 | B22 | 150.1(3) | B26 | C3 | B24 | B29 | 66.3(4) | |
| Cl14 | B14 | B20 | Cl20 | -3.3(6) | B26 | C3 | B24 | B30 | 3.9(5) | |
| Cl14 | B14 | B20 | B15 | 108.2(4) | B26 | C3 | B25 | Cl25 | -108.5(4) | |
| Cl14 | B14 | B20 | B19 | -113.4(4) | B26 | C3 | B25 | B24 | 143.6(4) | |
| Cl14 | B14 | B20 | B21 | 145.4(4) | B26 | C3 | B25 | B30 | 104.0(4) | |
| Cl14 | B14 | B20 | B22 | -151.6(4) | B26 | C3 | B25 | B31 | 40.8(3) | |
| Cl15 | B15 | B16 | Cl16 | -1.4(6) | B26 | C3 | B27 | Cl27 | 108.3(4) | |
| Cl15 | B15 | B16 | C2 | 109.9(4) | B26 | C3 | B27 | B23 | -143.3(4) | |
| Cl15 | B15 | B16 | B12 | 142.9(4) | B26 | C3 | B27 | B28 | -103.5(4) | |
| Cl15 | B15 | B16 | B17 | -154.0(3) | B26 | C3 | B27 | B32 | -40.5(4) | |
| Cl15 | B15 | B16 | B21 | -116.3(4) | B26 | B25 | B30 | Cl30 | -147.4(3) | |
| Cl15 | B15 | B20 | Cl20 | 2.5(6) | B26 | B25 | B30 | B24 | 101.6(4) | |
| Cl15 | B15 | B20 | B14 | -107.4(4) | B26 | B25 | B30 | B29 | 63.9(4) | |
| Cl15 | B15 | B20 | B19 | -144.4(4) | B26 | B25 | B30 | B31 | -37.3(3) | |
| Cl15 | B15 | B20 | B21 | 114.6(4) | B26 | B25 | B30 | B33 | 0.0(5) | |
| Cl15 | B15 | B20 | B22 | 152.0(3) | B26 | B25 | B31 | Cl31 | -110.8(4) | |
| Cl15 | B15 | B21 | Cl21 | -4.1(6) | B26 | B25 | B31 | B30 | 138.9(4) | |
| Cl15 | B15 | B21 | B16 | 106.9(4) | B26 | B25 | B31 | B32 | 38.0(4) | |
| Cl15 | B15 | B21 | B17 | 144.3(4) | B26 | B25 | B31 | B33 | 101.7(4) | |
| Cl15 | B15 | B21 | B20 | -115.1(4) | B26 | B27 | B28 | Cl28 | 147.0(4) | |
| Cl15 | B15 | B21 | B22 | -152.4(4) | B26 | B27 | B28 | B23 | -101.8(4) | |
| Cl16 | B16 | B17 | Cl17 | -2.4(6) | B26 | B27 | B28 | B29 | -64.6(5) | |
| Cl16 | B16 | B17 | B12 | 107.6(4) | B26 | B27 | B28 | B32 | 36.8(4) | |
| Cl16 | B16 | B17 | B18 | 145.2(4) | B26 | B27 | B28 | B33 | -0.9(5) | |
| Cl16 | B16 | B17 | B21 | -113.8(4) | B26 | B27 | B32 | Cl32 | 109.5(4) | |
| Cl16 | B16 | B17 | B22 | -151.3(3) | B26 | B27 | B32 | B28 | -139.1(4) | |
| Cl16 | B16 | B21 | Cl21 | 1.8(6) | B26 | B27 | B32 | B31 | -38.3(4) | |
| Cl16 | B16 | B21 | B15 | -108.3(4) | B26 | B27 | B32 | B33 | -101.6(4) | |
| Cl16 | B16 | B21 | B17 | 113.7(4) | B26 | B31 | B32 | Cl32 | -109.6(4) | |
| Cl16 | B16 | B21 | B20 | -145.8(4) | B26 | B31 | B32 | B27 | 38.3(4) | |
| Cl16 | B16 | B21 | B22 | 151.2(4) | B26 | B31 | B32 | B28 | 101.5(4) | |
| Cl17 | B17 | B18 | Cl18 | -1.7(6) | B26 | B31 | B32 | B33 | 138.6(4) | |
| Cl17 | B17 | B18 | B12 | 109.4(4) | B26 | B31 | B33 | Cl33 | -148.8(4) | |
| Cl17 | B17 | B18 | B13 | 147.6(4) | B26 | B31 | B33 | B28 | -0.3(5) | |
| Cl17 | B17 | B18 | B19 | -148.8(4) | B26 | B31 | B33 | B29 | 63.6(4) | |
| Cl17 | B17 | B18 | B22 | -111.7(4) | B26 | B31 | B33 | B30 | 100.3(4) | |
| Cl17 | B17 | B21 | Cl21 | -0.5(6) | B26 | B31 | B33 | B32 | -37.0(4) | |
| Cl17 | B17 | B21 | B15 | -148.2(4) | B26 | B32 | B33 | Cl33 | 147.4(4) | |
| Cl17 | B17 | B21 | B16 | -110.5(4) | B26 | B32 | B33 | B28 | -101.3(4) | |
| Cl17 | B17 | B21 | B20 | 148.6(4) | B26 | B32 | B33 | B29 | -64.2(5) | |
| Cl17 | B17 | B21 | B22 | 111.5(4) | B26 | B32 | B33 | B30 | -0.9(5) | |
| Cl17 | B17 | B22 | Cl22 | 1.3(6) | B26 | B32 | B33 | B31 | 37.3(4) | |
| Cl17 | B17 | B22 | B18 | 110.6(4) | B27 | C3 | B23 | Cl23 | 108.5(4) | |
