      Table 1.  Crystal data and structure refinement for clav002. 
  
  
      Identification code               clav002 
  
      Empirical formula                 C51 H38 O6 P2 Ru S2 
  
      Formula weight                    973.94 
  
      Temperature                       250(2) K 
  
      Wavelength                        0.71073 A 
  
      Crystal system, space group       Triclinic,  P1 
  
      Unit cell dimensions              a = 10.3632(8) A   alpha = 117.7440(10) deg. 
                                        b = 11.2217(9) A    beta = 107.5880(10) deg. 
                                        c = 11.5003(9) A   gamma = 95.6220(10) deg. 
  
      Volume                            1082.24(15) A^3 
  
      Z, Calculated density             1,  1.494 Mg/m^3 
  
      Absorption coefficient            0.585 mm^-1 
  
      F(000)                            498 
  
      Crystal size                      0.33 x 0.22 x 0.15 mm 
  
      Theta range for data collection   2.11 to 27.52 deg. 
  
      Limiting indices                  -13<=h<=13, -14<=k<=14, -14<=l<=14 
  
      Reflections collected / unique    14403 / 9688 [R(int) = 0.0168] 
  
      Completeness to theta = 25.00     100.0 % 
  
      Absorption correction             Semi-empirical from equivalents 
  
      Max. and min. transmission        0.9169 and 0.8300 
  
      Refinement method                 Full-matrix least-squares on F^2 
  
      Data / restraints / parameters    9688 / 3 / 559 
  
      Goodness-of-fit on F^2            1.018 
  
      Final R indices [I>2sigma(I)]     R1 = 0.0283, wR2 = 0.0654 
  
      R indices (all data)              R1 = 0.0295, wR2 = 0.0664 
  
      Absolute structure parameter      -0.018(14) 
  
      Largest diff. peak and hole       0.442 and -0.229 e.A^-3 
  
         Table 2.  Atomic coordinates ( x 10^4) and equivalent isotropic 
         displacement parameters (A^2 x 10^3) for clav002. 
         U(eq) is defined as one third of the trace of the orthogonalized 
         Uij tensor. 
  
         ________________________________________________________________ 
  
                         x             y             z           U(eq) 
         ________________________________________________________________ 
  
          Ru(1)         555(1)       8352(1)      -1433(1)       19(1) 
          P(1)        -1192(1)       6445(1)      -2071(1)       23(1) 
          P(2)         -114(1)      10118(1)         26(1)       21(1) 
          S(1)           96(1)       6652(1)      -4283(1)       26(1) 
          S(2)         3247(1)      10989(1)        -54(1)       33(1) 
          O(1)         1272(2)       6836(2)      -3038(2)       30(1) 
          O(2)         -535(2)       7824(2)      -3711(2)       26(1) 
          O(3)          438(3)       6470(2)      -5458(2)       43(1) 
          O(4)         1952(2)       9934(2)      -1319(2)       30(1) 
          O(5)         3851(3)      11949(3)       -366(3)       58(1) 
          O(6)         4196(2)      10350(3)        498(3)       54(1) 
          C(1)         1676(3)       8397(3)        194(3)       26(1) 
          C(2)         2477(3)       8359(3)       1231(3)       36(1) 
          C(3)         3306(3)       8369(3)       2398(3)       33(1) 
          C(4)         3999(4)       6289(4)        948(4)       46(1) 
          C(5)         4858(4)       5408(4)        815(5)       58(1) 
          C(6)         5914(4)       5626(4)       2030(5)       59(1) 
          C(7)         6119(4)       6704(4)       3356(4)       53(1) 
          C(8)         5256(3)       7585(4)       3491(4)       43(1) 
          C(9)         4186(3)       7393(3)       2285(3)       34(1) 
          C(10)        3008(3)       8976(4)       4678(3)       44(1) 
          C(11)        2937(4)       9954(5)       5945(4)       59(1) 
          C(12)        3160(4)      11343(5)       6345(4)       64(1) 
          C(13)        3471(4)      11779(4)       5492(4)       58(1) 
          C(14)        3528(3)      10823(3)       4223(3)       42(1) 
          C(15)        3313(3)       9409(3)       3806(3)       35(1) 
          C(16)       -1176(3)       5103(3)      -4868(3)       26(1) 
          C(17)       -1698(3)       4022(3)      -6305(3)       34(1) 
          C(18)       -2655(4)       2811(3)      -6758(4)       43(1) 
          C(19)       -3094(4)       2639(3)      -5811(4)       46(1) 
          C(20)       -2602(3)       3713(3)      -4396(3)       37(1) 
          C(21)       -1633(3)       4981(3)      -3895(3)       27(1) 
          C(22)       -3321(3)       7521(3)      -2862(3)       32(1) 
          C(23)       -4624(3)       7795(4)      -3040(3)       45(1) 
          C(24)       -5549(4)       7243(4)      -2680(4)       58(1) 
          C(25)       -5231(4)       6347(5)      -2189(4)       60(1) 
          C(26)       -3933(4)       6064(4)      -1992(4)       45(1) 
          C(27)       -2947(3)       6682(3)      -2295(3)       29(1) 
          C(28)          26(4)       4740(4)      -1238(4)       50(1) 
          C(29)         570(4)       4341(4)       -229(5)       71(1) 
          C(30)         335(5)       4928(5)       1023(6)       83(2) 
          C(31)        -423(5)       5861(5)       1277(4)       74(1) 
          C(32)        -976(4)       6263(4)        308(3)       51(1) 
          C(33)        -738(3)       5693(3)       -959(3)       37(1) 
          C(34)        2693(3)      12010(3)       1332(3)       27(1) 
          C(35)        3732(3)      13266(3)       2452(3)       39(1) 
          C(36)        3509(4)      14184(3)       3627(4)       44(1) 
          C(37)        2219(3)      13893(3)       3712(3)       40(1) 
          C(38)        1187(3)      12668(3)       2621(3)       32(1) 
          C(39)        1391(3)      11685(3)       1413(3)       26(1) 
          C(40)       -1200(3)      10658(3)      -2153(3)       32(1) 
          C(41)       -2086(4)      11143(4)      -2895(4)       46(1) 
          C(42)       -3040(4)      11766(4)      -2418(4)       52(1) 
          C(43)       -3062(4)      12000(4)      -1138(5)       54(1) 
          C(44)       -2159(3)      11545(3)       -356(4)       38(1) 
          C(45)       -1253(3)      10833(3)       -885(3)       25(1) 
          C(46)       -2412(3)       9440(3)        687(3)       28(1) 
          C(47)       -2983(3)       9162(3)       1519(3)       39(1) 
          C(48)       -2110(4)       9237(4)       2739(4)       48(1) 
          C(49)        -673(4)       9594(4)       3149(4)       48(1) 
          C(50)         -89(3)       9872(3)       2326(3)       36(1) 
          C(51)        -956(3)       9801(3)       1091(3)       26(1) 
         ________________________________________________________________ 
  
