data_rudi003
_audit_creation_date               2026-04-08
_audit_creation_method
;
Olex2 1.5
(compiled 2026.04.07 svn.r39635298 for OlexSys, GUI svn.r7533)
;
_shelx_SHELXL_version_number       '2019/3'
_audit_contact_author_address      ?
_audit_contact_author_email        ?
_audit_contact_author_name         ''
_audit_contact_author_phone        ?
_publ_contact_author_id_orcid      ?
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Sheldrick, G.M. (2015). Acta Cryst. A71, 3-8.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common              ?
_chemical_name_systematic          ?
_chemical_formula_moiety           'C35 H49 In N, C H B11 Cl11'
_chemical_formula_sum              'C36 H50 B11 Cl11 In N'
_chemical_formula_weight           1120.45
_chemical_melting_point            ?
loop_
  _atom_type_symbol
  _atom_type_description
  _atom_type_scat_dispersion_real
  _atom_type_scat_dispersion_imag
  _atom_type_scat_source
 'C' 'C' 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'B' 'B' 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'N' 'N' 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Cl' 'Cl' 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'In' 'In' 0.0822 5.0449 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system        'triclinic'
_space_group_IT_number             2
_space_group_name_H-M_alt          'P -1'
_space_group_name_Hall             '-P 1'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x, -y, -z'

_cell_length_a                     12.1607(5)
_cell_length_b                     12.7895(5)
_cell_length_c                     17.5910(8)
_cell_angle_alpha                  94.759(2)
_cell_angle_beta                   92.161(2)
_cell_angle_gamma                  112.200(2)
_cell_volume                       2517.29(19)
_cell_formula_units_Z              2
_cell_measurement_reflns_used      9608
_cell_measurement_temperature      100.00
_cell_measurement_theta_max        74.409
_cell_measurement_theta_min        2.527
_shelx_estimated_absorpt_T_max     0.363
_shelx_estimated_absorpt_T_min     0.225
_exptl_absorpt_coefficient_mu      9.339
_exptl_absorpt_correction_T_max    0.7538
_exptl_absorpt_correction_T_min    0.4698
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1317 before and 0.0719 after correction.
The Ratio of minimum to maximum transmission is 0.6232.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              colourless
_exptl_crystal_colour_primary      colourless
_exptl_crystal_density_diffrn      1.478
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         block
_exptl_crystal_F_000               1128
_exptl_crystal_size_max            0.228
_exptl_crystal_size_mid            0.202
_exptl_crystal_size_min            0.136
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0495
_diffrn_reflns_av_unetI/netI       0.0280
_diffrn_reflns_Laue_measured_fraction_full  0.996
_diffrn_reflns_Laue_measured_fraction_max  0.982
_diffrn_reflns_limit_h_max         13
_diffrn_reflns_limit_h_min         -15
_diffrn_reflns_limit_k_max         15
_diffrn_reflns_limit_k_min         -15
_diffrn_reflns_limit_l_max         21
_diffrn_reflns_limit_l_min         -21
_diffrn_reflns_number              82169
_diffrn_reflns_point_group_measured_fraction_full  0.996
_diffrn_reflns_point_group_measured_fraction_max  0.982
_diffrn_reflns_theta_full          67.679
_diffrn_reflns_theta_max           74.677
_diffrn_reflns_theta_min           2.527
_diffrn_ambient_temperature        100.00
_diffrn_detector_area_resol_mean   ?
_diffrn_measured_fraction_theta_full  0.996
_diffrn_measured_fraction_theta_max  0.982
_diffrn_measurement_device_type    'Bruker Venture Photon III'
_diffrn_measurement_method         ?
_diffrn_radiation_type             CuK\a
_diffrn_radiation_wavelength       1.54178
_diffrn_source                     ?
_diffrn_source_current             1.2
_diffrn_source_power               0.06
_diffrn_source_voltage             50.0
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  9270
_reflns_number_total               10127
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression       'I > 2σ(I)'
_computing_cell_refinement         'SAINT V8.42 (?, 2016)'
_computing_data_collection         ?
_computing_data_reduction          'SAINT V8.42 (?, 2016)'
_computing_molecular_graphics      'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement    'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution      'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max           1.579
_refine_diff_density_min           -1.595
_refine_diff_density_rms           0.104
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.037
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       553
_refine_ls_number_reflns           10127
_refine_ls_number_restraints       0
_refine_ls_R_factor_all            0.0464
_refine_ls_R_factor_gt             0.0413
_refine_ls_restrained_S_all        1.037
_refine_ls_shift/su_max            0.001
_refine_ls_shift/su_mean           0.000
_refine_ls_structure_factor_coef   Fsqd
_refine_ls_weighting_details      
 'w=1/[σ²(Fo²)+(0.0545P)²+7.0482P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.1072
_refine_ls_wR_factor_ref           0.1100
_refine_special_details            ?
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C7(H7), C10(H10), C13(H13), C27(H27), C30(H30), C33(H33)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C4(H4), C17(H17), C18(H18), C19(H19), C22(H22), C24(H24)
2.c Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C11(H11A,H11B,H11C), C12(H12A,H12B,H12C),
 C14(H14A,H14B,H14C), C15(H15A,H15B,H15C), C28(H28A,H28B,H28C), C29(H29A,H29B,
 H29C), C31(H31A,H31B,H31C), C32(H32A,H32B,H32C), C34(H34A,H34B,H34C), C35(H35A,
 H35B,H35C)
2.d Boron cage BH refined with riding coordinates:
 C36(H36)
;
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary       dual
_atom_sites_solution_secondary     ?
loop_
  _atom_site_label
  _atom_site_type_symbol
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_U_iso_or_equiv
  _atom_site_adp_type
  _atom_site_occupancy
  _atom_site_site_symmetry_order
  _atom_site_calc_flag
  _atom_site_refinement_flags_posn
  _atom_site_refinement_flags_adp
  _atom_site_refinement_flags_occupancy
  _atom_site_disorder_assembly
  _atom_site_disorder_group
 In1 In 0.36936(2) 0.62247(2) 0.66340(2) 0.02305(8) Uani 1 1 d . . . . .
 N1 N 0.4326(2) 0.8298(2) 0.72842(14) 0.0114(5) Uani 1 1 d . . . . .
 C1 C 0.5199(3) 0.7513(3) 0.88151(17) 0.0132(6) Uani 1 1 d . . . . .
 C2 C 0.4922(3) 0.6829(3) 0.94152(17) 0.0143(6) Uani 1 1 d . . . . .
 H2 H 0.539817 0.640931 0.952313 0.017 Uiso 1 1 calc R U . . .
 C3 C 0.3976(3) 0.6740(3) 0.98604(16) 0.0131(6) Uani 1 1 d . . . . .
 C4 C 0.3291(3) 0.7359(3) 0.96931(17) 0.0158(6) Uani 1 1 d . . . . .
 H4 H 0.265091 0.731794 0.999816 0.019 Uiso 1 1 calc R U . . .
 C5 C 0.3512(3) 0.8038(3) 0.90924(17) 0.0152(6) Uani 1 1 d . . . . .
 C6 C 0.4469(3) 0.8105(3) 0.86470(16) 0.0120(6) Uani 1 1 d . . . . .
 C7 C 0.6293(3) 0.7621(3) 0.83892(18) 0.0184(7) Uani 1 1 d . . . . .
 H7 H 0.634502 0.812885 0.797760 0.022 Uiso 1 1 calc R U . . .
 C8 C 0.7427(3) 0.8166(3) 0.8931(2) 0.0248(7) Uani 1 1 d . . . . .
 H8A H 0.747833 0.890874 0.916209 0.037 Uiso 1 1 calc R U . . .
 H8B H 0.812660 0.826377 0.864150 0.037 Uiso 1 1 calc R U . . .
 H8C H 0.740089 0.767446 0.933387 0.037 Uiso 1 1 calc R U . . .
 C9 C 0.6235(4) 0.6480(4) 0.8015(2) 0.0310(9) Uani 1 1 d . . . . .
 H9A H 0.629553 0.600631 0.841211 0.047 Uiso 1 1 calc R U . . .
 H9B H 0.689479 0.660306 0.768510 0.047 Uiso 1 1 calc R U . . .
 H9C H 0.547642 0.609668 0.770714 0.047 Uiso 1 1 calc R U . . .
 C10 C 0.3700(3) 0.5991(3) 1.05063(18) 0.0168(6) Uani 1 1 d . . . . .
 H10 H 0.426562 0.559146 1.050770 0.020 Uiso 1 1 calc R U . . .
 C11 C 0.3887(3) 0.6695(3) 1.12793(18) 0.0214(7) Uani 1 1 d . . . . .
 H11A H 0.467549 0.731299 1.132421 0.032 Uiso 1 1 calc R U . . .
 H11B H 0.383423 0.621050 1.169075 0.032 Uiso 1 1 calc R U . . .
 H11C H 0.327309 0.701524 1.131912 0.032 Uiso 1 1 calc R U . . .
 C12 C 0.2430(3) 0.5084(3) 1.0397(2) 0.0253(8) Uani 1 1 d . . . . .
 H12A H 0.185647 0.545417 1.040655 0.038 Uiso 1 1 calc R U . . .
 H12B H 0.229890 0.459146 1.081028 0.038 Uiso 1 1 calc R U . . .
 H12C H 0.232489 0.462796 0.990378 0.038 Uiso 1 1 calc R U . . .
 C13 C 0.2727(3) 0.8700(3) 0.89427(19) 0.0207(7) Uani 1 1 d . . . . .
 H13 H 0.285304 0.894102 0.841592 0.025 Uiso 1 1 calc R U . . .
 C14 C 0.3116(4) 0.9782(3) 0.9508(2) 0.0280(8) Uani 1 1 d . . . . .
 H14A H 0.298160 0.957065 1.003007 0.042 Uiso 1 1 calc R U . . .
 H14B H 0.264913 1.023107 0.938165 0.042 Uiso 1 1 calc R U . . .
 H14C H 0.396365 1.023170 0.947377 0.042 Uiso 1 1 calc R U . . .
 C15 C 0.1397(3) 0.7998(4) 0.8975(2) 0.0280(8) Uani 1 1 d . . . . .
 H15A H 0.118123 0.727062 0.865955 0.042 Uiso 1 1 calc R U . . .
 H15B H 0.093400 0.841441 0.878035 0.042 Uiso 1 1 calc R U . . .
 H15C H 0.122401 0.785893 0.950529 0.042 Uiso 1 1 calc R U . . .
 C16 C 0.4698(3) 0.8832(3) 0.80012(17) 0.0132(6) Uani 1 1 d . . . . .
 C17 C 0.5223(3) 1.0006(3) 0.81187(18) 0.0163(6) Uani 1 1 d . . . . .
 H17 H 0.548832 1.037450 0.862126 0.020 Uiso 1 1 calc R U . . .
 C18 C 0.5361(3) 1.0644(3) 0.75009(19) 0.0176(6) Uani 1 1 d . . . . .
 H18 H 0.572991 1.144843 0.757718 0.021 Uiso 1 1 calc R U . . .
 C19 C 0.4956(3) 1.0096(3) 0.67756(17) 0.0148(6) Uani 1 1 d . . . . .
 H19 H 0.502721 1.051688 0.634712 0.018 Uiso 1 1 calc R U . . .
 C20 C 0.4444(3) 0.8921(3) 0.66848(17) 0.0118(6) Uani 1 1 d . . . . .