| Cl17 | B17 | B22 | B19 | 147.7(3) | B27 | C3 | B23 | B24 | -142.6(4) | |
| Cl17 | B17 | B22 | B20 | -148.6(3) | B27 | C3 | B23 | B28 | -39.3(3) | |
| Cl17 | B17 | B22 | B21 | -111.1(4) | B27 | C3 | B23 | B29 | -102.3(4) | |
| Cl18 | B18 | B19 | Cl19 | 0.7(5) | B27 | C3 | B24 | Cl24 | 146.4(4) | |
| Cl18 | B18 | B19 | B13 | 111.1(4) | B27 | C3 | B24 | B23 | 36.6(4) | |
| Cl18 | B18 | B19 | B14 | 149.3(3) | B27 | C3 | B24 | B25 | -105.4(4) | |
| Cl18 | B18 | B19 | B20 | -147.9(3) | B27 | C3 | B24 | B29 | -3.6(5) | |
| Cl18 | B18 | B19 | B22 | -110.8(4) | B27 | C3 | B24 | B30 | -66.0(4) | |
| Cl18 | B18 | B22 | Cl22 | -0.6(6) | B27 | C3 | B25 | Cl25 | -145.3(4) | |
| Cl18 | B18 | B22 | B17 | -111.8(4) | B27 | C3 | B25 | B24 | 106.9(4) | |
| Cl18 | B18 | B22 | B19 | 109.5(4) | B27 | C3 | B25 | B26 | -36.8(4) | |
| Cl18 | B18 | B22 | B20 | 146.9(4) | B27 | C3 | B25 | B30 | 67.3(5) | |
| Cl18 | B18 | B22 | B21 | -149.1(4) | B27 | C3 | B25 | B31 | 4.0(5) | |
| Cl19 | B19 | B20 | Cl20 | 0.8(6) | B27 | C3 | B26 | Cl26 | -109.3(4) | |
| Cl19 | B19 | B20 | B14 | 111.0(4) | B27 | C3 | B26 | B25 | 141.9(4) | |
| Cl19 | B19 | B20 | B15 | 148.1(3) | B27 | C3 | B26 | B31 | 101.7(4) | |
| Cl19 | B19 | B20 | B21 | -149.0(4) | B27 | C3 | B26 | B32 | 39.9(4) | |
| Cl19 | B19 | B20 | B22 | -111.8(4) | B27 | B23 | B24 | Cl24 | -142.5(4) | |
| Cl19 | B19 | B22 | Cl22 | -1.4(6) | B27 | B23 | B24 | C3 | -32.6(3) | |
| Cl19 | B19 | B22 | B17 | -148.3(4) | B27 | B23 | B24 | B25 | 0.5(5) | |
| Cl19 | B19 | B22 | B18 | -111.3(4) | B27 | B23 | B24 | B29 | 101.3(4) | |
| Cl19 | B19 | B22 | B20 | 110.5(4) | B27 | B23 | B24 | B30 | 63.3(5) | |
| Cl19 | B19 | B22 | B21 | 148.1(4) | B27 | B23 | B28 | Cl28 | 111.5(4) | |
| Cl20 | B20 | B21 | Cl21 | 0.6(6) | B27 | B23 | B28 | B29 | -138.2(4) | |
| Cl20 | B20 | B21 | B15 | 110.5(4) | B27 | B23 | B28 | B32 | -37.0(4) | |
| Cl20 | B20 | B21 | B16 | 148.1(4) | B27 | B23 | B28 | B33 | -101.0(4) | |
| Cl20 | B20 | B21 | B17 | -148.8(4) | B27 | B23 | B29 | Cl29 | 148.3(3) | |
| Cl20 | B20 | B21 | B22 | -111.6(4) | B27 | B23 | B29 | B24 | -100.2(4) | |
| Cl20 | B20 | B22 | Cl22 | -0.4(6) | B27 | B23 | B29 | B28 | 37.1(3) | |
| Cl20 | B20 | B22 | B17 | 149.3(3) | B27 | B23 | B29 | B30 | -62.6(4) | |
| Cl20 | B20 | B22 | B18 | -147.2(4) | B27 | B23 | B29 | B33 | 0.2(5) | |
| Cl20 | B20 | B22 | B19 | -109.7(4) | B27 | B26 | B31 | Cl31 | -149.1(4) | |
| Cl20 | B20 | B22 | B21 | 112.0(4) | B27 | B26 | B31 | B25 | 99.4(4) | |
| Cl21 | B21 | B22 | Cl22 | 1.2(6) | B27 | B26 | B31 | B30 | 62.9(4) | |
| Cl21 | B21 | B22 | B17 | 111.6(4) | B27 | B26 | B31 | B32 | -37.7(4) | |
| Cl21 | B21 | B22 | B18 | 148.8(4) | B27 | B26 | B31 | B33 | -0.3(5) | |
| Cl21 | B21 | B22 | B19 | -147.5(4) | B27 | B26 | B32 | Cl32 | -111.6(4) | |
| Cl21 | B21 | B22 | B20 | -110.1(4) | B27 | B26 | B32 | B28 | 36.6(4) | |
| C2 | B12 | B13 | Cl13 | -110.6(4) | B27 | B26 | B32 | B31 | 137.3(4) | |
| C2 | B12 | B13 | B14 | 33.0(3) | B27 | B26 | B32 | B33 | 100.2(4) | |
| C2 | B12 | B13 | B18 | 133.4(4) | B27 | B28 | B29 | Cl29 | -148.9(4) | |
| C2 | B12 | B13 | B19 | 96.1(4) | B27 | B28 | B29 | B23 | -37.8(4) | |
| C2 | B12 | B16 | Cl16 | 111.6(4) | B27 | B28 | B29 | B24 | 0.0(5) | |