           Table 3.  Bond lengths [A] and angles [deg] for clav002. 
           _____________________________________________________________ 
  
            Ru(1)-C(1)                    1.855(3) 
            Ru(1)-O(4)                    2.105(2) 
            Ru(1)-O(1)                    2.237(2) 
            Ru(1)-P(2)                    2.2582(7) 
            Ru(1)-O(2)                    2.2642(18) 
            Ru(1)-P(1)                    2.3177(7) 
            Ru(1)-S(1)                    2.7692(7) 
            P(1)-C(33)                    1.814(3) 
            P(1)-C(27)                    1.822(3) 
            P(1)-C(21)                    1.837(3) 
            P(2)-C(45)                    1.833(3) 
            P(2)-C(51)                    1.838(3) 
            P(2)-C(39)                    1.848(3) 
            S(1)-O(3)                     1.428(2) 
            S(1)-O(1)                     1.483(2) 
            S(1)-O(2)                     1.487(2) 
            S(1)-C(16)                    1.772(3) 
            S(2)-O(5)                     1.431(2) 
            S(2)-O(6)                     1.439(3) 
            S(2)-O(4)                     1.491(2) 
            S(2)-C(34)                    1.779(3) 
            C(1)-C(2)                     1.252(4) 
            C(2)-C(3)                     1.352(4) 
            C(3)-C(9)                     1.477(4) 
            C(3)-C(15)                    1.489(4) 
            C(4)-C(5)                     1.381(5) 
            C(4)-C(9)                     1.391(5) 
            C(5)-C(6)                     1.384(6) 
            C(6)-C(7)                     1.367(6) 
            C(7)-C(8)                     1.385(5) 
            C(8)-C(9)                     1.395(4) 
            C(10)-C(11)                   1.388(5) 
            C(10)-C(15)                   1.399(4) 
            C(11)-C(12)                   1.376(6) 
            C(12)-C(13)                   1.383(6) 
            C(13)-C(14)                   1.375(5) 
            C(14)-C(15)                   1.399(4) 
            C(16)-C(21)                   1.395(4) 
            C(16)-C(17)                   1.400(4) 
            C(17)-C(18)                   1.366(5) 
            C(18)-C(19)                   1.382(5) 
            C(19)-C(20)                   1.383(5) 
            C(20)-C(21)                   1.404(4) 
            C(22)-C(23)                   1.390(4) 
            C(22)-C(27)                   1.397(4) 
            C(23)-C(24)                   1.355(5) 
            C(24)-C(25)                   1.386(6) 
            C(25)-C(26)                   1.389(5) 
            C(26)-C(27)                   1.395(4) 
            C(28)-C(33)                   1.369(5) 
            C(28)-C(29)                   1.415(5) 
            C(29)-C(30)                   1.387(7) 
            C(30)-C(31)                   1.347(8) 
            C(31)-C(32)                   1.380(5) 
            C(32)-C(33)                   1.404(5) 
            C(34)-C(39)                   1.405(4) 
            C(34)-C(35)                   1.406(4) 
            C(35)-C(36)                   1.371(5) 
            C(36)-C(37)                   1.388(5) 
            C(37)-C(38)                   1.380(4) 
            C(38)-C(39)                   1.410(4) 
            C(40)-C(41)                   1.388(4) 
            C(40)-C(45)                   1.396(4) 
            C(41)-C(42)                   1.368(5) 
            C(42)-C(43)                   1.378(6) 
            C(43)-C(44)                   1.399(4) 
            C(44)-C(45)                   1.389(4) 
            C(46)-C(51)                   1.392(4) 
            C(46)-C(47)                   1.396(4) 
            C(47)-C(48)                   1.378(5) 
            C(48)-C(49)                   1.373(5) 
            C(49)-C(50)                   1.394(4) 
            C(50)-C(51)                   1.393(4) 
  