 C21 C 0.2725(3) 0.7714(2) 0.57607(17) 0.0112(6) Uani 1 1 d . . . . .
 C22 C 0.2296(3) 0.6927(3) 0.51161(17) 0.0131(6) Uani 1 1 d . . . . .
 H22 H 0.145942 0.657035 0.500072 0.016 Uiso 1 1 calc R U . . .
 C23 C 0.3053(3) 0.6640(3) 0.46300(17) 0.0131(6) Uani 1 1 d . . . . .
 C24 C 0.4277(3) 0.7181(3) 0.48079(17) 0.0147(6) Uani 1 1 d . . . . .
 H24 H 0.480174 0.701058 0.447829 0.018 Uiso 1 1 calc R U . . .
 C25 C 0.4762(3) 0.7966(3) 0.54552(17) 0.0126(6) Uani 1 1 d . . . . .
 C26 C 0.3976(3) 0.8222(2) 0.59311(16) 0.0108(6) Uani 1 1 d . . . . .
 C27 C 0.1870(3) 0.8030(3) 0.62514(18) 0.0153(6) Uani 1 1 d . . . . .
 H27 H 0.234166 0.876846 0.656111 0.018 Uiso 1 1 calc R U . . .
 C28 C 0.0895(3) 0.8207(3) 0.5766(2) 0.0197(7) Uani 1 1 d . . . . .
 H28A H 0.125987 0.873296 0.538916 0.030 Uiso 1 1 calc R U . . .
 H28B H 0.044274 0.852382 0.609787 0.030 Uiso 1 1 calc R U . . .
 H28C H 0.035734 0.747657 0.550080 0.030 Uiso 1 1 calc R U . . .
 C29 C 0.1304(3) 0.7158(4) 0.6812(2) 0.0267(8) Uani 1 1 d . . . . .
 H29A H 0.085012 0.641715 0.652593 0.040 Uiso 1 1 calc R U . . .
 H29B H 0.076981 0.740138 0.711777 0.040 Uiso 1 1 calc R U . . .
 H29C H 0.193098 0.709731 0.715083 0.040 Uiso 1 1 calc R U . . .
 C30 C 0.2514(3) 0.5756(3) 0.39532(17) 0.0153(6) Uani 1 1 d . . . . .
 H30 H 0.181935 0.589432 0.372941 0.018 Uiso 1 1 calc R U . . .
 C31 C 0.3332(4) 0.5822(4) 0.3327(2) 0.0371(10) Uani 1 1 d . . . . .
 H31A H 0.368311 0.660531 0.319782 0.056 Uiso 1 1 calc R U . . .
 H31B H 0.288057 0.532252 0.287441 0.056 Uiso 1 1 calc R U . . .
 H31C H 0.396618 0.558019 0.349917 0.056 Uiso 1 1 calc R U . . .
 C32 C 0.2026(5) 0.4579(3) 0.4213(2) 0.0511(14) Uani 1 1 d . . . . .
 H32A H 0.268130 0.440683 0.443623 0.077 Uiso 1 1 calc R U . . .
 H32B H 0.162676 0.402109 0.377342 0.077 Uiso 1 1 calc R U . . .
 H32C H 0.145427 0.454519 0.459716 0.077 Uiso 1 1 calc R U . . .
 C33 C 0.6110(3) 0.8517(3) 0.56188(18) 0.0174(7) Uani 1 1 d . . . . .
 H33 H 0.628019 0.897093 0.613087 0.021 Uiso 1 1 calc R U . . .
 C34 C 0.6671(3) 0.9326(3) 0.5027(2) 0.0250(8) Uani 1 1 d . . . . .
 H34A H 0.650923 0.890080 0.451823 0.038 Uiso 1 1 calc R U . . .
 H34B H 0.753295 0.968828 0.514982 0.038 Uiso 1 1 calc R U . . .
 H34C H 0.633014 0.990906 0.503211 0.038 Uiso 1 1 calc R U . . .
 C35 C 0.6671(3) 0.7629(3) 0.5650(2) 0.0270(8) Uani 1 1 d . . . . .
 H35A H 0.630260 0.711809 0.603467 0.041 Uiso 1 1 calc R U . . .
 H35B H 0.752791 0.801264 0.578766 0.041 Uiso 1 1 calc R U . . .
 H35C H 0.654054 0.718979 0.514829 0.041 Uiso 1 1 calc R U . . .
 Cl1 Cl -0.19017(7) 0.15088(8) 0.85921(5) 0.02642(18) Uani 1 1 d . . . . .
 Cl2 Cl -0.07417(7) 0.42456(7) 0.79139(5) 0.02246(17) Uani 1 1 d . . . . .
 Cl3 Cl 0.23940(7) 0.52169(6) 0.81383(4) 0.02163(17) Uani 1 1 d . . . . .
 Cl4 Cl 0.31625(7) 0.30810(8) 0.89230(5) 0.02644(19) Uani 1 1 d . . . . .
 Cl5 Cl 0.04724(8) 0.08011(7) 0.92092(4) 0.02466(18) Uani 1 1 d . . . . .
 Cl6 Cl -0.11136(8) -0.05098(6) 0.72769(5) 0.02409(18) Uani 1 1 d . . . . .
 Cl7 Cl -0.18997(6) 0.16871(6) 0.64731(4) 0.01827(16) Uani 1 1 d . . . . .
 Cl8 Cl 0.08720(7) 0.40509(6) 0.61777(4) 0.01782(16) Uani 1 1 d . . . . .
 Cl9 Cl 0.33958(7) 0.33183(7) 0.68381(5) 0.02245(17) Uani 1 1 d . . . . .
 Cl10 Cl 0.21799(8) 0.05218(7) 0.75257(5) 0.02534(18) Uani 1 1 d . . . . .
 Cl11 Cl 0.06866(7) 0.11183(6) 0.58346(4) 0.01845(16) Uani 1 1 d . . . . .
 C36 C 0.0673(3) 0.2926(3) 0.84822(17) 0.0145(6) Uani 1 1 d . . . . .
 H36 H 0.067065 0.333345 0.907026 0.017 Uiso 1 1 calc R U . . .
 B1 B -0.0626(3) 0.1902(3) 0.8073(2) 0.0147(7) Uani 1 1 d . . . . .
 B2 B -0.0044(3) 0.3273(3) 0.7739(2) 0.0141(7) Uani 1 1 d . . . . .
 B3 B 0.1546(3) 0.3767(3) 0.7850(2) 0.0145(7) Uani 1 1 d . . . . .
 B4 B 0.1923(3) 0.2687(3) 0.8254(2) 0.0155(7) Uani 1 1 d . . . . .
 B5 B 0.0577(3) 0.1536(3) 0.8393(2) 0.0162(7) Uani 1 1 d . . . . .
 B6 B -0.0200(3) 0.0951(3) 0.7474(2) 0.0147(7) Uani 1 1 d . . . . .
 B7 B -0.0578(3) 0.2028(3) 0.7074(2) 0.0127(7) Uani 1 1 d . . . . .
 B8 B 0.0778(3) 0.3189(3) 0.6937(2) 0.0129(7) Uani 1 1 d . . . . .
 B9 B 0.1998(3) 0.2826(3) 0.7252(2) 0.0137(7) Uani 1 1 d . . . . .
 B10 B 0.1399(3) 0.1446(3) 0.7592(2) 0.0152(7) Uani 1 1 d . . . . .
 B11 B 0.0684(3) 0.1747(3) 0.6769(2) 0.0123(6) Uani 1 1 d . . . . .


_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
  _geom_bond_atom_site_label_1
  _geom_bond_atom_site_label_2
  _geom_bond_distance
  _geom_bond_site_symmetry_2
  _geom_bond_publ_flag
 In1 N1 2.611(3) . ?
 N1 C16 1.357(4) . ?
 N1 C20 1.354(4) . ?
 C1 C2 1.397(4) . ?
 C1 C6 1.404(4) . ?
 C1 C7 1.518(4) . ?
 C2 H2 0.9500 . ?
 C2 C3 1.391(4) . ?
 C3 C4 1.388(4) . ?
 C3 C10 1.512(4) . ?
 C4 H4 0.9500 . ?
 C4 C5 1.393(4) . ?
 C5 C6 1.407(4) . ?
 C5 C13 1.525(4) . ?
 C6 C16 1.496(4) . ?
 C7 H7 1.0000 . ?
 C7 C8 1.536(5) . ?
 C7 C9 1.526(5) . ?
 C8 H8A 0.9800 . ?
 C8 H8B 0.9800 . ?
 C8 H8C 0.9800 . ?
 C9 H9A 0.9800 . ?
 C9 H9B 0.9800 . ?
 C9 H9C 0.9800 . ?
 C10 H10 1.0000 . ?
 C10 C11 1.527(4) . ?
 C10 C12 1.533(5) . ?
 C11 H11A 0.9800 . ?
 C11 H11B 0.9800 . ?
 C11 H11C 0.9800 . ?
 C12 H12A 0.9800 . ?
 C12 H12B 0.9800 . ?
 C12 H12C 0.9800 . ?
 C13 H13 1.0000 . ?
 C13 C14 1.540(5) . ?
 C13 C15 1.531(5) . ?
 C14 H14A 0.9800 . ?
 C14 H14B 0.9800 . ?
 C14 H14C 0.9800 . ?
 C15 H15A 0.9800 . ?
 C15 H15B 0.9800 . ?
 C15 H15C 0.9800 . ?
 C16 C17 1.385(4) . ?
 C17 H17 0.9500 . ?
 C17 C18 1.390(5) . ?
 C18 H18 0.9500 . ?
 C18 C19 1.380(4) . ?
 C19 H19 0.9500 . ?
 C19 C20 1.385(4) . ?
 C20 C26 1.498(4) . ?
 C21 C22 1.393(4) . ?
 C21 C26 1.418(4) . ?
 C21 C27 1.523(4) . ?
 C22 H22 0.9500 . ?
 C22 C23 1.405(4) . ?
 C23 C24 1.394(4) . ?
 C23 C30 1.512(4) . ?
 C24 H24 0.9500 . ?
 C24 C25 1.402(4) . ?
 C25 C26 1.405(4) . ?
 C25 C33 1.524(4) . ?
 C27 H27 1.0000 . ?
 C27 C28 1.531(4) . ?
 C27 C29 1.530(5) . ?
 C28 H28A 0.9800 . ?
 C28 H28B 0.9800 . ?
 C28 H28C 0.9800 . ?
 C29 H29A 0.9800 . ?
 C29 H29B 0.9800 . ?
 C29 H29C 0.9800 . ?
 C30 H30 1.0000 . ?
 C30 C31 1.498(5) . ?
 C30 C32 1.512(5) . ?
 C31 H31A 0.9800 . ?
 C31 H31B 0.9800 . ?
 C31 H31C 0.9800 . ?
 C32 H32A 0.9800 . ?
 C32 H32B 0.9800 . ?
 C32 H32C 0.9800 . ?
 C33 H33 1.0000 . ?
 C33 C34 1.523(5) . ?
 C33 C35 1.532(5) . ?
 C34 H34A 0.9800 . ?
 C34 H34B 0.9800 . ?
 C34 H34C 0.9800 . ?
 C35 H35A 0.9800 . ?
 C35 H35B 0.9800 . ?
 C35 H35C 0.9800 . ?