| C2 | B12 | B16 | B15 | -32.9(3) | B27 | B28 | B29 | B30 | 62.7(5) | |
| C2 | B12 | B16 | B17 | -133.4(4) | B27 | B28 | B29 | B33 | 100.6(4) | |
| C2 | B12 | B16 | B21 | -96.2(4) | B27 | B28 | B32 | Cl32 | 110.6(5) | |
| C2 | B12 | B17 | Cl17 | 150.8(3) | B27 | B28 | B32 | B26 | -36.9(4) | |
| C2 | B12 | B17 | B16 | 39.5(3) | B27 | B28 | B32 | B31 | -100.9(4) | |
| C2 | B12 | B17 | B18 | -98.1(4) | B27 | B28 | B32 | B33 | -137.9(4) | |
| C2 | B12 | B17 | B21 | 2.3(5) | B27 | B28 | B33 | Cl33 | 148.9(4) | |
| C2 | B12 | B17 | B22 | -61.3(4) | B27 | B28 | B33 | B29 | -101.3(4) | |
| C2 | B12 | B18 | Cl18 | -150.3(3) | B27 | B28 | B33 | B30 | -63.1(5) | |
| C2 | B12 | B18 | B13 | -39.5(3) | B27 | B28 | B33 | B31 | 0.7(5) | |
| C2 | B12 | B18 | B17 | 98.3(4) | B27 | B28 | B33 | B32 | 37.5(4) | |
| C2 | B12 | B18 | B19 | -2.5(4) | B27 | B32 | B33 | Cl33 | -148.7(4) | |
| C2 | B12 | B18 | B22 | 61.4(4) | B27 | B32 | B33 | B28 | -37.4(3) | |
| C2 | B13 | B14 | Cl14 | -111.6(4) | B27 | B32 | B33 | B29 | -0.3(5) | |
| C2 | B13 | B14 | B15 | 32.8(3) | B27 | B32 | B33 | B30 | 63.0(4) | |
| C2 | B13 | B14 | B19 | 134.6(4) | B27 | B32 | B33 | B31 | 101.2(4) | |
| C2 | B13 | B14 | B20 | 96.7(4) | B28 | B23 | B24 | Cl24 | 154.8(4) | |
| C2 | B13 | B18 | Cl18 | 151.9(4) | B28 | B23 | B24 | C3 | -95.3(4) | |
| C2 | B13 | B18 | B12 | 40.0(3) | B28 | B23 | B24 | B25 | -62.2(4) | |
| C2 | B13 | B18 | B17 | 2.2(5) | B28 | B23 | B24 | B29 | 38.6(4) | |
| C2 | B13 | B18 | B19 | -98.9(4) | B28 | B23 | B24 | B30 | 0.7(5) | |
| C2 | B13 | B18 | B22 | -61.3(4) | B28 | B23 | B27 | Cl27 | -117.0(4) | |
| C2 | B13 | B19 | Cl19 | -150.2(3) | B28 | B23 | B27 | C3 | 134.3(4) | |
| C2 | B13 | B19 | B14 | -38.8(3) | B28 | B23 | B27 | B26 | 101.2(4) | |
| C2 | B13 | B19 | B18 | 98.4(4) | B28 | B23 | B27 | B32 | 37.3(4) | |
| C2 | B13 | B19 | B20 | -1.5(4) | B28 | B23 | B29 | Cl29 | 111.2(4) | |
| C2 | B13 | B19 | B22 | 61.3(4) | B28 | B23 | B29 | B24 | -137.2(4) | |
| C2 | B14 | B15 | Cl15 | -109.7(4) | B28 | B23 | B29 | B30 | -99.7(4) | |
| C2 | B14 | B15 | B16 | 32.7(3) | B28 | B23 | B29 | B33 | -36.9(3) | |
| C2 | B14 | B15 | B20 | 134.0(4) | B28 | B27 | B32 | Cl32 | -111.4(4) | |
| C2 | B14 | B15 | B21 | 96.1(4) | B28 | B27 | B32 | B26 | 139.1(4) | |
| C2 | B14 | B19 | Cl19 | 150.0(3) | B28 | B27 | B32 | B31 | 100.8(4) | |
| C2 | B14 | B19 | B13 | 38.8(3) | B28 | B27 | B32 | B33 | 37.5(3) | |
| C2 | B14 | B19 | B18 | 1.2(4) | B28 | B29 | B30 | Cl30 | 150.8(4) | |
| C2 | B14 | B19 | B20 | -99.2(4) | B28 | B29 | B30 | B24 | -100.2(4) | |
| C2 | B14 | B19 | B22 | -61.5(4) | B28 | B29 | B30 | B25 | -62.1(4) | |
| C2 | B14 | B20 | Cl20 | -151.1(3) | B28 | B29 | B30 | B31 | 1.2(5) | |
| C2 | B14 | B20 | B15 | -39.6(3) | B28 | B29 | B30 | B33 | 37.9(3) | |
| C2 | B14 | B20 | B19 | 98.8(4) | B28 | B29 | B33 | Cl33 | 112.2(4) | |
| C2 | B14 | B20 | B21 | -2.4(5) | B28 | B29 | B33 | B30 | -137.0(4) | |
| C2 | B14 | B20 | B22 | 60.6(4) | B28 | B29 | B33 | B31 | -100.0(4) | |
| C2 | B15 | B16 | Cl16 | -111.3(4) | B28 | B29 | B33 | B32 | -36.8(3) | |
| C2 | B15 | B16 | B12 | 33.0(3) | B28 | B32 | B33 | Cl33 | -111.3(4) | |
| C2 | B15 | B16 | B17 | 96.1(4) | B28 | B32 | B33 | B29 | 37.1(3) | |