            C(1)-Ru(1)-O(4)              98.94(10) 
            C(1)-Ru(1)-O(1)             100.18(10) 
            O(4)-Ru(1)-O(1)              85.95(8) 
            C(1)-Ru(1)-P(2)              86.59(9) 
            O(4)-Ru(1)-P(2)              85.67(6) 
            O(1)-Ru(1)-P(2)             169.96(6) 
            C(1)-Ru(1)-O(2)             163.91(9) 
            O(4)-Ru(1)-O(2)              82.26(7) 
            O(1)-Ru(1)-O(2)              63.82(7) 
            P(2)-Ru(1)-O(2)             109.50(5) 
            C(1)-Ru(1)-P(1)              92.25(8) 
            O(4)-Ru(1)-P(1)             167.82(5) 
            O(1)-Ru(1)-P(1)              87.37(6) 
            P(2)-Ru(1)-P(1)              99.86(3) 
            O(2)-Ru(1)-P(1)              85.66(5) 
            C(1)-Ru(1)-S(1)             131.51(9) 
            O(4)-Ru(1)-S(1)              88.75(5) 
            O(1)-Ru(1)-S(1)              32.29(5) 
            P(2)-Ru(1)-S(1)             141.88(2) 
            O(2)-Ru(1)-S(1)              32.43(5) 
            P(1)-Ru(1)-S(1)              80.19(2) 
            C(33)-P(1)-C(27)            109.29(14) 
            C(33)-P(1)-C(21)            104.67(15) 
            C(27)-P(1)-C(21)             98.13(13) 
            C(33)-P(1)-Ru(1)            114.67(10) 
            C(27)-P(1)-Ru(1)            116.28(9) 
            C(21)-P(1)-Ru(1)            112.01(10) 
            C(45)-P(2)-C(51)            106.96(12) 
            C(45)-P(2)-C(39)            101.86(12) 
            C(51)-P(2)-C(39)            102.29(12) 
            C(45)-P(2)-Ru(1)            113.54(9) 
            C(51)-P(2)-Ru(1)            117.99(9) 
            C(39)-P(2)-Ru(1)            112.44(9) 
            O(3)-S(1)-O(1)              115.70(14) 
            O(3)-S(1)-O(2)              114.93(13) 
            O(1)-S(1)-O(2)              106.49(11) 
            O(3)-S(1)-C(16)             108.29(13) 
            O(1)-S(1)-C(16)             104.35(12) 
            O(2)-S(1)-C(16)             106.18(11) 
            O(3)-S(1)-Ru(1)             147.96(10) 
            O(1)-S(1)-Ru(1)              53.71(9) 
            O(2)-S(1)-Ru(1)              54.75(7) 
            C(16)-S(1)-Ru(1)            103.75(9) 
            O(5)-S(2)-O(6)              115.83(17) 
            O(5)-S(2)-O(4)              109.68(14) 
            O(6)-S(2)-O(4)              112.51(14) 
            O(5)-S(2)-C(34)             105.44(15) 
            O(6)-S(2)-C(34)             105.76(15) 
            O(4)-S(2)-C(34)             106.93(13) 
            S(1)-O(1)-Ru(1)              94.01(10) 
            S(1)-O(2)-Ru(1)              92.82(9) 
            S(2)-O(4)-Ru(1)             126.57(12) 
            C(2)-C(1)-Ru(1)             175.3(3) 
            C(1)-C(2)-C(3)              176.6(3) 
            C(2)-C(3)-C(9)              121.3(3) 
            C(2)-C(3)-C(15)             117.6(3) 
            C(9)-C(3)-C(15)             121.1(2) 
            C(5)-C(4)-C(9)              120.9(3) 
            C(6)-C(5)-C(4)              119.4(4) 
            C(7)-C(6)-C(5)              120.9(3) 
            C(6)-C(7)-C(8)              119.8(3) 
            C(7)-C(8)-C(9)              120.6(3) 
            C(4)-C(9)-C(8)              118.4(3) 
            C(4)-C(9)-C(3)              120.0(3) 
            C(8)-C(9)-C(3)              121.5(3) 
            C(11)-C(10)-C(15)           119.7(4) 
            C(12)-C(11)-C(10)           120.4(4) 
            C(11)-C(12)-C(13)           120.2(4) 
            C(14)-C(13)-C(12)           120.3(4) 
            C(13)-C(14)-C(15)           120.2(3) 
            C(10)-C(15)-C(14)           119.2(3) 
            C(10)-C(15)-C(3)            120.7(3) 
            C(14)-C(15)-C(3)            119.9(3) 
            C(21)-C(16)-C(17)           121.4(3) 
            C(21)-C(16)-S(1)            119.7(2) 
            C(17)-C(16)-S(1)            118.9(2) 
            C(18)-C(17)-C(16)           119.3(3) 
            C(17)-C(18)-C(19)           120.7(3) 
            C(20)-C(19)-C(18)           120.2(3) 
            C(19)-C(20)-C(21)           120.7(3) 
            C(16)-C(21)-C(20)           117.6(3) 
            C(16)-C(21)-P(1)            123.4(2) 
            C(20)-C(21)-P(1)            118.6(2) 
            C(23)-C(22)-C(27)           120.1(3) 
            C(24)-C(23)-C(22)           120.6(4) 
            C(23)-C(24)-C(25)           120.2(3) 
            C(24)-C(25)-C(26)           120.3(3) 
            C(25)-C(26)-C(27)           119.7(4) 
            C(26)-C(27)-C(22)           118.9(3) 
            C(26)-C(27)-P(1)            125.4(3) 
            C(22)-C(27)-P(1)            115.7(2) 
            C(33)-C(28)-C(29)           118.8(4) 
            C(30)-C(29)-C(28)           119.7(4) 
            C(31)-C(30)-C(29)           120.6(4) 
            C(30)-C(31)-C(32)           121.0(5) 
            C(31)-C(32)-C(33)           119.4(4) 
            C(28)-C(33)-C(32)           120.4(3) 
            C(28)-C(33)-P(1)            119.7(3) 
            C(32)-C(33)-P(1)            119.0(3) 
            C(39)-C(34)-C(35)           119.4(3) 
            C(39)-C(34)-S(2)            127.5(2) 
            C(35)-C(34)-S(2)            113.1(2) 
            C(36)-C(35)-C(34)           121.7(3) 
            C(35)-C(36)-C(37)           119.7(3) 
            C(38)-C(37)-C(36)           119.4(3) 
            C(37)-C(38)-C(39)           122.4(3) 
            C(34)-C(39)-C(38)           117.4(2) 
            C(34)-C(39)-P(2)            125.5(2) 
            C(38)-C(39)-P(2)            117.0(2) 
            C(41)-C(40)-C(45)           119.9(3) 
            C(42)-C(41)-C(40)           120.8(3) 
            C(41)-C(42)-C(43)           119.8(3) 
            C(42)-C(43)-C(44)           120.3(3) 
            C(45)-C(44)-C(43)           119.8(3) 
            C(44)-C(45)-C(40)           119.2(3) 
            C(44)-C(45)-P(2)            122.3(2) 
            C(40)-C(45)-P(2)            118.6(2) 
            C(51)-C(46)-C(47)           120.0(3) 
            C(48)-C(47)-C(46)           120.2(3) 
            C(49)-C(48)-C(47)           120.3(3) 
            C(48)-C(49)-C(50)           120.1(3) 
            C(51)-C(50)-C(49)           120.4(3) 
            C(46)-C(51)-C(50)           119.1(2) 
            C(46)-C(51)-P(2)            123.0(2) 
            C(50)-C(51)-P(2)            117.9(2) 
           _____________________________________________________________ 
  