 Cl1 B1 1.757(4) . ?
 Cl2 B2 1.765(4) . ?
 Cl3 B3 1.766(4) . ?
 Cl4 B4 1.762(4) . ?
 Cl5 B5 1.763(4) . ?
 Cl6 B6 1.772(4) . ?
 Cl7 B7 1.777(3) . ?
 Cl8 B8 1.781(4) . ?
 Cl9 B9 1.782(4) . ?
 Cl10 B10 1.774(4) . ?
 Cl11 B11 1.770(3) . ?
 C36 H36 1.1200 . ?
 C36 B1 1.710(5) . ?
 C36 B2 1.724(5) . ?
 C36 B3 1.716(5) . ?
 C36 B4 1.714(5) . ?
 C36 B5 1.730(5) . ?
 B1 B2 1.785(5) . ?
 B1 B5 1.783(5) . ?
 B1 B6 1.778(5) . ?
 B1 B7 1.778(5) . ?
 B2 B3 1.790(5) . ?
 B2 B7 1.782(5) . ?
 B2 B8 1.779(5) . ?
 B3 B4 1.799(5) . ?
 B3 B8 1.781(5) . ?
 B3 B9 1.786(5) . ?
 B4 B5 1.782(5) . ?
 B4 B9 1.788(5) . ?
 B4 B10 1.776(5) . ?
 B5 B6 1.793(5) . ?
 B5 B10 1.778(5) . ?
 B6 B7 1.793(5) . ?
 B6 B10 1.801(5) . ?
 B6 B11 1.792(5) . ?
 B7 B8 1.795(5) . ?
 B7 B11 1.795(5) . ?
 B8 B9 1.796(5) . ?
 B8 B11 1.802(5) . ?
 B9 B10 1.800(5) . ?
 B9 B11 1.793(5) . ?
 B10 B11 1.801(5) . ?

loop_
  _geom_angle_atom_site_label_1
  _geom_angle_atom_site_label_2
  _geom_angle_atom_site_label_3
  _geom_angle
  _geom_angle_site_symmetry_1
  _geom_angle_site_symmetry_3
  _geom_angle_publ_flag
 C16 N1 In1 136.1(2) . . ?
 C20 N1 In1 103.46(18) . . ?
 C20 N1 C16 119.5(3) . . ?
 C2 C1 C6 118.3(3) . . ?
 C2 C1 C7 119.1(3) . . ?
 C6 C1 C7 122.6(3) . . ?
 C1 C2 H2 118.8 . . ?
 C3 C2 C1 122.4(3) . . ?
 C3 C2 H2 118.8 . . ?
 C2 C3 C10 121.1(3) . . ?
 C4 C3 C2 117.9(3) . . ?
 C4 C3 C10 121.0(3) . . ?
 C3 C4 H4 118.9 . . ?
 C3 C4 C5 122.1(3) . . ?
 C5 C4 H4 118.9 . . ?
 C4 C5 C6 118.7(3) . . ?
 C4 C5 C13 119.4(3) . . ?
 C6 C5 C13 121.9(3) . . ?
 C1 C6 C5 120.5(3) . . ?
 C1 C6 C16 121.1(3) . . ?
 C5 C6 C16 118.5(3) . . ?
 C1 C7 H7 108.2 . . ?
 C1 C7 C8 110.6(3) . . ?
 C1 C7 C9 112.4(3) . . ?
 C8 C7 H7 108.2 . . ?
 C9 C7 H7 108.2 . . ?
 C9 C7 C8 109.2(3) . . ?
 C7 C8 H8A 109.5 . . ?
 C7 C8 H8B 109.5 . . ?
 C7 C8 H8C 109.5 . . ?
 H8A C8 H8B 109.5 . . ?
 H8A C8 H8C 109.5 . . ?
 H8B C8 H8C 109.5 . . ?
 C7 C9 H9A 109.5 . . ?
 C7 C9 H9B 109.5 . . ?
 C7 C9 H9C 109.5 . . ?
 H9A C9 H9B 109.5 . . ?
 H9A C9 H9C 109.5 . . ?
 H9B C9 H9C 109.5 . . ?
 C3 C10 H10 107.8 . . ?
 C3 C10 C11 111.1(3) . . ?
 C3 C10 C12 111.8(3) . . ?
 C11 C10 H10 107.8 . . ?
 C11 C10 C12 110.2(3) . . ?
 C12 C10 H10 107.8 . . ?
 C10 C11 H11A 109.5 . . ?
 C10 C11 H11B 109.5 . . ?
 C10 C11 H11C 109.5 . . ?
 H11A C11 H11B 109.5 . . ?
 H11A C11 H11C 109.5 . . ?
 H11B C11 H11C 109.5 . . ?
 C10 C12 H12A 109.5 . . ?
 C10 C12 H12B 109.5 . . ?
 C10 C12 H12C 109.5 . . ?
 H12A C12 H12B 109.5 . . ?
 H12A C12 H12C 109.5 . . ?
 H12B C12 H12C 109.5 . . ?
 C5 C13 H13 107.6 . . ?
 C5 C13 C14 110.1(3) . . ?
 C5 C13 C15 113.3(3) . . ?
 C14 C13 H13 107.6 . . ?
 C15 C13 H13 107.6 . . ?
 C15 C13 C14 110.3(3) . . ?
 C13 C14 H14A 109.5 . . ?
 C13 C14 H14B 109.5 . . ?
 C13 C14 H14C 109.5 . . ?
 H14A C14 H14B 109.5 . . ?
 H14A C14 H14C 109.5 . . ?
 H14B C14 H14C 109.5 . . ?
 C13 C15 H15A 109.5 . . ?
 C13 C15 H15B 109.5 . . ?
 C13 C15 H15C 109.5 . . ?
 H15A C15 H15B 109.5 . . ?
 H15A C15 H15C 109.5 . . ?
 H15B C15 H15C 109.5 . . ?
 N1 C16 C6 117.2(3) . . ?
 N1 C16 C17 120.4(3) . . ?
 C17 C16 C6 122.3(3) . . ?
 C16 C17 H17 120.0 . . ?
 C16 C17 C18 120.0(3) . . ?
 C18 C17 H17 120.0 . . ?
 C17 C18 H18 120.3 . . ?
 C19 C18 C17 119.3(3) . . ?
 C19 C18 H18 120.3 . . ?
 C18 C19 H19 120.7 . . ?
 C18 C19 C20 118.7(3) . . ?
 C20 C19 H19 120.7 . . ?
 N1 C20 C19 122.0(3) . . ?
 N1 C20 C26 113.8(3) . . ?
 C19 C20 C26 124.2(3) . . ?
 C22 C21 C26 117.9(3) . . ?
 C22 C21 C27 120.5(3) . . ?
 C26 C21 C27 121.6(3) . . ?
 C21 C22 H22 118.7 . . ?
 C21 C22 C23 122.5(3) . . ?
 C23 C22 H22 118.7 . . ?
 C22 C23 C30 119.2(3) . . ?
 C24 C23 C22 117.7(3) . . ?
 C24 C23 C30 123.1(3) . . ?
 C23 C24 H24 118.8 . . ?
 C23 C24 C25 122.4(3) . . ?
 C25 C24 H24 118.8 . . ?
 C24 C25 C26 118.1(3) . . ?
 C24 C25 C33 119.6(3) . . ?
 C26 C25 C33 122.2(3) . . ?
 C21 C26 C20 118.5(3) . . ?
 C25 C26 C20 119.7(3) . . ?
 C25 C26 C21 121.3(3) . . ?
 C21 C27 H27 107.4 . . ?
 C21 C27 C28 112.1(3) . . ?
 C21 C27 C29 112.5(3) . . ?
 C28 C27 H27 107.4 . . ?
 C29 C27 H27 107.4 . . ?
 C29 C27 C28 109.8(3) . . ?
 C27 C28 H28A 109.5 . . ?
 C27 C28 H28B 109.5 . . ?
 C27 C28 H28C 109.5 . . ?
 H28A C28 H28B 109.5 . . ?
 H28A C28 H28C 109.5 . . ?
 H28B C28 H28C 109.5 . . ?
 C27 C29 H29A 109.5 . . ?
 C27 C29 H29B 109.5 . . ?
 C27 C29 H29C 109.5 . . ?
 H29A C29 H29B 109.5 . . ?
 H29A C29 H29C 109.5 . . ?
 H29B C29 H29C 109.5 . . ?
 C23 C30 H30 106.8 . . ?
 C23 C30 C32 110.5(3) . . ?
 C31 C30 C23 114.3(3) . . ?
 C31 C30 H30 106.8 . . ?
 C31 C30 C32 111.2(3) . . ?
 C32 C30 H30 106.8 . . ?
 C30 C31 H31A 109.5 . . ?
 C30 C31 H31B 109.5 . . ?
 C30 C31 H31C 109.5 . . ?
 H31A C31 H31B 109.5 . . ?
 H31A C31 H31C 109.5 . . ?
 H31B C31 H31C 109.5 . . ?
 C30 C32 H32A 109.5 . . ?
 C30 C32 H32B 109.5 . . ?
 C30 C32 H32C 109.5 . . ?
 H32A C32 H32B 109.5 . . ?
 H32A C32 H32C 109.5 . . ?
 H32B C32 H32C 109.5 . . ?
 C25 C33 H33 107.9 . . ?
 C25 C33 C35 111.8(3) . . ?
 C34 C33 C25 110.6(3) . . ?
 C34 C33 H33 107.9 . . ?
 C34 C33 C35 110.5(3) . . ?
 C35 C33 H33 107.9 . . ?
 C33 C34 H34A 109.5 . . ?
 C33 C34 H34B 109.5 . . ?
 C33 C34 H34C 109.5 . . ?
 H34A C34 H34B 109.5 . . ?
 H34A C34 H34C 109.5 . . ?
 H34B C34 H34C 109.5 . . ?
 C33 C35 H35A 109.5 . . ?
 C33 C35 H35B 109.5 . . ?
 C33 C35 H35C 109.5 . . ?
 H35A C35 H35B 109.5 . . ?
 H35A C35 H35C 109.5 . . ?
 H35B C35 H35C 109.5 . . ?
 B1 C36 H36 118.3 . . ?
 B1 C36 B2 62.6(2) . . ?
 B1 C36 B3 114.4(2) . . ?
 B1 C36 B4 113.9(2) . . ?
 B1 C36 B5 62.4(2) . . ?
 B2 C36 H36 117.5 . . ?
 B2 C36 B5 114.7(2) . . ?
 B3 C36 H36 117.4 . . ?
 B3 C36 B2 62.7(2) . . ?
 B3 C36 B5 114.9(2) . . ?
 B4 C36 H36 117.8 . . ?
 B4 C36 B2 115.0(2) . . ?
 B4 C36 B3 63.3(2) . . ?
 B4 C36 B5 62.3(2) . . ?
 B5 C36 H36 117.8 . . ?
 Cl1 B1 B2 120.1(2) . . ?
 Cl1 B1 B5 118.1(2) . . ?
 Cl1 B1 B6 125.2(2) . . ?
 Cl1 B1 B7 126.5(2) . . ?
 C36 B1 Cl1 119.2(2) . . ?
 C36 B1 B2 59.08(19) . . ?
 C36 B1 B5 59.35(19) . . ?
 C36 B1 B6 105.8(2) . . ?
 C36 B1 B7 105.3(2) . . ?