| C2 | B15 | B16 | B21 | 133.8(4) | B28 | B32 | B33 | B30 | 100.4(4) | |
| C2 | B15 | B20 | Cl20 | 149.2(3) | B28 | B32 | B33 | B31 | 138.6(4) | |
| C2 | B15 | B20 | B14 | 39.4(3) | B29 | B23 | B24 | Cl24 | 116.2(4) | |
| C2 | B15 | B20 | B19 | 2.4(4) | B29 | B23 | B24 | C3 | -133.9(4) | |
| C2 | B15 | B20 | B21 | -98.6(4) | B29 | B23 | B24 | B25 | -100.8(4) | |
| C2 | B15 | B20 | B22 | -61.3(4) | B29 | B23 | B24 | B30 | -38.0(3) | |
| C2 | B15 | B21 | Cl21 | -150.4(3) | B29 | B23 | B27 | Cl27 | -154.8(4) | |
| C2 | B15 | B21 | B16 | -39.4(3) | B29 | B23 | B27 | C3 | 96.6(4) | |
| C2 | B15 | B21 | B17 | -2.0(5) | B29 | B23 | B27 | B26 | 63.5(5) | |
| C2 | B15 | B21 | B20 | 98.7(4) | B29 | B23 | B27 | B28 | -37.7(3) | |
| C2 | B15 | B21 | B22 | 61.3(4) | B29 | B23 | B27 | B32 | -0.4(5) | |
| C2 | B16 | B17 | Cl17 | -150.0(3) | B29 | B23 | B28 | Cl28 | -110.2(4) | |
| C2 | B16 | B17 | B12 | -40.0(3) | B29 | B23 | B28 | B27 | 138.2(4) | |
| C2 | B16 | B17 | B18 | -2.4(5) | B29 | B23 | B28 | B32 | 101.2(4) | |
| C2 | B16 | B17 | B21 | 98.6(4) | B29 | B23 | B28 | B33 | 37.3(4) | |
| C2 | B16 | B17 | B22 | 61.1(4) | B29 | B24 | B25 | Cl25 | 153.0(3) | |
| C2 | B16 | B21 | Cl21 | 149.6(4) | B29 | B24 | B25 | C3 | -96.8(4) | |
| C2 | B16 | B21 | B15 | 39.5(3) | B29 | B24 | B25 | B26 | -64.0(4) | |
| C2 | B16 | B21 | B17 | -98.4(4) | B29 | B24 | B25 | B30 | 37.6(3) | |
| C2 | B16 | B21 | B20 | 2.1(5) | B29 | B24 | B25 | B31 | 0.3(5) | |
| C2 | B16 | B21 | B22 | -61.0(4) | B29 | B24 | B30 | Cl30 | 113.5(4) | |
| B12 | C2 | B13 | Cl13 | 108.7(4) | B29 | B24 | B30 | B25 | -138.0(4) | |
| B12 | C2 | B13 | B14 | -142.6(4) | B29 | B24 | B30 | B31 | -101.2(4) | |
| B12 | C2 | B13 | B18 | -40.3(3) | B29 | B24 | B30 | B33 | -37.8(3) | |
| B12 | C2 | B13 | B19 | -103.3(4) | B29 | B28 | B32 | Cl32 | -148.6(4) | |
| B12 | C2 | B14 | Cl14 | 145.8(3) | B29 | B28 | B32 | B26 | 63.9(5) | |
| B12 | C2 | B14 | B13 | 36.6(3) | B29 | B28 | B32 | B27 | 100.8(4) | |
| B12 | C2 | B14 | B15 | -106.4(4) | B29 | B28 | B32 | B31 | -0.1(5) | |
| B12 | C2 | B14 | B19 | -3.0(5) | B29 | B28 | B32 | B33 | -37.1(4) | |
| B12 | C2 | B14 | B20 | -66.1(4) | B29 | B28 | B33 | Cl33 | -109.8(4) | |
| B12 | C2 | B15 | Cl15 | -144.5(3) | B29 | B28 | B33 | B30 | 38.2(3) | |
| B12 | C2 | B15 | B14 | 106.5(4) | B29 | B28 | B33 | B31 | 102.0(4) | |
| B12 | C2 | B15 | B16 | -36.4(4) | B29 | B28 | B33 | B32 | 138.8(4) | |
| B12 | C2 | B15 | B20 | 66.6(4) | B29 | B30 | B31 | Cl31 | 147.5(3) | |
| B12 | C2 | B15 | B21 | 3.7(5) | B29 | B30 | B31 | B25 | -101.1(4) | |
| B12 | C2 | B16 | Cl16 | -108.3(4) | B29 | B30 | B31 | B26 | -64.4(4) | |
| B12 | C2 | B16 | B15 | 142.8(4) | B29 | B30 | B31 | B32 | -1.3(5) | |
| B12 | C2 | B16 | B17 | 40.3(3) | B29 | B30 | B31 | B33 | 37.0(3) | |
| B12 | C2 | B16 | B21 | 102.8(4) | B29 | B30 | B33 | Cl33 | 110.0(4) | |
| B12 | B13 | B14 | Cl14 | -144.8(3) | B29 | B30 | B33 | B28 | -38.4(3) | |
| B12 | B13 | B14 | C2 | -33.2(3) | B29 | B30 | B33 | B31 | -139.1(4) | |
| B12 | B13 | B14 | B15 | -0.4(5) | B29 | B30 | B33 | B32 | -101.3(4) | |
| B12 | B13 | B14 | B19 | 101.4(4) | B30 | B24 | B25 | Cl25 | 115.4(4) | |
| B12 | B13 | B14 | B20 | 63.5(4) | B30 | B24 | B25 | C3 | -134.4(4) | |