           Symmetry transformations used to generate equivalent atoms: 
            
  
    Table 4.  Anisotropic displacement parameters (A^2 x 10^3) for clav002. 
    The anisotropic displacement factor exponent takes the form: 
    -2 pi^2 [ h^2 a*^2 U11 + ... + 2 h k a* b* U12 ] 
  
    _______________________________________________________________________ 
  
              U11        U22        U33        U23        U13        U12 
    _______________________________________________________________________ 
  
    Ru(1)    17(1)      24(1)      17(1)      12(1)       6(1)       5(1) 
    P(1)     24(1)      24(1)      20(1)      12(1)       9(1)       4(1) 
    P(2)     18(1)      25(1)      20(1)      12(1)       7(1)       6(1) 
    S(1)     25(1)      30(1)      21(1)      11(1)      11(1)       7(1) 
    S(2)     25(1)      33(1)      29(1)       9(1)      12(1)      -2(1) 
    O(1)     21(1)      34(1)      28(1)      12(1)       9(1)       9(1) 
    O(2)     28(1)      29(1)      21(1)      14(1)       8(1)       8(1) 
    O(3)     55(1)      45(1)      29(1)      16(1)      25(1)       7(1) 
    O(4)     29(1)      31(1)      24(1)      10(1)      12(1)      -2(1) 
    O(5)     64(2)      48(2)      47(1)      12(1)      32(1)     -16(1) 
    O(6)     29(1)      50(1)      53(2)      11(1)       6(1)      13(1) 
    C(1)     24(1)      30(1)      25(1)      15(1)      10(1)       8(1) 
    C(2)     28(1)      50(2)      34(2)      26(1)      10(1)      12(1) 
    C(3)     24(1)      45(2)      32(1)      27(1)       5(1)       5(1) 
    C(4)     39(2)      51(2)      44(2)      28(2)       7(2)      10(2) 
    C(5)     62(2)      48(2)      58(2)      26(2)      19(2)      21(2) 
    C(6)     54(2)      65(3)      92(3)      60(3)      34(2)      35(2) 
    C(7)     38(2)      79(3)      59(2)      51(2)      12(2)      21(2) 
    C(8)     33(2)      62(2)      42(2)      36(2)      10(1)      14(2) 
    C(9)     26(1)      44(2)      36(2)      28(1)       8(1)       6(1) 
    C(10)    42(2)      65(2)      37(2)      34(2)      14(1)      19(2) 
    C(11)    57(2)      92(3)      38(2)      39(2)      22(2)      28(2) 
    C(12)    58(2)      83(3)      36(2)      21(2)      13(2)      30(2) 
    C(13)    53(2)      51(2)      45(2)      17(2)       1(2)      17(2) 
    C(14)    34(2)      51(2)      36(2)      26(2)       2(1)       6(1) 
    C(15)    27(1)      51(2)      29(1)      25(1)       5(1)      11(1) 
    C(16)    24(1)      26(1)      23(1)       9(1)       8(1)      11(1) 
    C(17)    36(2)      35(2)      25(1)      10(1)      15(1)      13(1) 
    C(18)    42(2)      33(2)      31(2)       1(1)      16(1)       6(1) 
    C(19)    42(2)      27(2)      50(2)       7(2)      17(2)       1(1) 
    C(20)    41(2)      32(2)      36(2)      13(1)      20(1)       6(1) 
    C(21)    24(1)      24(1)      28(1)      11(1)       8(1)       6(1) 
    C(22)    24(1)      37(2)      21(1)       8(1)       4(1)       4(1) 
    C(23)    28(2)      52(2)      33(2)      11(1)       4(1)      12(1) 
    C(24)    25(2)      76(3)      45(2)      11(2)      11(2)      12(2) 
    C(25)    31(2)      73(3)      50(2)      13(2)      24(2)     -11(2) 
    C(26)    41(2)      44(2)      39(2)      16(2)      18(1)      -5(1) 
    C(27)    21(1)      31(1)      24(1)       6(1)      10(1)       1(1) 
    C(28)    48(2)      41(2)      58(2)      33(2)       5(2)       5(2) 
    C(29)    55(2)      52(2)      95(4)      53(3)      -5(2)       1(2) 
    C(30)    88(3)      78(3)      71(3)      63(3)     -11(3)     -14(3) 
    C(31)    93(3)      75(3)      46(2)      45(2)       6(2)     -10(3) 
    C(32)    65(2)      48(2)      34(2)      25(2)      11(2)      -3(2) 
    C(33)    39(2)      34(2)      33(2)      23(1)       2(1)      -3(1) 
    C(34)    27(1)      25(2)      25(1)      12(1)       7(1)       4(1) 
    C(35)    31(2)      34(2)      39(2)      14(1)      10(1)      -1(1) 
    C(36)    45(2)      27(2)      35(2)       4(1)       9(2)      -4(1) 
    C(37)    44(2)      32(2)      29(2)       8(1)      10(1)      11(1) 
    C(38)    29(1)      29(1)      32(1)      11(1)      12(1)      10(1) 
    C(39)    25(1)      25(1)      24(1)      13(1)       6(1)       6(1) 
    C(40)    38(2)      29(1)      31(1)      17(1)      12(1)      10(1) 
    C(41)    53(2)      49(2)      38(2)      31(2)       9(2)      11(2) 
    C(42)    34(2)      65(2)      74(3)      55(2)      11(2)      18(2) 
    C(43)    43(2)      64(2)      88(3)      55(2)      35(2)      32(2) 
    C(44)    38(2)      42(2)      46(2)      27(2)      21(1)      20(1) 
    C(45)    21(1)      25(1)      27(1)      15(1)       5(1)       5(1) 
    C(46)    26(1)      28(1)      27(1)      10(1)      12(1)       6(1) 
    C(47)    34(2)      39(2)      43(2)      16(1)      25(1)       6(1) 
    C(48)    60(2)      53(2)      49(2)      30(2)      39(2)      15(2) 
    C(49)    53(2)      68(2)      37(2)      35(2)      21(2)      18(2) 
    C(50)    35(2)      48(2)      34(2)      27(1)      16(1)      15(1) 
    C(51)    29(1)      27(1)      24(1)      13(1)      15(1)       9(1) 
    _______________________________________________________________________ 
  