 B5 B1 B2 109.2(3) . . ?
 B6 B1 B2 108.9(2) . . ?
 B6 B1 B5 60.5(2) . . ?
 B7 B1 B2 60.02(19) . . ?
 B7 B1 B5 109.1(2) . . ?
 B7 B1 B6 60.55(19) . . ?
 Cl2 B2 B1 120.9(2) . . ?
 Cl2 B2 B3 119.5(2) . . ?
 Cl2 B2 B7 126.3(2) . . ?
 Cl2 B2 B8 125.7(2) . . ?
 C36 B2 Cl2 120.3(2) . . ?
 C36 B2 B1 58.29(19) . . ?
 C36 B2 B3 58.41(19) . . ?
 C36 B2 B7 104.5(2) . . ?
 C36 B2 B8 104.4(2) . . ?
 B1 B2 B3 107.3(2) . . ?
 B7 B2 B1 59.80(19) . . ?
 B7 B2 B3 108.2(2) . . ?
 B8 B2 B1 107.9(2) . . ?
 B8 B2 B3 59.86(19) . . ?
 B8 B2 B7 60.52(19) . . ?
 Cl3 B3 B2 119.6(2) . . ?
 Cl3 B3 B4 120.2(2) . . ?
 Cl3 B3 B8 126.0(2) . . ?
 Cl3 B3 B9 126.4(2) . . ?
 C36 B3 Cl3 119.9(2) . . ?
 C36 B3 B2 58.87(19) . . ?
 C36 B3 B4 58.32(19) . . ?
 C36 B3 B8 104.7(2) . . ?
 C36 B3 B9 104.5(2) . . ?
 B2 B3 B4 107.8(2) . . ?
 B8 B3 B2 59.76(19) . . ?
 B8 B3 B4 108.1(2) . . ?
 B8 B3 B9 60.47(19) . . ?
 B9 B3 B2 108.1(2) . . ?
 B9 B3 B4 59.8(2) . . ?
 Cl4 B4 B3 119.8(2) . . ?
 Cl4 B4 B5 120.2(2) . . ?
 Cl4 B4 B9 125.1(2) . . ?
 Cl4 B4 B10 125.3(2) . . ?
 C36 B4 Cl4 120.9(2) . . ?
 C36 B4 B3 58.40(19) . . ?
 C36 B4 B5 59.3(2) . . ?
 C36 B4 B9 104.4(2) . . ?
 C36 B4 B10 105.1(2) . . ?
 B5 B4 B3 108.4(2) . . ?
 B5 B4 B9 108.5(2) . . ?
 B9 B4 B3 59.7(2) . . ?
 B10 B4 B3 108.5(2) . . ?
 B10 B4 B5 60.0(2) . . ?
 B10 B4 B9 60.7(2) . . ?
 Cl5 B5 B1 120.2(2) . . ?
 Cl5 B5 B4 120.1(2) . . ?
 Cl5 B5 B6 126.1(2) . . ?
 Cl5 B5 B10 126.2(2) . . ?
 C36 B5 Cl5 120.2(2) . . ?
 C36 B5 B1 58.23(19) . . ?
 C36 B5 B4 58.41(19) . . ?
 C36 B5 B6 104.3(2) . . ?
 C36 B5 B10 104.4(2) . . ?
 B1 B5 B6 59.6(2) . . ?
 B4 B5 B1 107.3(3) . . ?
 B4 B5 B6 108.1(2) . . ?
 B10 B5 B1 107.8(2) . . ?
 B10 B5 B4 59.8(2) . . ?
 B10 B5 B6 60.6(2) . . ?
 Cl6 B6 B1 122.3(2) . . ?
 Cl6 B6 B5 121.8(2) . . ?
 Cl6 B6 B7 121.7(2) . . ?
 Cl6 B6 B10 122.0(2) . . ?
 Cl6 B6 B11 122.0(2) . . ?
 B1 B6 B5 59.9(2) . . ?
 B1 B6 B7 59.72(19) . . ?
 B1 B6 B10 107.0(2) . . ?
 B1 B6 B11 107.4(2) . . ?
 B5 B6 B7 108.0(2) . . ?
 B5 B6 B10 59.3(2) . . ?
 B7 B6 B10 108.1(2) . . ?
 B11 B6 B5 107.6(2) . . ?
 B11 B6 B7 60.09(19) . . ?
 B11 B6 B10 60.19(19) . . ?
 Cl7 B7 B1 121.4(2) . . ?
 Cl7 B7 B2 120.8(2) . . ?
 Cl7 B7 B6 121.7(2) . . ?
 Cl7 B7 B8 122.1(2) . . ?
 Cl7 B7 B11 122.9(2) . . ?
 B1 B7 B2 60.2(2) . . ?
 B1 B7 B6 59.7(2) . . ?
 B1 B7 B8 107.5(2) . . ?
 B1 B7 B11 107.2(2) . . ?
 B2 B7 B6 108.4(2) . . ?
 B2 B7 B8 59.64(19) . . ?
 B2 B7 B11 108.0(2) . . ?
 B6 B7 B8 108.3(2) . . ?
 B6 B7 B11 59.91(19) . . ?
 B8 B7 B11 60.28(19) . . ?
 Cl8 B8 B7 121.5(2) . . ?
 Cl8 B8 B9 122.3(2) . . ?
 Cl8 B8 B11 122.2(2) . . ?
 B2 B8 Cl8 121.2(2) . . ?
 B2 B8 B3 60.39(19) . . ?
 B2 B8 B7 59.83(19) . . ?
 B2 B8 B9 108.1(2) . . ?
 B2 B8 B11 107.8(2) . . ?
 B3 B8 Cl8 121.8(2) . . ?
 B3 B8 B7 108.0(2) . . ?
 B3 B8 B9 59.90(19) . . ?
 B3 B8 B11 107.7(2) . . ?
 B7 B8 B9 107.7(2) . . ?
 B7 B8 B11 59.87(19) . . ?
 B9 B8 B11 59.78(19) . . ?
 Cl9 B9 B3 121.2(2) . . ?
 Cl9 B9 B4 120.8(2) . . ?
 Cl9 B9 B8 122.5(2) . . ?
 Cl9 B9 B10 121.4(2) . . ?
 Cl9 B9 B11 122.7(2) . . ?
 B3 B9 B4 60.5(2) . . ?
 B3 B9 B8 59.63(19) . . ?
 B3 B9 B10 108.0(2) . . ?
 B3 B9 B11 107.9(2) . . ?
 B4 B9 B8 107.9(2) . . ?
 B4 B9 B10 59.3(2) . . ?
 B4 B9 B11 107.6(2) . . ?
 B8 B9 B10 108.3(2) . . ?
 B11 B9 B8 60.29(19) . . ?
 B11 B9 B10 60.18(19) . . ?
 Cl10 B10 B4 120.5(2) . . ?
 Cl10 B10 B5 121.6(2) . . ?
 Cl10 B10 B6 123.1(2) . . ?
 Cl10 B10 B9 121.1(2) . . ?
 Cl10 B10 B11 122.7(2) . . ?
 B4 B10 B5 60.2(2) . . ?
 B4 B10 B6 108.0(2) . . ?
 B4 B10 B9 60.0(2) . . ?
 B4 B10 B11 107.7(2) . . ?
 B5 B10 B6 60.1(2) . . ?
 B5 B10 B9 108.1(2) . . ?
 B5 B10 B11 107.9(2) . . ?
 B6 B10 B11 59.65(19) . . ?
 B9 B10 B6 107.6(2) . . ?
 B9 B10 B11 59.73(19) . . ?
 Cl11 B11 B6 121.8(2) . . ?
 Cl11 B11 B7 121.3(2) . . ?
 Cl11 B11 B8 121.2(2) . . ?
 Cl11 B11 B9 121.8(2) . . ?
 Cl11 B11 B10 122.3(2) . . ?
 B6 B11 B7 60.00(19) . . ?
 B6 B11 B8 108.0(2) . . ?
 B6 B11 B9 108.3(2) . . ?
 B6 B11 B10 60.2(2) . . ?
 B7 B11 B8 59.85(19) . . ?
 B7 B11 B10 108.0(2) . . ?
 B9 B11 B7 107.9(2) . . ?
 B9 B11 B8 59.93(19) . . ?
 B9 B11 B10 60.1(2) . . ?
 B10 B11 B8 108.0(2) . . ?

loop_
  _geom_torsion_atom_site_label_1
  _geom_torsion_atom_site_label_2
  _geom_torsion_atom_site_label_3
  _geom_torsion_atom_site_label_4
  _geom_torsion
  _geom_torsion_site_symmetry_1
  _geom_torsion_site_symmetry_2
  _geom_torsion_site_symmetry_3
  _geom_torsion_site_symmetry_4
  _geom_torsion_publ_flag
 In1 N1 C16 C6 -17.3(4) . . . . ?
 In1 N1 C16 C17 165.2(2) . . . . ?
 In1 N1 C20 C19 -169.4(3) . . . . ?
 In1 N1 C20 C26 10.5(3) . . . . ?
 N1 C16 C17 C18 0.6(5) . . . . ?
 N1 C20 C26 C21 75.3(3) . . . . ?
 N1 C20 C26 C25 -96.8(3) . . . . ?
 C1 C2 C3 C4 0.1(5) . . . . ?
 C1 C2 C3 C10 180.0(3) . . . . ?
 C1 C6 C16 N1 79.0(4) . . . . ?
 C1 C6 C16 C17 -103.6(4) . . . . ?
 C2 C1 C6 C5 2.3(4) . . . . ?
 C2 C1 C6 C16 -178.6(3) . . . . ?
 C2 C1 C7 C8 -62.6(4) . . . . ?
 C2 C1 C7 C9 59.8(4) . . . . ?
 C2 C3 C4 C5 1.2(5) . . . . ?
 C2 C3 C10 C11 114.8(3) . . . . ?
 C2 C3 C10 C12 -121.6(3) . . . . ?
 C3 C4 C5 C6 -0.7(5) . . . . ?
 C3 C4 C5 C13 -179.7(3) . . . . ?
 C4 C3 C10 C11 -65.2(4) . . . . ?
 C4 C3 C10 C12 58.3(4) . . . . ?
 C4 C5 C6 C1 -1.1(5) . . . . ?
 C4 C5 C6 C16 179.8(3) . . . . ?
 C4 C5 C13 C14 79.4(4) . . . . ?
 C4 C5 C13 C15 -44.6(4) . . . . ?
 C5 C6 C16 N1 -101.9(3) . . . . ?
 C5 C6 C16 C17 75.5(4) . . . . ?
 C6 C1 C2 C3 -1.8(5) . . . . ?
 C6 C1 C7 C8 115.3(3) . . . . ?
 C6 C1 C7 C9 -122.4(3) . . . . ?
 C6 C5 C13 C14 -99.6(4) . . . . ?
 C6 C5 C13 C15 136.3(3) . . . . ?
 C6 C16 C17 C18 -176.8(3) . . . . ?
 C7 C1 C2 C3 176.2(3) . . . . ?
 C7 C1 C6 C5 -175.6(3) . . . . ?
 C7 C1 C6 C16 3.5(4) . . . . ?
 C10 C3 C4 C5 -178.7(3) . . . . ?
 C13 C5 C6 C1 177.9(3) . . . . ?
 C13 C5 C6 C16 -1.2(4) . . . . ?
 C16 N1 C20 C19 1.2(4) . . . . ?