| B12 | B13 | B18 | Cl18 | 111.9(4) | B30 | B24 | B25 | B26 | -101.6(4) | |
| B12 | B13 | B18 | B17 | -37.8(3) | B30 | B24 | B25 | B31 | -37.3(3) | |
| B12 | B13 | B18 | B19 | -138.9(4) | B30 | B24 | B29 | Cl29 | -111.2(4) | |
| B12 | B13 | B18 | B22 | -101.3(4) | B30 | B24 | B29 | B23 | 137.6(4) | |
| B12 | B13 | B19 | Cl19 | 148.2(4) | B30 | B24 | B29 | B28 | 99.9(4) | |
| B12 | B13 | B19 | B14 | -100.5(4) | B30 | B24 | B29 | B33 | 37.2(3) | |
| B12 | B13 | B19 | B18 | 36.8(3) | B30 | B25 | B26 | Cl26 | 153.8(4) | |
| B12 | B13 | B19 | B20 | -63.2(4) | B30 | B25 | B26 | C3 | -96.1(4) | |
| B12 | B13 | B19 | B22 | -0.3(5) | B30 | B25 | B26 | B27 | -63.0(5) | |
| B12 | B16 | B17 | Cl17 | -110.0(4) | B30 | B25 | B26 | B31 | 37.5(3) | |
| B12 | B16 | B17 | B18 | 37.6(3) | B30 | B25 | B26 | B32 | -0.5(5) | |
| B12 | B16 | B17 | B21 | 138.6(4) | B30 | B25 | B31 | Cl31 | 110.3(4) | |
| B12 | B16 | B17 | B22 | 101.0(4) | B30 | B25 | B31 | B26 | -138.9(4) | |
| B12 | B16 | B21 | Cl21 | -148.9(4) | B30 | B25 | B31 | B32 | -100.9(4) | |
| B12 | B16 | B21 | B15 | 101.0(4) | B30 | B25 | B31 | B33 | -37.2(3) | |
| B12 | B16 | B21 | B17 | -36.9(3) | B30 | B29 | B33 | Cl33 | -110.8(4) | |
| B12 | B16 | B21 | B20 | 63.6(5) | B30 | B29 | B33 | B28 | 137.0(4) | |
| B12 | B16 | B21 | B22 | 0.6(5) | B30 | B29 | B33 | B31 | 37.0(3) | |
| B12 | B17 | B18 | Cl18 | -111.1(4) | B30 | B29 | B33 | B32 | 100.2(4) | |
| B12 | B17 | B18 | B13 | 38.2(3) | B30 | B31 | B32 | Cl32 | 149.6(4) | |
| B12 | B17 | B18 | B19 | 101.7(4) | B30 | B31 | B32 | B26 | -100.7(4) | |
| B12 | B17 | B18 | B22 | 138.9(4) | B30 | B31 | B32 | B27 | -62.4(5) | |
| B12 | B17 | B21 | Cl21 | 147.5(4) | B30 | B31 | B32 | B28 | 0.8(5) | |
| B12 | B17 | B21 | B15 | -0.2(5) | B30 | B31 | B32 | B33 | 37.9(4) | |
| B12 | B17 | B21 | B16 | 37.5(3) | B30 | B31 | B33 | Cl33 | 110.9(4) | |
| B12 | B17 | B21 | B20 | -63.4(5) | B30 | B31 | B33 | B28 | -100.6(4) | |
| B12 | B17 | B21 | B22 | -100.4(4) | B30 | B31 | B33 | B29 | -36.8(3) | |
| B12 | B17 | B22 | Cl22 | -145.9(4) | B30 | B31 | B33 | B32 | -137.4(4) | |
| B12 | B17 | B22 | B18 | -36.6(3) | B31 | B25 | B26 | Cl26 | 116.4(4) | |
| B12 | B17 | B22 | B19 | 0.5(5) | B31 | B25 | B26 | C3 | -133.6(4) | |
| B12 | B17 | B22 | B20 | 64.1(4) | B31 | B25 | B26 | B27 | -100.5(4) | |
| B12 | B17 | B22 | B21 | 101.7(4) | B31 | B25 | B26 | B32 | -38.0(4) | |
| B12 | B18 | B19 | Cl19 | -147.8(3) | B31 | B25 | B30 | Cl30 | -110.2(4) | |
| B12 | B18 | B19 | B13 | -37.4(3) | B31 | B25 | B30 | B24 | 138.9(4) | |
| B12 | B18 | B19 | B14 | 0.8(4) | B31 | B25 | B30 | B29 | 101.2(4) | |
| B12 | B18 | B19 | B20 | 63.6(4) | B31 | B25 | B30 | B33 | 37.2(3) | |
| B12 | B18 | B19 | B22 | 100.7(4) | B31 | B26 | B27 | Cl27 | 155.1(4) | |
| B12 | B18 | B22 | Cl22 | 148.1(3) | B31 | B26 | B27 | C3 | -95.8(4) | |
| B12 | B18 | B22 | B17 | 36.8(3) | B31 | B26 | B27 | B23 | -63.0(5) | |
| B12 | B18 | B22 | B19 | -101.9(4) | B31 | B26 | B27 | B28 | 0.8(5) | |
| B12 | B18 | B22 | B20 | -64.5(4) | B31 | B26 | B27 | B32 | 37.8(4) | |
| B12 | B18 | B22 | B21 | -0.5(5) | B31 | B26 | B32 | Cl32 | 111.1(4) | |
| B13 | C2 | B12 | Cl12 | -108.7(4) | B31 | B26 | B32 | B27 | -137.3(4) | |