         Table 5.  Hydrogen coordinates ( x 10^4) and isotropic 
         displacement parameters (A^2 x 10^3) for clav002. 
  
         ________________________________________________________________ 
  
                         x             y             z           U(eq) 
         ________________________________________________________________ 
  
          H(4)         3278          6140           125          55 
          H(5)         4727          4667           -93          69 
          H(6)         6498          5026          1943          71 
          H(7)         6844          6846          4173          64 
          H(8)         5393          8320          4404          52 
          H(10)        2852          8027          4406          53 
          H(11)        2735          9665          6534          71 
          H(12)        3101         11998          7201          76 
          H(13)        3644         12733          5781          70 
          H(14)        3712         11122          3634          51 
          H(17)       -1394          4129         -6951          40 
          H(18)       -3019          2087         -7725          51 
          H(19)       -3729          1788         -6129          56 
          H(20)       -2921          3594         -3764          45 
          H(22)       -2690          7900         -3125          39 
          H(23)       -4865          8367         -3414          54 
          H(24)       -6409          7469         -2764          70 
          H(25)       -5897          5930         -1987          73 
          H(26)       -3719          5457         -1656          54 
          H(28)         186          4357         -2085          61 
          H(29)        1089          3681          -405          86 
          H(30)         707          4672          1698         100 
          H(31)        -578          6245          2127          89 
          H(32)       -1508          6912           494          61 
          H(35)        4602         13481          2394          46 
          H(36)        4227         15007          4372          53 
          H(37)        2050         14524          4505          48 
          H(38)         314         12482          2685          38 
          H(40)        -564         10212         -2503          39 
          H(41)       -2031         11043         -3735          55 
          H(42)       -3678         12034         -2962          62 
          H(43)       -3687         12467          -788          65 
          H(44)       -2165         11721           525          46 
          H(46)       -3010          9384          -146          34 
          H(47)       -3967          8922          1247          47 
          H(48)       -2501          9043          3292          57 
          H(49)         -81          9651          3986          58 
          H(50)         896         10108          2606          43 
         ________________________________________________________________ 
  
         Table 6.  Torsion angles [deg] for clav002. 
         ________________________________________________________________ 
  