 C16 N1 C20 C26 -178.9(3) . . . . ?
 C16 C17 C18 C19 0.9(5) . . . . ?
 C17 C18 C19 C20 -1.3(5) . . . . ?
 C18 C19 C20 N1 0.2(5) . . . . ?
 C18 C19 C20 C26 -179.6(3) . . . . ?
 C19 C20 C26 C21 -104.8(4) . . . . ?
 C19 C20 C26 C25 83.1(4) . . . . ?
 C20 N1 C16 C6 175.8(3) . . . . ?
 C20 N1 C16 C17 -1.6(4) . . . . ?
 C21 C22 C23 C24 -0.4(5) . . . . ?
 C21 C22 C23 C30 178.4(3) . . . . ?
 C22 C21 C26 C20 -170.2(3) . . . . ?
 C22 C21 C26 C25 1.7(4) . . . . ?
 C22 C21 C27 C28 -43.2(4) . . . . ?
 C22 C21 C27 C29 81.1(4) . . . . ?
 C22 C23 C24 C25 1.5(5) . . . . ?
 C22 C23 C30 C31 158.2(3) . . . . ?
 C22 C23 C30 C32 -75.5(4) . . . . ?
 C23 C24 C25 C26 -0.9(5) . . . . ?
 C23 C24 C25 C33 179.4(3) . . . . ?
 C24 C23 C30 C31 -23.0(5) . . . . ?
 C24 C23 C30 C32 103.3(4) . . . . ?
 C24 C25 C26 C20 171.1(3) . . . . ?
 C24 C25 C26 C21 -0.7(4) . . . . ?
 C24 C25 C33 C34 69.0(4) . . . . ?
 C24 C25 C33 C35 -54.7(4) . . . . ?
 C26 C21 C22 C23 -1.1(4) . . . . ?
 C26 C21 C27 C28 135.4(3) . . . . ?
 C26 C21 C27 C29 -100.3(3) . . . . ?
 C26 C25 C33 C34 -110.6(3) . . . . ?
 C26 C25 C33 C35 125.7(3) . . . . ?
 C27 C21 C22 C23 177.5(3) . . . . ?
 C27 C21 C26 C20 11.2(4) . . . . ?
 C27 C21 C26 C25 -176.9(3) . . . . ?
 C30 C23 C24 C25 -177.3(3) . . . . ?
 C33 C25 C26 C20 -9.3(4) . . . . ?
 C33 C25 C26 C21 178.9(3) . . . . ?
 Cl1 B1 B2 Cl2 -0.6(4) . . . . ?
 Cl1 B1 B2 C36 108.1(3) . . . . ?
 Cl1 B1 B2 B3 141.2(2) . . . . ?
 Cl1 B1 B2 B7 -117.4(3) . . . . ?
 Cl1 B1 B2 B8 -155.6(2) . . . . ?
 Cl1 B1 B5 Cl5 -0.1(4) . . . . ?
 Cl1 B1 B5 C36 -109.1(3) . . . . ?
 Cl1 B1 B5 B4 -142.2(2) . . . . ?
 Cl1 B1 B5 B6 116.6(3) . . . . ?
 Cl1 B1 B5 B10 154.7(2) . . . . ?
 Cl1 B1 B6 Cl6 5.4(4) . . . . ?
 Cl1 B1 B6 B5 -105.3(3) . . . . ?
 Cl1 B1 B6 B7 116.0(3) . . . . ?
 Cl1 B1 B6 B10 -142.6(3) . . . . ?
 Cl1 B1 B6 B11 154.1(2) . . . . ?
 Cl1 B1 B7 Cl7 -3.0(4) . . . . ?
 Cl1 B1 B7 B2 107.0(3) . . . . ?
 Cl1 B1 B7 B6 -113.9(3) . . . . ?
 Cl1 B1 B7 B8 144.7(3) . . . . ?
 Cl1 B1 B7 B11 -151.8(3) . . . . ?
 Cl2 B2 B3 Cl3 0.3(4) . . . . ?
 Cl2 B2 B3 C36 109.4(3) . . . . ?
 Cl2 B2 B3 B4 142.5(2) . . . . ?
 Cl2 B2 B3 B8 -116.5(3) . . . . ?
 Cl2 B2 B3 B9 -154.3(2) . . . . ?
 Cl2 B2 B7 Cl7 3.0(4) . . . . ?
 Cl2 B2 B7 B1 -108.0(3) . . . . ?
 Cl2 B2 B7 B6 -144.6(3) . . . . ?
 Cl2 B2 B7 B8 114.6(3) . . . . ?
 Cl2 B2 B7 B11 152.0(3) . . . . ?
 Cl2 B2 B8 Cl8 -4.9(4) . . . . ?
 Cl2 B2 B8 B3 106.5(3) . . . . ?
 Cl2 B2 B8 B7 -115.6(3) . . . . ?
 Cl2 B2 B8 B9 144.0(2) . . . . ?
 Cl2 B2 B8 B11 -152.8(2) . . . . ?
 Cl3 B3 B4 Cl4 -1.4(4) . . . . ?
 Cl3 B3 B4 C36 108.6(3) . . . . ?
 Cl3 B3 B4 B5 141.8(2) . . . . ?
 Cl3 B3 B4 B9 -117.1(3) . . . . ?
 Cl3 B3 B4 B10 -154.6(2) . . . . ?
 Cl3 B3 B8 Cl8 4.0(4) . . . . ?
 Cl3 B3 B8 B2 -106.5(3) . . . . ?
 Cl3 B3 B8 B7 -144.0(3) . . . . ?
 Cl3 B3 B8 B9 115.5(3) . . . . ?
 Cl3 B3 B8 B11 152.8(2) . . . . ?
 Cl3 B3 B9 Cl9 -3.0(4) . . . . ?
 Cl3 B3 B9 B4 107.2(3) . . . . ?
 Cl3 B3 B9 B8 -114.9(3) . . . . ?
 Cl3 B3 B9 B10 144.0(3) . . . . ?
 Cl3 B3 B9 B11 -152.4(2) . . . . ?
 Cl4 B4 B5 Cl5 1.1(4) . . . . ?
 Cl4 B4 B5 C36 110.2(3) . . . . ?
 Cl4 B4 B5 B1 143.2(2) . . . . ?
 Cl4 B4 B5 B6 -153.9(2) . . . . ?
 Cl4 B4 B5 B10 -115.8(3) . . . . ?
 Cl4 B4 B9 Cl9 3.9(4) . . . . ?
 Cl4 B4 B9 B3 -107.0(3) . . . . ?
 Cl4 B4 B9 B8 -144.4(3) . . . . ?
 Cl4 B4 B9 B10 114.5(3) . . . . ?
 Cl4 B4 B9 B11 151.9(2) . . . . ?
 Cl4 B4 B10 Cl10 -3.6(4) . . . . ?
 Cl4 B4 B10 B5 107.6(3) . . . . ?
 Cl4 B4 B10 B6 145.4(3) . . . . ?
 Cl4 B4 B10 B9 -114.3(3) . . . . ?
 Cl4 B4 B10 B11 -151.6(3) . . . . ?
 Cl5 B5 B6 Cl6 -4.4(4) . . . . ?
 Cl5 B5 B6 B1 107.1(3) . . . . ?
 Cl5 B5 B6 B7 143.9(3) . . . . ?
 Cl5 B5 B6 B10 -115.3(3) . . . . ?
 Cl5 B5 B6 B11 -152.6(2) . . . . ?
 Cl5 B5 B10 Cl10 2.5(4) . . . . ?
 Cl5 B5 B10 B4 -107.0(3) . . . . ?
 Cl5 B5 B10 B6 115.2(3) . . . . ?
 Cl5 B5 B10 B9 -144.5(3) . . . . ?
 Cl5 B5 B10 B11 152.4(3) . . . . ?
 Cl6 B6 B7 Cl7 1.0(4) . . . . ?
 Cl6 B6 B7 B1 111.4(3) . . . . ?
 Cl6 B6 B7 B2 148.2(2) . . . . ?
 Cl6 B6 B7 B8 -148.6(2) . . . . ?
 Cl6 B6 B7 B11 -111.3(3) . . . . ?
 Cl6 B6 B10 Cl10 -0.3(4) . . . . ?
 Cl6 B6 B10 B4 -148.4(2) . . . . ?
 Cl6 B6 B10 B5 -110.5(3) . . . . ?
 Cl6 B6 B10 B9 148.3(2) . . . . ?
 Cl6 B6 B10 B11 111.2(3) . . . . ?
 Cl6 B6 B11 Cl11 0.5(4) . . . . ?
 Cl6 B6 B11 B7 110.9(3) . . . . ?
 Cl6 B6 B11 B8 148.0(2) . . . . ?
 Cl6 B6 B11 B9 -148.6(2) . . . . ?
 Cl6 B6 B11 B10 -111.2(3) . . . . ?
 Cl7 B7 B8 Cl8 -0.8(4) . . . . ?
 Cl7 B7 B8 B2 109.5(3) . . . . ?
 Cl7 B7 B8 B3 147.2(2) . . . . ?
 Cl7 B7 B8 B9 -149.5(2) . . . . ?
 Cl7 B7 B8 B11 -112.3(3) . . . . ?
 Cl7 B7 B11 Cl11 0.7(4) . . . . ?
 Cl7 B7 B11 B6 -110.4(3) . . . . ?
 Cl7 B7 B11 B8 111.1(3) . . . . ?
 Cl7 B7 B11 B9 148.4(2) . . . . ?
 Cl7 B7 B11 B10 -148.1(2) . . . . ?
 Cl8 B8 B9 Cl9 0.9(4) . . . . ?
 Cl8 B8 B9 B3 110.7(3) . . . . ?
 Cl8 B8 B9 B4 148.5(2) . . . . ?
 Cl8 B8 B9 B10 -148.7(2) . . . . ?
 Cl8 B8 B9 B11 -111.1(3) . . . . ?
 Cl8 B8 B11 Cl11 0.2(4) . . . . ?
 Cl8 B8 B11 B6 -147.5(2) . . . . ?
 Cl8 B8 B11 B7 -110.4(3) . . . . ?
 Cl8 B8 B11 B9 111.4(3) . . . . ?
 Cl8 B8 B11 B10 148.9(2) . . . . ?
 Cl9 B9 B10 Cl10 -0.1(4) . . . . ?
 Cl9 B9 B10 B4 109.6(3) . . . . ?
 Cl9 B9 B10 B5 147.2(2) . . . . ?
 Cl9 B9 B10 B6 -149.3(2) . . . . ?
 Cl9 B9 B10 B11 -112.3(3) . . . . ?
 Cl9 B9 B11 Cl11 -1.4(4) . . . . ?
 Cl9 B9 B11 B6 147.7(2) . . . . ?
 Cl9 B9 B11 B7 -148.9(2) . . . . ?
 Cl9 B9 B11 B8 -111.6(3) . . . . ?
 Cl9 B9 B11 B10 110.3(3) . . . . ?
 Cl10 B10 B11 Cl11 1.2(4) . . . . ?
 Cl10 B10 B11 B6 112.1(3) . . . . ?
 Cl10 B10 B11 B7 149.7(2) . . . . ?
 Cl10 B10 B11 B8 -147.1(2) . . . . ?
 Cl10 B10 B11 B9 -109.6(3) . . . . ?
 C36 B1 B2 Cl2 -108.8(3) . . . . ?