| B13 | C2 | B12 | B16 | 143.0(4) | B31 | B26 | B32 | B28 | -100.7(4) | |
| B13 | C2 | B12 | B17 | 102.7(4) | B31 | B26 | B32 | B33 | -37.1(4) | |
| B13 | C2 | B12 | B18 | 40.2(3) | B31 | B30 | B33 | Cl33 | -110.9(4) | |
| B13 | C2 | B14 | Cl14 | 109.2(4) | B31 | B30 | B33 | B28 | 100.7(4) | |
| B13 | C2 | B14 | B15 | -143.0(4) | B31 | B30 | B33 | B29 | 139.1(4) | |
| B13 | C2 | B14 | B19 | -39.6(3) | B31 | B30 | B33 | B32 | 37.8(3) | |
| B13 | C2 | B14 | B20 | -102.7(4) | B31 | B32 | B33 | Cl33 | 110.1(4) | |
| B13 | C2 | B15 | Cl15 | 145.3(3) | B31 | B32 | B33 | B28 | -138.6(4) | |
| B13 | C2 | B15 | B14 | 36.3(4) | B31 | B32 | B33 | B29 | -101.5(4) | |
| B13 | C2 | B15 | B16 | -106.6(4) | B31 | B32 | B33 | B30 | -38.2(3) | |
| B13 | C2 | B15 | B20 | -3.6(5) | B32 | B26 | B27 | Cl27 | 117.3(5) | |
| B13 | C2 | B15 | B21 | -66.5(4) | B32 | B26 | B27 | C3 | -133.6(4) | |
| B13 | C2 | B16 | Cl16 | -144.5(4) | B32 | B26 | B27 | B23 | -100.8(4) | |
| B13 | C2 | B16 | B12 | -36.2(4) | B32 | B26 | B27 | B28 | -37.0(4) | |
| B13 | C2 | B16 | B15 | 106.6(4) | B32 | B26 | B31 | Cl31 | -111.4(4) | |
| B13 | C2 | B16 | B17 | 4.1(5) | B32 | B26 | B31 | B25 | 137.1(4) | |
| B13 | C2 | B16 | B21 | 66.6(4) | B32 | B26 | B31 | B30 | 100.6(4) | |
| B13 | B12 | B16 | Cl16 | 144.0(4) | B32 | B26 | B31 | B33 | 37.4(4) | |
| B13 | B12 | B16 | C2 | 32.4(3) | B32 | B27 | B28 | Cl28 | 110.1(4) | |
| B13 | B12 | B16 | B15 | -0.5(5) | B32 | B27 | B28 | B23 | -138.7(4) | |
| B13 | B12 | B16 | B17 | -101.0(4) | B32 | B27 | B28 | B29 | -101.4(4) | |
| B13 | B12 | B16 | B21 | -63.7(4) | B32 | B27 | B28 | B33 | -37.8(4) | |
| B13 | B12 | B17 | Cl17 | -148.6(4) | B32 | B28 | B29 | Cl29 | 147.7(4) | |
| B13 | B12 | B17 | B16 | 100.1(4) | B32 | B28 | B29 | B23 | -101.1(4) | |
| B13 | B12 | B17 | B18 | -37.5(3) | B32 | B28 | B29 | B24 | -63.3(5) | |
| B13 | B12 | B17 | B21 | 62.9(5) | B32 | B28 | B29 | B30 | -0.7(5) | |
| B13 | B12 | B17 | B22 | -0.7(5) | B32 | B28 | B29 | B33 | 37.2(4) | |
| B13 | B12 | B18 | Cl18 | -110.8(4) | B32 | B28 | B33 | Cl33 | 111.4(4) | |
| B13 | B12 | B18 | B17 | 137.8(4) | B32 | B28 | B33 | B29 | -138.8(4) | |
| B13 | B12 | B18 | B19 | 37.0(3) | B32 | B28 | B33 | B30 | -100.6(4) | |
| B13 | B12 | B18 | B22 | 100.9(4) | B32 | B28 | B33 | B31 | -36.8(3) | |
| B13 | B14 | B15 | Cl15 | -142.3(4) | B32 | B31 | B33 | Cl33 | -111.7(4) | |
| B13 | B14 | B15 | C2 | -32.6(3) | B32 | B31 | B33 | B28 | 36.8(4) | |
| B13 | B14 | B15 | B16 | 0.1(5) | B32 | B31 | B33 | B29 | 100.6(4) | |
| B13 | B14 | B15 | B20 | 101.4(4) | B32 | B31 | B33 | B30 | 137.4(4) | |
| B13 | B14 | B15 | B21 | 63.5(4) | B33 | B28 | B29 | Cl29 | 110.5(4) | |
| B13 | B14 | B19 | Cl19 | 111.1(4) | B33 | B28 | B29 | B23 | -138.4(4) | |
| B13 | B14 | B19 | B18 | -37.6(3) | B33 | B28 | B29 | B24 | -100.5(4) | |
| B13 | B14 | B19 | B20 | -138.1(4) | B33 | B28 | B29 | B30 | -37.9(3) | |
| B13 | B14 | B19 | B22 | -100.3(4) | B33 | B28 | B32 | Cl32 | -111.5(5) | |
| B13 | B14 | B20 | Cl20 | 147.7(3) | B33 | B28 | B32 | B26 | 101.0(4) | |
| B13 | B14 | B20 | B15 | -100.8(4) | B33 | B28 | B32 | B27 | 137.9(4) | |
| B13 | B14 | B20 | B19 | 37.6(3) | B33 | B28 | B32 | B31 | 37.0(4) | |