          C(1)-Ru(1)-P(1)-C(33)                                -6.20(15) 
          O(4)-Ru(1)-P(1)-C(33)                               150.6(3) 
          O(1)-Ru(1)-P(1)-C(33)                                93.89(14) 
          P(2)-Ru(1)-P(1)-C(33)                               -93.13(13) 
          O(2)-Ru(1)-P(1)-C(33)                               157.82(14) 
          S(1)-Ru(1)-P(1)-C(33)                               125.58(13) 
          C(1)-Ru(1)-P(1)-C(27)                               123.01(13) 
          O(4)-Ru(1)-P(1)-C(27)                               -80.1(3) 
          O(1)-Ru(1)-P(1)-C(27)                              -136.90(11) 
          P(2)-Ru(1)-P(1)-C(27)                                36.09(10) 
          O(2)-Ru(1)-P(1)-C(27)                               -72.97(11) 
          S(1)-Ru(1)-P(1)-C(27)                              -105.20(10) 
          C(1)-Ru(1)-P(1)-C(21)                              -125.29(14) 
          O(4)-Ru(1)-P(1)-C(21)                                31.6(3) 
          O(1)-Ru(1)-P(1)-C(21)                               -25.20(12) 
          P(2)-Ru(1)-P(1)-C(21)                               147.78(11) 
          O(2)-Ru(1)-P(1)-C(21)                                38.72(11) 
          S(1)-Ru(1)-P(1)-C(21)                                 6.49(11) 
          C(1)-Ru(1)-P(2)-C(45)                               174.86(12) 
          O(4)-Ru(1)-P(2)-C(45)                                75.61(11) 
          O(1)-Ru(1)-P(2)-C(45)                                42.2(4) 
          O(2)-Ru(1)-P(2)-C(45)                                -4.59(11) 
          P(1)-Ru(1)-P(2)-C(45)                               -93.45(9) 
          S(1)-Ru(1)-P(2)-C(45)                                -6.80(11) 
          C(1)-Ru(1)-P(2)-C(51)                               -58.85(13) 
          O(4)-Ru(1)-P(2)-C(51)                              -158.09(11) 
          O(1)-Ru(1)-P(2)-C(51)                               168.5(3) 
          O(2)-Ru(1)-P(2)-C(51)                               121.71(11) 
          P(1)-Ru(1)-P(2)-C(51)                                32.85(10) 
          S(1)-Ru(1)-P(2)-C(51)                               119.49(10) 
          C(1)-Ru(1)-P(2)-C(39)                                59.87(12) 
          O(4)-Ru(1)-P(2)-C(39)                               -39.38(11) 
          O(1)-Ru(1)-P(2)-C(39)                               -72.8(4) 
          O(2)-Ru(1)-P(2)-C(39)                              -119.58(10) 
          P(1)-Ru(1)-P(2)-C(39)                               151.56(9) 
          S(1)-Ru(1)-P(2)-C(39)                              -121.80(9) 
          C(1)-Ru(1)-S(1)-O(3)                                -97.3(2) 
          O(4)-Ru(1)-S(1)-O(3)                                  3.6(2) 
          O(1)-Ru(1)-S(1)-O(3)                                -80.8(2) 
          P(2)-Ru(1)-S(1)-O(3)                                 84.9(2) 
          O(2)-Ru(1)-S(1)-O(3)                                 81.0(2) 
          P(1)-Ru(1)-S(1)-O(3)                                178.4(2) 
          C(1)-Ru(1)-S(1)-O(1)                                -16.47(15) 
          O(4)-Ru(1)-S(1)-O(1)                                 84.39(12) 
          P(2)-Ru(1)-S(1)-O(1)                                165.75(11) 
          O(2)-Ru(1)-S(1)-O(1)                                161.85(14) 
          P(1)-Ru(1)-S(1)-O(1)                               -100.74(11) 
          C(1)-Ru(1)-S(1)-O(2)                               -178.32(15) 
          O(4)-Ru(1)-S(1)-O(2)                                -77.47(11) 
          O(1)-Ru(1)-S(1)-O(2)                               -161.85(14) 
          P(2)-Ru(1)-S(1)-O(2)                                  3.89(10) 
          P(1)-Ru(1)-S(1)-O(2)                                 97.40(9) 
          C(1)-Ru(1)-S(1)-C(16)                                81.40(14) 
          O(4)-Ru(1)-S(1)-C(16)                              -177.74(11) 
          O(1)-Ru(1)-S(1)-C(16)                                97.87(14) 
          P(2)-Ru(1)-S(1)-C(16)                               -96.38(9) 
          O(2)-Ru(1)-S(1)-C(16)                              -100.27(13) 
          P(1)-Ru(1)-S(1)-C(16)                                -2.87(9) 
          O(3)-S(1)-O(1)-Ru(1)                                144.46(12) 
          O(2)-S(1)-O(1)-Ru(1)                                 15.38(12) 
          C(16)-S(1)-O(1)-Ru(1)                               -96.69(11) 
          C(1)-Ru(1)-O(1)-S(1)                                167.54(12) 
          O(4)-Ru(1)-O(1)-S(1)                                -94.08(11) 
          P(2)-Ru(1)-O(1)-S(1)                                -60.6(4) 
          O(2)-Ru(1)-O(1)-S(1)                                -10.73(8) 
          P(1)-Ru(1)-O(1)-S(1)                                 75.73(9) 
          O(3)-S(1)-O(2)-Ru(1)                               -144.70(12) 
          O(1)-S(1)-O(2)-Ru(1)                                -15.18(12) 
          C(16)-S(1)-O(2)-Ru(1)                                95.62(11) 
          C(1)-Ru(1)-O(2)-S(1)                                  4.5(4) 
          O(4)-Ru(1)-O(2)-S(1)                                 99.96(10) 
          O(1)-Ru(1)-O(2)-S(1)                                 10.68(8) 
          P(2)-Ru(1)-O(2)-S(1)                               -177.45(7) 