 C36 B1 B2 B3 33.1(2) . . . . ?
 C36 B1 B2 B7 134.5(2) . . . . ?
 C36 B1 B2 B8 96.3(3) . . . . ?
 C36 B1 B5 Cl5 109.0(3) . . . . ?
 C36 B1 B5 B4 -33.1(2) . . . . ?
 C36 B1 B5 B6 -134.3(3) . . . . ?
 C36 B1 B5 B10 -96.2(3) . . . . ?
 C36 B1 B6 Cl6 150.5(2) . . . . ?
 C36 B1 B6 B5 39.8(2) . . . . ?
 C36 B1 B6 B7 -98.9(3) . . . . ?
 C36 B1 B6 B10 2.4(3) . . . . ?
 C36 B1 B6 B11 -60.9(3) . . . . ?
 C36 B1 B7 Cl7 -149.4(2) . . . . ?
 C36 B1 B7 B2 -39.4(2) . . . . ?
 C36 B1 B7 B6 99.7(3) . . . . ?
 C36 B1 B7 B8 -1.7(3) . . . . ?
 C36 B1 B7 B11 61.8(3) . . . . ?
 C36 B2 B3 Cl3 -109.1(3) . . . . ?
 C36 B2 B3 B4 33.1(2) . . . . ?
 C36 B2 B3 B8 134.1(2) . . . . ?
 C36 B2 B3 B9 96.3(3) . . . . ?
 C36 B2 B7 Cl7 149.8(2) . . . . ?
 C36 B2 B7 B1 38.8(2) . . . . ?
 C36 B2 B7 B6 2.3(3) . . . . ?
 C36 B2 B7 B8 -98.6(3) . . . . ?
 C36 B2 B7 B11 -61.1(3) . . . . ?
 C36 B2 B8 Cl8 -150.5(2) . . . . ?
 C36 B2 B8 B3 -39.2(2) . . . . ?
 C36 B2 B8 B7 98.7(2) . . . . ?
 C36 B2 B8 B9 -1.7(3) . . . . ?
 C36 B2 B8 B11 61.5(3) . . . . ?
 C36 B3 B4 Cl4 -110.0(3) . . . . ?
 C36 B3 B4 B5 33.2(2) . . . . ?
 C36 B3 B4 B9 134.3(3) . . . . ?
 C36 B3 B4 B10 96.8(3) . . . . ?
 C36 B3 B8 Cl8 149.9(2) . . . . ?
 C36 B3 B8 B2 39.5(2) . . . . ?
 C36 B3 B8 B7 2.0(3) . . . . ?
 C36 B3 B8 B9 -98.5(3) . . . . ?
 C36 B3 B8 B11 -61.3(3) . . . . ?
 C36 B3 B9 Cl9 -149.2(2) . . . . ?
 C36 B3 B9 B4 -39.0(2) . . . . ?
 C36 B3 B9 B8 98.9(3) . . . . ?
 C36 B3 B9 B10 -2.2(3) . . . . ?
 C36 B3 B9 B11 61.4(3) . . . . ?
 C36 B4 B5 Cl5 -109.1(3) . . . . ?
 C36 B4 B5 B1 33.0(2) . . . . ?
 C36 B4 B5 B6 95.9(3) . . . . ?
 C36 B4 B5 B10 134.0(3) . . . . ?
 C36 B4 B9 Cl9 149.9(2) . . . . ?
 C36 B4 B9 B3 39.0(2) . . . . ?
 C36 B4 B9 B8 1.6(3) . . . . ?
 C36 B4 B9 B10 -99.5(3) . . . . ?
 C36 B4 B9 B11 -62.0(3) . . . . ?
 C36 B4 B10 Cl10 -151.1(2) . . . . ?
 C36 B4 B10 B5 -39.9(2) . . . . ?
 C36 B4 B10 B6 -2.0(3) . . . . ?
 C36 B4 B10 B9 98.3(3) . . . . ?
 C36 B4 B10 B11 61.0(3) . . . . ?
 C36 B5 B6 Cl6 -150.4(2) . . . . ?
 C36 B5 B6 B1 -38.9(2) . . . . ?
 C36 B5 B6 B7 -2.1(3) . . . . ?
 C36 B5 B6 B10 98.7(3) . . . . ?
 C36 B5 B6 B11 61.4(3) . . . . ?
 C36 B5 B10 Cl10 148.8(2) . . . . ?
 C36 B5 B10 B4 39.3(2) . . . . ?
 C36 B5 B10 B6 -98.5(3) . . . . ?
 C36 B5 B10 B9 1.8(3) . . . . ?
 C36 B5 B10 B11 -61.3(3) . . . . ?
 B1 C36 B2 Cl2 109.7(3) . . . . ?
 B1 C36 B2 B3 -142.2(2) . . . . ?
 B1 C36 B2 B7 -39.6(2) . . . . ?
 B1 C36 B2 B8 -102.3(3) . . . . ?
 B1 C36 B3 Cl3 145.2(2) . . . . ?
 B1 C36 B3 B2 36.7(2) . . . . ?
 B1 C36 B3 B4 -105.7(3) . . . . ?
 B1 C36 B3 B8 -3.2(3) . . . . ?
 B1 C36 B3 B9 -65.9(3) . . . . ?
 B1 C36 B4 Cl4 -145.4(2) . . . . ?
 B1 C36 B4 B3 106.4(3) . . . . ?
 B1 C36 B4 B5 -36.4(2) . . . . ?
 B1 C36 B4 B9 66.8(3) . . . . ?
 B1 C36 B4 B10 3.8(3) . . . . ?
 B1 C36 B5 Cl5 -108.9(3) . . . . ?
 B1 C36 B5 B4 142.3(3) . . . . ?
 B1 C36 B5 B6 39.6(2) . . . . ?
 B1 C36 B5 B10 102.3(3) . . . . ?
 B1 B2 B3 Cl3 -142.2(2) . . . . ?
 B1 B2 B3 C36 -33.1(2) . . . . ?
 B1 B2 B3 B4 0.0(3) . . . . ?
 B1 B2 B3 B8 101.0(3) . . . . ?
 B1 B2 B3 B9 63.2(3) . . . . ?
 B1 B2 B7 Cl7 111.0(3) . . . . ?
 B1 B2 B7 B6 -36.6(2) . . . . ?
 B1 B2 B7 B8 -137.4(3) . . . . ?
 B1 B2 B7 B11 -100.0(3) . . . . ?
 B1 B2 B8 Cl8 148.6(2) . . . . ?
 B1 B2 B8 B3 -100.0(3) . . . . ?
 B1 B2 B8 B7 37.9(2) . . . . ?
 B1 B2 B8 B9 -62.5(3) . . . . ?
 B1 B2 B8 B11 0.7(3) . . . . ?
 B1 B5 B6 Cl6 -111.5(3) . . . . ?
 B1 B5 B6 B7 36.8(2) . . . . ?
 B1 B5 B6 B10 137.6(3) . . . . ?
 B1 B5 B6 B11 100.2(3) . . . . ?
 B1 B5 B10 Cl10 -150.4(2) . . . . ?
 B1 B5 B10 B4 100.0(3) . . . . ?
 B1 B5 B10 B6 -37.7(2) . . . . ?
 B1 B5 B10 B9 62.6(3) . . . . ?
 B1 B5 B10 B11 -0.6(3) . . . . ?
 B1 B6 B7 Cl7 -110.4(3) . . . . ?
 B1 B6 B7 B2 36.8(2) . . . . ?
 B1 B6 B7 B8 100.0(3) . . . . ?
 B1 B6 B7 B11 137.3(3) . . . . ?
 B1 B6 B10 Cl10 147.9(2) . . . . ?
 B1 B6 B10 B4 -0.2(3) . . . . ?
 B1 B6 B10 B5 37.6(2) . . . . ?
 B1 B6 B10 B9 -63.6(3) . . . . ?
 B1 B6 B10 B11 -100.6(3) . . . . ?
 B1 B6 B11 Cl11 -148.3(2) . . . . ?
 B1 B6 B11 B7 -37.9(2) . . . . ?
 B1 B6 B11 B8 -0.8(3) . . . . ?
 B1 B6 B11 B9 62.6(3) . . . . ?
 B1 B6 B11 B10 100.0(3) . . . . ?
 B1 B7 B8 Cl8 -148.3(2) . . . . ?
 B1 B7 B8 B2 -38.0(2) . . . . ?
 B1 B7 B8 B3 -0.2(3) . . . . ?
 B1 B7 B8 B9 63.1(3) . . . . ?
 B1 B7 B8 B11 100.3(3) . . . . ?
 B1 B7 B11 Cl11 149.0(2) . . . . ?
 B1 B7 B11 B6 37.8(2) . . . . ?
 B1 B7 B11 B8 -100.6(3) . . . . ?
 B1 B7 B11 B9 -63.4(3) . . . . ?
 B1 B7 B11 B10 0.1(3) . . . . ?
 B2 C36 B1 Cl1 -109.5(3) . . . . ?
 B2 C36 B1 B5 143.3(2) . . . . ?
 B2 C36 B1 B6 103.0(3) . . . . ?
 B2 C36 B1 B7 39.9(2) . . . . ?
 B2 C36 B3 Cl3 108.5(3) . . . . ?
 B2 C36 B3 B4 -142.4(2) . . . . ?
 B2 C36 B3 B8 -39.9(2) . . . . ?
 B2 C36 B3 B9 -102.6(2) . . . . ?
 B2 C36 B4 Cl4 144.9(2) . . . . ?
 B2 C36 B4 B3 36.8(2) . . . . ?
 B2 C36 B4 B5 -106.0(3) . . . . ?
 B2 C36 B4 B9 -2.9(3) . . . . ?
 B2 C36 B4 B10 -65.8(3) . . . . ?
 B2 C36 B5 Cl5 -144.7(2) . . . . ?
 B2 C36 B5 B1 -35.8(2) . . . . ?
 B2 C36 B5 B4 106.5(3) . . . . ?
 B2 C36 B5 B6 3.8(3) . . . . ?
 B2 C36 B5 B10 66.5(3) . . . . ?
 B2 B1 B5 Cl5 141.9(2) . . . . ?
 B2 B1 B5 C36 32.9(2) . . . . ?
 B2 B1 B5 B4 -0.2(3) . . . . ?
 B2 B1 B5 B6 -101.4(3) . . . . ?
 B2 B1 B5 B10 -63.3(3) . . . . ?
 B2 B1 B6 Cl6 -147.4(2) . . . . ?
 B2 B1 B6 B5 101.9(3) . . . . ?
 B2 B1 B6 B7 -36.8(2) . . . . ?
 B2 B1 B6 B10 64.5(3) . . . . ?
 B2 B1 B6 B11 1.2(3) . . . . ?
 B2 B1 B7 Cl7 -110.0(3) . . . . ?
 B2 B1 B7 B6 139.1(3) . . . . ?
 B2 B1 B7 B8 37.7(2) . . . . ?
 B2 B1 B7 B11 101.2(3) . . . . ?
 B2 B3 B4 Cl4 -143.3(2) . . . . ?
 B2 B3 B4 C36 -33.3(2) . . . . ?
 B2 B3 B4 B5 -0.1(3) . . . . ?
 B2 B3 B4 B9 101.0(3) . . . . ?
 B2 B3 B4 B10 63.5(3) . . . . ?