| B13 | B14 | B20 | B21 | -63.6(4) | B33 | B29 | B30 | Cl30 | 112.9(4) | |
| B13 | B14 | B20 | B22 | -0.6(5) | B33 | B29 | B30 | B24 | -138.0(4) | |
| B13 | B18 | B19 | Cl19 | -110.4(4) | B33 | B29 | B30 | B25 | -100.0(4) | |
| B13 | B18 | B19 | B14 | 38.2(3) | B33 | B29 | B30 | B31 | -36.7(3) | |
| B13 | B18 | B19 | B20 | 101.0(4) | B33 | B30 | B31 | Cl31 | 110.6(4) | |
| B13 | B18 | B19 | B22 | 138.1(4) | B33 | B30 | B31 | B25 | -138.1(4) | |
| B13 | B18 | B22 | Cl22 | -147.5(4) | B33 | B30 | B31 | B26 | -101.4(4) | |
| B13 | B18 | B22 | B17 | 101.2(4) | B33 | B30 | B31 | B32 | -38.2(4) | |
| B13 | B18 | B22 | B19 | -37.5(3) | B33 | B31 | B32 | Cl32 | 111.8(5) | |
| B13 | B18 | B22 | B20 | -0.1(5) | B33 | B31 | B32 | B26 | -138.6(4) | |
| B13 | B18 | B22 | B21 | 63.9(5) | B33 | B31 | B32 | B27 | -100.3(4) | |
| B13 | B19 | B20 | Cl20 | -147.8(3) | B33 | B31 | B32 | B28 | -37.1(4) | |
| B13 | B19 | B20 | B14 | -37.7(3) | F1 | C4 | C5 | F2 | 1.2(9) | |
| B13 | B19 | B20 | B15 | -0.6(5) | F1 | C4 | C5 | C6 | -178.0(6) | |
| B13 | B19 | B20 | B21 | 62.3(4) | F1 | C4 | C9 | C8 | 178.8(6) | |
| B13 | B19 | B20 | B22 | 99.5(4) | F2 | C5 | C6 | C7 | 179.8(6) | |
| B13 | B19 | B22 | Cl22 | 146.8(3) | C4 | C5 | C6 | C7 | -1.1(10) | |
| B13 | B19 | B22 | B17 | -0.1(5) | C5 | C4 | C9 | C8 | 0.1(9) | |
| B13 | B19 | B22 | B18 | 36.9(3) | C5 | C6 | C7 | C8 | 0.6(10) | |
| B13 | B19 | B22 | B20 | -101.3(4) | C6 | C7 | C8 | C9 | 0.2(11) | |
| B13 | B19 | B22 | B21 | -63.7(4) | C7 | C8 | C9 | C4 | -0.6(10) | |
| B14 | C2 | B12 | Cl12 | -145.4(3) | C9 | C4 | C5 | F2 | 179.9(6) | |
| B14 | C2 | B12 | B13 | -36.7(3) | C9 | C4 | C5 | C6 | 0.7(10) | |
| B14 | C2 | B12 | B16 | 106.3(4) | F3 | C10 | C11 | F4 | -2.4(10) | |
| B14 | C2 | B12 | B17 | 66.0(4) | F3 | C10 | C11 | C12 | 179.9(6) | |
| B14 | C2 | B12 | B18 | 3.5(4) | F3 | C10 | C15 | C14 | -179.3(7) | |
| B14 | C2 | B13 | Cl13 | -108.7(4) | F4 | C11 | C12 | C13 | -178.6(6) | |
| B14 | C2 | B13 | B12 | 142.6(4) | C10 | C11 | C12 | C13 | -1.1(10) | |
| B14 | C2 | B13 | B18 | 102.3(4) | C11 | C10 | C15 | C14 | 0.0(13) | |
| B14 | C2 | B13 | B19 | 39.3(3) | C11 | C12 | C13 | C14 | 1.0(10) | |
| B14 | C2 | B15 | Cl15 | 109.0(4) | C12 | C13 | C14 | C15 | -0.5(12) | |
| B14 | C2 | B15 | B16 | -142.9(4) | C13 | C14 | C15 | C10 | -0.1(13) | |
| B14 | C2 | B15 | B20 | -39.9(3) | C15 | C10 | C11 | F4 | 178.2(7) | |
| B14 | C2 | B15 | B21 | -102.7(4) | C15 | C10 | C11 | C12 | 0.5(11) | |
| B14 | C2 | B16 | Cl16 | 145.0(4) | F5 | C16 | C17 | F6 | -0.9(9) | |
| B14 | C2 | B16 | B12 | -106.7(4) | F5 | C16 | C17 | C18 | 178.4(6) | |
| B14 | C2 | B16 | B15 | 36.1(4) | F5 | C16 | C21 | C20 | -178.4(6) | |
| B14 | C2 | B16 | B17 | -66.4(4) | F6 | C17 | C18 | C19 | 179.3(5) | |
| B14 | C2 | B16 | B21 | -3.9(5) | C16 | C17 | C18 | C19 | 0.0(9) | |
| B14 | B13 | B18 | Cl18 | -147.1(4) | C17 | C16 | C21 | C20 | 0.7(11) | |
| B14 | B13 | B18 | B12 | 101.0(4) | C17 | C18 | C19 | C20 | 0.8(10) | |
| B14 | B13 | B18 | B17 | 63.2(4) | C18 | C19 | C20 | C21 | -0.8(10) | |
| B14 | B13 | B18 | B19 | -37.9(3) | C19 | C20 | C21 | C16 | 0.1(11) | |
| B14 | B13 | B18 | B22 | -0.3(5) | C21 | C16 | C17 | F6 | 179.9(6) | |
| B14 | B13 | B19 | Cl19 | -111.3(4) | C21 | C16 | C17 | C18 | -0.8(10) |