          P(1)-Ru(1)-O(2)-S(1)                                -78.51(8) 
          O(5)-S(2)-O(4)-Ru(1)                               -175.62(16) 
          O(6)-S(2)-O(4)-Ru(1)                                 53.9(2) 
          C(34)-S(2)-O(4)-Ru(1)                               -61.77(19) 
          C(1)-Ru(1)-O(4)-S(2)                                -14.94(18) 
          O(1)-Ru(1)-O(4)-S(2)                               -114.62(16) 
          P(2)-Ru(1)-O(4)-S(2)                                 70.91(15) 
          O(2)-Ru(1)-O(4)-S(2)                               -178.72(17) 
          P(1)-Ru(1)-O(4)-S(2)                               -171.50(17) 
          S(1)-Ru(1)-O(4)-S(2)                               -146.83(15) 
          O(4)-Ru(1)-C(1)-C(2)                                -86(3) 
          O(1)-Ru(1)-C(1)-C(2)                                  2(3) 
          P(2)-Ru(1)-C(1)-C(2)                               -171(3) 
          O(2)-Ru(1)-C(1)-C(2)                                  7(3) 
          P(1)-Ru(1)-C(1)-C(2)                                 89(3) 
          S(1)-Ru(1)-C(1)-C(2)                                 10(3) 
          Ru(1)-C(1)-C(2)-C(3)                               -179(100) 
          C(1)-C(2)-C(3)-C(9)                                 170(6) 
          C(1)-C(2)-C(3)-C(15)                                -11(6) 
          C(9)-C(4)-C(5)-C(6)                                   0.3(6) 
          C(4)-C(5)-C(6)-C(7)                                  -0.3(6) 
          C(5)-C(6)-C(7)-C(8)                                   0.4(6) 
          C(6)-C(7)-C(8)-C(9)                                  -0.6(5) 
          C(5)-C(4)-C(9)-C(8)                                  -0.4(5) 
          C(5)-C(4)-C(9)-C(3)                                 176.7(3) 
          C(7)-C(8)-C(9)-C(4)                                   0.6(5) 
          C(7)-C(8)-C(9)-C(3)                                -176.5(3) 
          C(2)-C(3)-C(9)-C(4)                                 -10.8(4) 
          C(15)-C(3)-C(9)-C(4)                                169.8(3) 
          C(2)-C(3)-C(9)-C(8)                                 166.2(3) 
          C(15)-C(3)-C(9)-C(8)                                -13.2(4) 
          C(15)-C(10)-C(11)-C(12)                               0.2(5) 
          C(10)-C(11)-C(12)-C(13)                              -0.6(6) 
          C(11)-C(12)-C(13)-C(14)                               1.5(6) 
          C(12)-C(13)-C(14)-C(15)                              -1.9(5) 
          C(11)-C(10)-C(15)-C(14)                              -0.6(5) 
          C(11)-C(10)-C(15)-C(3)                             -176.1(3) 
          C(13)-C(14)-C(15)-C(10)                               1.5(4) 
          C(13)-C(14)-C(15)-C(3)                              177.0(3) 
          C(2)-C(3)-C(15)-C(10)                               125.1(3) 
          C(9)-C(3)-C(15)-C(10)                               -55.5(4) 
          C(2)-C(3)-C(15)-C(14)                               -50.4(4) 
          C(9)-C(3)-C(15)-C(14)                               129.0(3) 
          O(3)-S(1)-C(16)-C(21)                               176.5(2) 
          O(1)-S(1)-C(16)-C(21)                                52.7(2) 
          O(2)-S(1)-C(16)-C(21)                               -59.6(2) 
          Ru(1)-S(1)-C(16)-C(21)                               -2.8(2) 
          O(3)-S(1)-C(16)-C(17)                                -3.3(3) 
          O(1)-S(1)-C(16)-C(17)                              -127.1(2) 
          O(2)-S(1)-C(16)-C(17)                               120.6(2) 
          Ru(1)-S(1)-C(16)-C(17)                              177.39(19) 
          C(21)-C(16)-C(17)-C(18)                              -1.3(4) 
          S(1)-C(16)-C(17)-C(18)                              178.5(2) 
          C(16)-C(17)-C(18)-C(19)                              -0.9(5) 
          C(17)-C(18)-C(19)-C(20)                               2.1(5) 
          C(18)-C(19)-C(20)-C(21)                              -1.2(5) 
          C(17)-C(16)-C(21)-C(20)                               2.2(4) 
          S(1)-C(16)-C(21)-C(20)                             -177.7(2) 
          C(17)-C(16)-C(21)-P(1)                             -170.7(2) 
          S(1)-C(16)-C(21)-P(1)                                 9.4(3) 
          C(19)-C(20)-C(21)-C(16)                              -0.9(5) 
          C(19)-C(20)-C(21)-P(1)                              172.4(3) 
          C(33)-P(1)-C(21)-C(16)                             -136.6(2) 
          C(27)-P(1)-C(21)-C(16)                              111.0(3) 
          Ru(1)-P(1)-C(21)-C(16)                              -11.7(3) 
          C(33)-P(1)-C(21)-C(20)                               50.6(3) 
          C(27)-P(1)-C(21)-C(20)                              -61.9(3) 
          Ru(1)-P(1)-C(21)-C(20)                              175.4(2) 
          C(27)-C(22)-C(23)-C(24)                              -0.7(5) 
          C(22)-C(23)-C(24)-C(25)                              -2.9(5) 
          C(23)-C(24)-C(25)-C(26)                               3.3(6) 
          C(24)-C(25)-C(26)-C(27)                              -0.1(5) 
          C(25)-C(26)-C(27)-C(22)                              -3.3(5) 
          C(25)-C(26)-C(27)-P(1)                              179.0(2) 
          C(23)-C(22)-C(27)-C(26)                               3.7(4) 