 B2 B3 B8 Cl8 110.4(3) . . . . ?
 B2 B3 B8 B7 -37.5(2) . . . . ?
 B2 B3 B8 B9 -138.0(3) . . . . ?
 B2 B3 B8 B11 -100.8(3) . . . . ?
 B2 B3 B9 Cl9 149.3(2) . . . . ?
 B2 B3 B9 B4 -100.5(3) . . . . ?
 B2 B3 B9 B8 37.4(2) . . . . ?
 B2 B3 B9 B10 -63.7(3) . . . . ?
 B2 B3 B9 B11 0.0(3) . . . . ?
 B2 B7 B8 Cl8 -110.3(3) . . . . ?
 B2 B7 B8 B3 37.8(2) . . . . ?
 B2 B7 B8 B9 101.1(3) . . . . ?
 B2 B7 B8 B11 138.2(2) . . . . ?
 B2 B7 B11 Cl11 -147.6(2) . . . . ?
 B2 B7 B11 B6 101.3(3) . . . . ?
 B2 B7 B11 B8 -37.2(2) . . . . ?
 B2 B7 B11 B9 0.1(3) . . . . ?
 B2 B7 B11 B10 63.6(3) . . . . ?
 B2 B8 B9 Cl9 -147.6(2) . . . . ?
 B2 B8 B9 B3 -37.7(2) . . . . ?
 B2 B8 B9 B4 0.0(3) . . . . ?
 B2 B8 B9 B10 62.8(3) . . . . ?
 B2 B8 B9 B11 100.4(3) . . . . ?
 B2 B8 B11 Cl11 147.8(2) . . . . ?
 B2 B8 B11 B6 0.1(3) . . . . ?
 B2 B8 B11 B7 37.2(2) . . . . ?
 B2 B8 B11 B9 -101.0(3) . . . . ?
 B2 B8 B11 B10 -63.5(3) . . . . ?
 B3 C36 B1 Cl1 -146.2(2) . . . . ?
 B3 C36 B1 B2 -36.7(2) . . . . ?
 B3 C36 B1 B5 106.5(3) . . . . ?
 B3 C36 B1 B6 66.2(3) . . . . ?
 B3 C36 B1 B7 3.1(3) . . . . ?
 B3 C36 B2 Cl2 -108.0(3) . . . . ?
 B3 C36 B2 B1 142.2(2) . . . . ?
 B3 C36 B2 B7 102.6(3) . . . . ?
 B3 C36 B2 B8 39.9(2) . . . . ?
 B3 C36 B4 Cl4 108.1(3) . . . . ?
 B3 C36 B4 B5 -142.8(2) . . . . ?
 B3 C36 B4 B9 -39.7(2) . . . . ?
 B3 C36 B4 B10 -102.6(3) . . . . ?
 B3 C36 B5 Cl5 145.3(2) . . . . ?
 B3 C36 B5 B1 -105.7(3) . . . . ?
 B3 C36 B5 B4 36.5(2) . . . . ?
 B3 C36 B5 B6 -66.2(3) . . . . ?
 B3 C36 B5 B10 -3.4(3) . . . . ?
 B3 B2 B7 Cl7 -149.2(2) . . . . ?
 B3 B2 B7 B1 99.9(3) . . . . ?
 B3 B2 B7 B6 63.3(3) . . . . ?
 B3 B2 B7 B8 -37.6(2) . . . . ?
 B3 B2 B7 B11 -0.1(3) . . . . ?
 B3 B2 B8 Cl8 -111.3(3) . . . . ?
 B3 B2 B8 B7 137.9(3) . . . . ?
 B3 B2 B8 B9 37.5(2) . . . . ?
 B3 B2 B8 B11 100.7(3) . . . . ?
 B3 B4 B5 Cl5 -142.0(2) . . . . ?
 B3 B4 B5 C36 -32.9(2) . . . . ?
 B3 B4 B5 B1 0.2(3) . . . . ?
 B3 B4 B5 B6 63.1(3) . . . . ?
 B3 B4 B5 B10 101.1(3) . . . . ?
 B3 B4 B9 Cl9 110.9(3) . . . . ?
 B3 B4 B9 B8 -37.4(2) . . . . ?
 B3 B4 B9 B10 -138.5(3) . . . . ?
 B3 B4 B9 B11 -101.1(3) . . . . ?
 B3 B4 B10 Cl10 147.7(2) . . . . ?
 B3 B4 B10 B5 -101.0(3) . . . . ?
 B3 B4 B10 B6 -63.2(3) . . . . ?
 B3 B4 B10 B9 37.1(2) . . . . ?
 B3 B4 B10 B11 -0.2(3) . . . . ?
 B3 B8 B9 Cl9 -109.8(3) . . . . ?
 B3 B8 B9 B4 37.8(2) . . . . ?
 B3 B8 B9 B10 100.6(3) . . . . ?
 B3 B8 B9 B11 138.2(3) . . . . ?
 B3 B8 B11 Cl11 -148.5(2) . . . . ?
 B3 B8 B11 B6 63.8(3) . . . . ?
 B3 B8 B11 B7 101.0(3) . . . . ?
 B3 B8 B11 B9 -37.3(2) . . . . ?
 B3 B8 B11 B10 0.2(3) . . . . ?
 B3 B9 B10 Cl10 -147.0(2) . . . . ?
 B3 B9 B10 B4 -37.3(2) . . . . ?
 B3 B9 B10 B5 0.2(3) . . . . ?
 B3 B9 B10 B6 63.7(3) . . . . ?
 B3 B9 B10 B11 100.8(3) . . . . ?
 B3 B9 B11 Cl11 147.4(2) . . . . ?
 B3 B9 B11 B6 -63.5(3) . . . . ?
 B3 B9 B11 B7 0.0(3) . . . . ?
 B3 B9 B11 B8 37.2(2) . . . . ?
 B3 B9 B11 B10 -100.9(3) . . . . ?
 B4 C36 B1 Cl1 143.6(2) . . . . ?
 B4 C36 B1 B2 -106.9(3) . . . . ?
 B4 C36 B1 B5 36.4(2) . . . . ?
 B4 C36 B1 B6 -4.0(3) . . . . ?
 B4 C36 B1 B7 -67.1(3) . . . . ?
 B4 C36 B2 Cl2 -145.0(2) . . . . ?
 B4 C36 B2 B1 105.2(3) . . . . ?
 B4 C36 B2 B3 -37.0(2) . . . . ?
 B4 C36 B2 B7 65.7(3) . . . . ?
 B4 C36 B2 B8 2.9(3) . . . . ?
 B4 C36 B3 Cl3 -109.1(3) . . . . ?
 B4 C36 B3 B2 142.4(2) . . . . ?
 B4 C36 B3 B8 102.4(3) . . . . ?
 B4 C36 B3 B9 39.7(2) . . . . ?
 B4 C36 B5 Cl5 108.8(3) . . . . ?
 B4 C36 B5 B1 -142.3(3) . . . . ?
 B4 C36 B5 B6 -102.7(3) . . . . ?
 B4 C36 B5 B10 -40.0(2) . . . . ?
 B4 B3 B8 Cl8 -149.1(2) . . . . ?
 B4 B3 B8 B2 100.4(3) . . . . ?
 B4 B3 B8 B7 62.9(3) . . . . ?
 B4 B3 B8 B9 -37.6(2) . . . . ?
 B4 B3 B8 B11 -0.3(3) . . . . ?
 B4 B3 B9 Cl9 -110.2(3) . . . . ?
 B4 B3 B9 B8 137.9(3) . . . . ?
 B4 B3 B9 B10 36.8(2) . . . . ?
 B4 B3 B9 B11 100.4(3) . . . . ?
 B4 B5 B6 Cl6 148.7(2) . . . . ?
 B4 B5 B6 B1 -99.8(3) . . . . ?
 B4 B5 B6 B7 -63.0(3) . . . . ?
 B4 B5 B6 B10 37.7(2) . . . . ?
 B4 B5 B6 B11 0.4(3) . . . . ?
 B4 B5 B10 Cl10 109.6(3) . . . . ?
 B4 B5 B10 B6 -137.7(3) . . . . ?
 B4 B5 B10 B9 -37.5(2) . . . . ?
 B4 B5 B10 B11 -100.6(3) . . . . ?
 B4 B9 B10 Cl10 -109.7(3) . . . . ?
 B4 B9 B10 B5 37.5(2) . . . . ?
 B4 B9 B10 B6 101.1(3) . . . . ?
 B4 B9 B10 B11 138.1(3) . . . . ?
 B4 B9 B11 Cl11 -148.7(2) . . . . ?
 B4 B9 B11 B6 0.3(3) . . . . ?
 B4 B9 B11 B7 63.8(3) . . . . ?
 B4 B9 B11 B8 101.0(3) . . . . ?
 B4 B9 B11 B10 -37.1(2) . . . . ?
 B4 B10 B11 Cl11 148.3(2) . . . . ?
 B4 B10 B11 B6 -100.9(3) . . . . ?
 B4 B10 B11 B7 -63.3(3) . . . . ?
 B4 B10 B11 B8 0.0(3) . . . . ?
 B4 B10 B11 B9 37.4(2) . . . . ?
 B5 C36 B1 Cl1 107.2(3) . . . . ?
 B5 C36 B1 B2 -143.3(2) . . . . ?
 B5 C36 B1 B6 -40.3(2) . . . . ?
 B5 C36 B1 B7 -103.4(3) . . . . ?
 B5 C36 B2 Cl2 145.4(2) . . . . ?
 B5 C36 B2 B1 35.7(2) . . . . ?
 B5 C36 B2 B3 -106.5(3) . . . . ?
 B5 C36 B2 B7 -3.9(3) . . . . ?
 B5 C36 B2 B8 -66.6(3) . . . . ?
 B5 C36 B3 Cl3 -145.3(2) . . . . ?
 B5 C36 B3 B2 106.2(3) . . . . ?
 B5 C36 B3 B4 -36.2(2) . . . . ?
 B5 C36 B3 B8 66.3(3) . . . . ?
 B5 C36 B3 B9 3.6(3) . . . . ?
 B5 C36 B4 Cl4 -109.0(3) . . . . ?
 B5 C36 B4 B3 142.8(2) . . . . ?
 B5 C36 B4 B9 103.2(3) . . . . ?
 B5 C36 B4 B10 40.2(2) . . . . ?
 B5 B1 B2 Cl2 -141.8(2) . . . . ?
 B5 B1 B2 C36 -33.0(2) . . . . ?
 B5 B1 B2 B3 0.1(3) . . . . ?
 B5 B1 B2 B7 101.5(3) . . . . ?
 B5 B1 B2 B8 63.2(3) . . . . ?
 B5 B1 B6 Cl6 110.7(3) . . . . ?
 B5 B1 B6 B7 -138.7(3) . . . . ?
 B5 B1 B6 B10 -37.4(2) . . . . ?
 B5 B1 B6 B11 -100.7(3) . . . . ?
 B5 B1 B7 Cl7 148.3(2) . . . . ?
 B5 B1 B7 B2 -101.7(3) . . . . ?
 B5 B1 B7 B6 37.4(2) . . . . ?
 B5 B1 B7 B8 -64.0(3) . . . . ?
 B5 B1 B7 B11 -0.5(3) . . . . ?
 B5 B4 B9 Cl9 -148.2(2) . . . . ?
 B5 B4 B9 B3 101.0(3) . . . . ?