| Atom | x | y | z | U(eq) |
|---|---|---|---|---|
| H1A | 5330.45 | 1686.65 | 6608.27 | 40 |
| H1B | 5975.77 | 914.63 | 6166.98 | 40 |
| H2A | 5359.6 | 2574.06 | 7505.29 | 75 |
| H2B | 6293.29 | 2661.69 | 7533.91 | 75 |
| H3A | 4473.03 | 672.36 | 8029.84 | 101 |
| H3B | 4428.43 | 892.76 | 7404.94 | 101 |
| H4A | 7973.11 | 1583.65 | 7046.74 | 101 |
| H4B | 8127.32 | 1848.31 | 6410.51 | 101 |
| H5A | 6224.12 | 1402.77 | 8574.23 | 62 |
| H5B | 6840.25 | 467.07 | 8541.45 | 62 |
| H6A | 7604.26 | -1102.06 | 6309.64 | 65 |
| H6B | 7568.8 | -337.77 | 5914.5 | 65 |
| H7A | 7136.9 | -1400.56 | 7750.66 | 93 |
| H7B | 6060.77 | -1229.49 | 7708.9 | 93 |
| H8A | 8400.05 | 288.46 | 7683.81 | 97 |
| H8B | 8282.5 | -634.78 | 7580.45 | 97 |
| H1 | 280.57 | 2831.83 | 9666.11 | 41 |
| H2 | 5857.89 | 2105.32 | 3514.54 | 16 |
| H3 | 10446.27 | 4927.8 | 4168.46 | 19 |
| H6 | 2411.44 | 5036.57 | 7974.49 | 51 |
| H7 | 1237.13 | 5646.62 | 7401.68 | 53 |
| H8 | 1380.7 | 4802.65 | 6430.71 | 55 |
| H9 | 2668.42 | 3363.68 | 6032.45 | 46 |
| H12 | 5140.03 | 6525.74 | 9742.2 | 53 |
| H13 | 4050.54 | 8004.15 | 9646.32 | 61 |
| H14 | 2869.74 | 8072.21 | 9093.31 | 77 |
| H15 | 2793.86 | 6645.17 | 8611.91 | 80 |
| H18 | 9945.76 | 2357.01 | 7759.93 | 50 |
| H19 | 10124.56 | 3489.18 | 8484.07 | 48 |
| H20 | 8751.8 | 4204.62 | 9416.51 | 47 |
| H21 | 7178.08 | 3826.55 | 9620.68 | 54 |
Experimental
Single crystals of C21H31B33O8F6Cl33Gd [rudi002] were []. A suitable crystal was selected and [] on a Bruker Venture Photon III diffractometer. The crystal was kept at 100.00 K during data collection. Using Olex2 [1], the structure was solved with the SHELXT [2] structure solution program using Intrinsic Phasing and refined with the SHELXL [3] refinement package using Least Squares minimisation.
Crystal structure determination of [rudi002]
Crystal Data for C21H31B33O8F6Cl33Gd (M =2209.29 g/mol): triclinic, space group P-1 (no. 2), a = 14.1859(5) Å, b = 14.2782(5) Å, c = 21.3407(8) Å, α = 89.739(2)°, β = 72.199(2)°, γ = 74.792(2)°, V = 3958.0(3) Å3, Z = 2, T = 100.00 K, μ(CuKα) = 16.151 mm-1, Dcalc = 1.854 g/cm3, 129975 reflections measured (6.436° ≤ 2Θ ≤ 149.256°), 15871 unique (Rint = 0.0577, Rsigma = 0.0318) which were used in all calculations. The final R1 was 0.0497 (I > 2σ(I)) and wR2 was 0.1168 (all data).
Refinement model description
Number of restraints - 7, number of constraints - unknown.
Details:
1. Fixed Uiso
At 1.2 times of:
All C(H) groups
At 1.5 times of:
All O(H,H) groups
2. Restrained distances
Gd1-H4A ≈ Gd1-H4B
with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(O7) ≈ Ueq: with sigma of 0.004 and sigma for terminal atoms of 0.008
4.a Rotating group:
O1(H1A,H1B), O2(H2A,H2B), O3(H3A,H3B), O4(H4A,H4B), O5(H5A,H5B), O6(H6A,H6B),
O7(H7A,H7B), O8(H8A,H8B)
4.b Aromatic/amide H refined with riding coordinates:
C6(H6), C7(H7), C8(H8), C9(H9), C12(H12), C13(H13), C14(H14), C15(H15),
C18(H18), C19(H19), C20(H20), C21(H21)
4.c Boron cage BH refined with riding coordinates:
C1(H1), C2(H2), C3(H3)
This report has been created with Olex2, compiled on 2025.07.13 svn.rb7424aed for OlexSys. Please let us know if there are any errors or if you would like to have additional features.