          C(23)-C(22)-C(27)-P(1)                             -178.4(2) 
          C(33)-P(1)-C(27)-C(26)                              -15.4(3) 
          C(21)-P(1)-C(27)-C(26)                               93.3(3) 
          Ru(1)-P(1)-C(27)-C(26)                             -147.2(2) 
          C(33)-P(1)-C(27)-C(22)                              166.8(2) 
          C(21)-P(1)-C(27)-C(22)                              -84.4(2) 
          Ru(1)-P(1)-C(27)-C(22)                               35.1(2) 
          C(33)-C(28)-C(29)-C(30)                              -0.6(6) 
          C(28)-C(29)-C(30)-C(31)                               0.9(7) 
          C(29)-C(30)-C(31)-C(32)                              -0.4(7) 
          C(30)-C(31)-C(32)-C(33)                              -0.3(6) 
          C(29)-C(28)-C(33)-C(32)                               0.0(5) 
          C(29)-C(28)-C(33)-P(1)                              169.6(3) 
          C(31)-C(32)-C(33)-C(28)                               0.5(5) 
          C(31)-C(32)-C(33)-P(1)                             -169.2(3) 
          C(27)-P(1)-C(33)-C(28)                              143.7(3) 
          C(21)-P(1)-C(33)-C(28)                               39.4(3) 
          Ru(1)-P(1)-C(33)-C(28)                              -83.7(3) 
          C(27)-P(1)-C(33)-C(32)                              -46.5(3) 
          C(21)-P(1)-C(33)-C(32)                             -150.8(3) 
          Ru(1)-P(1)-C(33)-C(32)                               86.1(3) 
          O(5)-S(2)-C(34)-C(39)                               133.3(3) 
          O(6)-S(2)-C(34)-C(39)                              -103.5(3) 
          O(4)-S(2)-C(34)-C(39)                                16.6(3) 
          O(5)-S(2)-C(34)-C(35)                               -47.6(3) 
          O(6)-S(2)-C(34)-C(35)                                75.6(3) 
          O(4)-S(2)-C(34)-C(35)                              -164.3(2) 
          C(39)-C(34)-C(35)-C(36)                               0.1(5) 
          S(2)-C(34)-C(35)-C(36)                             -179.1(3) 
          C(34)-C(35)-C(36)-C(37)                              -1.3(5) 
          C(35)-C(36)-C(37)-C(38)                               1.2(5) 
          C(36)-C(37)-C(38)-C(39)                               0.3(5) 
          C(35)-C(34)-C(39)-C(38)                               1.4(4) 
          S(2)-C(34)-C(39)-C(38)                             -179.6(2) 
          C(35)-C(34)-C(39)-P(2)                              178.0(2) 
          S(2)-C(34)-C(39)-P(2)                                -3.0(4) 
          C(37)-C(38)-C(39)-C(34)                              -1.6(4) 
          C(37)-C(38)-C(39)-P(2)                             -178.5(2) 
          C(45)-P(2)-C(39)-C(34)                              -99.8(3) 
          C(51)-P(2)-C(39)-C(34)                              149.6(2) 
          Ru(1)-P(2)-C(39)-C(34)                               22.0(3) 
          C(45)-P(2)-C(39)-C(38)                               76.8(2) 
          C(51)-P(2)-C(39)-C(38)                              -33.7(2) 
          Ru(1)-P(2)-C(39)-C(38)                             -161.27(18) 
          C(45)-C(40)-C(41)-C(42)                              -1.5(5) 
          C(40)-C(41)-C(42)-C(43)                               4.3(6) 
          C(41)-C(42)-C(43)-C(44)                              -3.0(6) 
          C(42)-C(43)-C(44)-C(45)                              -1.1(5) 
          C(43)-C(44)-C(45)-C(40)                               3.8(5) 
          C(43)-C(44)-C(45)-P(2)                             -176.4(3) 
          C(41)-C(40)-C(45)-C(44)                              -2.6(4) 
          C(41)-C(40)-C(45)-P(2)                              177.7(2) 
          C(51)-P(2)-C(45)-C(44)                               25.2(3) 
          C(39)-P(2)-C(45)-C(44)                              -81.7(3) 
          Ru(1)-P(2)-C(45)-C(44)                              157.2(2) 
          C(51)-P(2)-C(45)-C(40)                             -155.0(2) 
          C(39)-P(2)-C(45)-C(40)                               98.0(2) 
          Ru(1)-P(2)-C(45)-C(40)                              -23.1(2) 
          C(51)-C(46)-C(47)-C(48)                              -0.3(4) 
          C(46)-C(47)-C(48)-C(49)                               0.4(5) 
          C(47)-C(48)-C(49)-C(50)                              -0.5(6) 
          C(48)-C(49)-C(50)-C(51)                               0.5(5) 
          C(47)-C(46)-C(51)-C(50)                               0.3(4) 
          C(47)-C(46)-C(51)-P(2)                              177.5(2) 
          C(49)-C(50)-C(51)-C(46)                              -0.4(4) 
          C(49)-C(50)-C(51)-P(2)                             -177.8(3) 
          C(45)-P(2)-C(51)-C(46)                               31.1(3) 
          C(39)-P(2)-C(51)-C(46)                              137.7(2) 
          Ru(1)-P(2)-C(51)-C(46)                              -98.4(2) 
          C(45)-P(2)-C(51)-C(50)                             -151.7(2) 
          C(39)-P(2)-C(51)-C(50)                              -45.0(2) 
          Ru(1)-P(2)-C(51)-C(50)                               78.9(2) 
         ________________________________________________________________ 
  
         Symmetry transformations used to generate equivalent atoms: 
          
  