 B5 B4 B9 B8 63.6(3) . . . . ?
 B5 B4 B9 B10 -37.5(2) . . . . ?
 B5 B4 B9 B11 -0.1(3) . . . . ?
 B5 B4 B10 Cl10 -111.2(3) . . . . ?
 B5 B4 B10 B6 37.8(2) . . . . ?
 B5 B4 B10 B9 138.1(3) . . . . ?
 B5 B4 B10 B11 100.8(3) . . . . ?
 B5 B6 B7 Cl7 -147.3(2) . . . . ?
 B5 B6 B7 B1 -36.9(2) . . . . ?
 B5 B6 B7 B2 -0.1(3) . . . . ?
 B5 B6 B7 B8 63.1(3) . . . . ?
 B5 B6 B7 B11 100.4(3) . . . . ?
 B5 B6 B10 Cl10 110.3(3) . . . . ?
 B5 B6 B10 B4 -37.9(2) . . . . ?
 B5 B6 B10 B9 -101.2(3) . . . . ?
 B5 B6 B10 B11 -138.3(3) . . . . ?
 B5 B6 B11 Cl11 148.6(2) . . . . ?
 B5 B6 B11 B7 -101.0(3) . . . . ?
 B5 B6 B11 B8 -63.9(3) . . . . ?
 B5 B6 B11 B9 -0.5(3) . . . . ?
 B5 B6 B11 B10 36.9(2) . . . . ?
 B5 B10 B11 Cl11 -148.2(2) . . . . ?
 B5 B10 B11 B6 -37.3(2) . . . . ?
 B5 B10 B11 B7 0.3(3) . . . . ?
 B5 B10 B11 B8 63.5(3) . . . . ?
 B5 B10 B11 B9 101.0(3) . . . . ?
 B6 B1 B2 Cl2 153.8(2) . . . . ?
 B6 B1 B2 C36 -97.4(3) . . . . ?
 B6 B1 B2 B3 -64.3(3) . . . . ?
 B6 B1 B2 B7 37.1(2) . . . . ?
 B6 B1 B2 B8 -1.2(3) . . . . ?
 B6 B1 B5 Cl5 -116.7(3) . . . . ?
 B6 B1 B5 C36 134.3(3) . . . . ?
 B6 B1 B5 B4 101.2(3) . . . . ?
 B6 B1 B5 B10 38.1(2) . . . . ?
 B6 B1 B7 Cl7 110.9(3) . . . . ?
 B6 B1 B7 B2 -139.1(3) . . . . ?
 B6 B1 B7 B8 -101.4(3) . . . . ?
 B6 B1 B7 B11 -37.9(2) . . . . ?
 B6 B5 B10 Cl10 -112.7(3) . . . . ?
 B6 B5 B10 B4 137.7(3) . . . . ?
 B6 B5 B10 B9 100.3(3) . . . . ?
 B6 B5 B10 B11 37.1(2) . . . . ?
 B6 B7 B8 Cl8 148.7(2) . . . . ?
 B6 B7 B8 B2 -101.1(3) . . . . ?
 B6 B7 B8 B3 -63.3(3) . . . . ?
 B6 B7 B8 B9 0.0(3) . . . . ?
 B6 B7 B8 B11 37.2(2) . . . . ?
 B6 B7 B11 Cl11 111.1(3) . . . . ?
 B6 B7 B11 B8 -138.5(2) . . . . ?
 B6 B7 B11 B9 -101.2(3) . . . . ?
 B6 B7 B11 B10 -37.7(2) . . . . ?
 B6 B10 B11 Cl11 -110.8(3) . . . . ?
 B6 B10 B11 B7 37.6(2) . . . . ?
 B6 B10 B11 B8 100.9(3) . . . . ?
 B6 B10 B11 B9 138.3(2) . . . . ?
 B7 B1 B2 Cl2 116.8(3) . . . . ?
 B7 B1 B2 C36 -134.5(2) . . . . ?
 B7 B1 B2 B3 -101.3(3) . . . . ?
 B7 B1 B2 B8 -38.2(2) . . . . ?
 B7 B1 B5 Cl5 -154.2(2) . . . . ?
 B7 B1 B5 C36 96.9(3) . . . . ?
 B7 B1 B5 B4 63.8(3) . . . . ?
 B7 B1 B5 B6 -37.4(2) . . . . ?
 B7 B1 B5 B10 0.7(3) . . . . ?
 B7 B1 B6 Cl6 -110.6(3) . . . . ?
 B7 B1 B6 B5 138.7(3) . . . . ?
 B7 B1 B6 B10 101.4(3) . . . . ?
 B7 B1 B6 B11 38.0(2) . . . . ?
 B7 B2 B3 Cl3 154.7(2) . . . . ?
 B7 B2 B3 C36 -96.2(3) . . . . ?
 B7 B2 B3 B4 -63.1(3) . . . . ?
 B7 B2 B3 B8 37.9(2) . . . . ?
 B7 B2 B3 B9 0.1(3) . . . . ?
 B7 B2 B8 Cl8 110.7(3) . . . . ?
 B7 B2 B8 B3 -137.9(3) . . . . ?
 B7 B2 B8 B9 -100.4(3) . . . . ?
 B7 B2 B8 B11 -37.2(2) . . . . ?
 B7 B6 B10 Cl10 -149.2(2) . . . . ?
 B7 B6 B10 B4 62.7(3) . . . . ?
 B7 B6 B10 B5 100.6(3) . . . . ?
 B7 B6 B10 B9 -0.6(3) . . . . ?
 B7 B6 B10 B11 -37.7(2) . . . . ?
 B7 B6 B11 Cl11 -110.4(3) . . . . ?
 B7 B6 B11 B8 37.1(2) . . . . ?
 B7 B6 B11 B9 100.5(3) . . . . ?
 B7 B6 B11 B10 137.9(2) . . . . ?
 B7 B8 B9 Cl9 149.2(2) . . . . ?
 B7 B8 B9 B3 -101.0(3) . . . . ?
 B7 B8 B9 B4 -63.2(3) . . . . ?
 B7 B8 B9 B10 -0.4(3) . . . . ?
 B7 B8 B9 B11 37.2(2) . . . . ?
 B7 B8 B11 Cl11 110.6(3) . . . . ?
 B7 B8 B11 B6 -37.2(2) . . . . ?
 B7 B8 B11 B9 -138.2(2) . . . . ?
 B7 B8 B11 B10 -100.8(3) . . . . ?
 B8 B2 B3 Cl3 116.8(3) . . . . ?
 B8 B2 B3 C36 -134.1(2) . . . . ?
 B8 B2 B3 B4 -101.0(3) . . . . ?
 B8 B2 B3 B9 -37.8(2) . . . . ?
 B8 B2 B7 Cl7 -111.6(3) . . . . ?
 B8 B2 B7 B1 137.4(3) . . . . ?
 B8 B2 B7 B6 100.9(3) . . . . ?
 B8 B2 B7 B11 37.5(2) . . . . ?
 B8 B3 B4 Cl4 153.5(2) . . . . ?
 B8 B3 B4 C36 -96.4(3) . . . . ?
 B8 B3 B4 B5 -63.2(3) . . . . ?
 B8 B3 B4 B9 37.8(2) . . . . ?
 B8 B3 B4 B10 0.3(3) . . . . ?
 B8 B3 B9 Cl9 111.9(3) . . . . ?
 B8 B3 B9 B4 -137.9(3) . . . . ?
 B8 B3 B9 B10 -101.1(3) . . . . ?
 B8 B3 B9 B11 -37.5(2) . . . . ?
 B8 B7 B11 Cl11 -110.4(3) . . . . ?
 B8 B7 B11 B6 138.5(2) . . . . ?
 B8 B7 B11 B9 37.3(2) . . . . ?
 B8 B7 B11 B10 100.8(3) . . . . ?
 B8 B9 B10 Cl10 149.9(2) . . . . ?
 B8 B9 B10 B4 -100.4(3) . . . . ?
 B8 B9 B10 B5 -62.9(3) . . . . ?
 B8 B9 B10 B6 0.6(3) . . . . ?
 B8 B9 B10 B11 37.7(2) . . . . ?
 B8 B9 B11 Cl11 110.2(3) . . . . ?
 B8 B9 B11 B6 -100.7(3) . . . . ?
 B8 B9 B11 B7 -37.2(2) . . . . ?
 B8 B9 B11 B10 -138.1(2) . . . . ?
 B9 B3 B4 Cl4 115.7(3) . . . . ?
 B9 B3 B4 C36 -134.3(3) . . . . ?
 B9 B3 B4 B5 -101.1(3) . . . . ?
 B9 B3 B4 B10 -37.5(2) . . . . ?
 B9 B3 B8 Cl8 -111.6(3) . . . . ?
 B9 B3 B8 B2 138.0(3) . . . . ?
 B9 B3 B8 B7 100.5(3) . . . . ?
 B9 B3 B8 B11 37.2(2) . . . . ?
 B9 B4 B5 Cl5 154.8(2) . . . . ?
 B9 B4 B5 C36 -96.1(3) . . . . ?
 B9 B4 B5 B1 -63.1(3) . . . . ?
 B9 B4 B5 B6 -0.2(3) . . . . ?
 B9 B4 B5 B10 37.8(2) . . . . ?
 B9 B4 B10 Cl10 110.6(3) . . . . ?
 B9 B4 B10 B5 -138.1(3) . . . . ?
 B9 B4 B10 B6 -100.3(3) . . . . ?
 B9 B4 B10 B11 -37.3(2) . . . . ?
 B9 B8 B11 Cl11 -111.2(3) . . . . ?
 B9 B8 B11 B6 101.1(3) . . . . ?
 B9 B8 B11 B7 138.2(2) . . . . ?
 B9 B8 B11 B10 37.5(2) . . . . ?
 B9 B10 B11 Cl11 110.9(3) . . . . ?
 B9 B10 B11 B6 -138.3(2) . . . . ?
 B9 B10 B11 B7 -100.7(3) . . . . ?
 B9 B10 B11 B8 -37.4(2) . . . . ?
 B10 B4 B5 Cl5 116.9(3) . . . . ?
 B10 B4 B5 C36 -134.0(3) . . . . ?
 B10 B4 B5 B1 -101.0(3) . . . . ?
 B10 B4 B5 B6 -38.0(2) . . . . ?
 B10 B4 B9 Cl9 -110.6(3) . . . . ?
 B10 B4 B9 B3 138.5(3) . . . . ?
 B10 B4 B9 B8 101.1(3) . . . . ?
 B10 B4 B9 B11 37.4(2) . . . . ?
 B10 B5 B6 Cl6 110.9(3) . . . . ?
 B10 B5 B6 B1 -137.6(3) . . . . ?
 B10 B5 B6 B7 -100.8(3) . . . . ?
 B10 B5 B6 B11 -37.3(2) . . . . ?
 B10 B6 B7 Cl7 150.0(2) . . . . ?
 B10 B6 B7 B1 -99.6(3) . . . . ?
 B10 B6 B7 B2 -62.8(3) . . . . ?
 B10 B6 B7 B8 0.4(3) . . . . ?
 B10 B6 B7 B11 37.7(2) . . . . ?
 B10 B6 B11 Cl11 111.7(3) . . . . ?
 B10 B6 B11 B7 -137.9(2) . . . . ?
 B10 B6 B11 B8 -100.8(3) . . . . ?
 B10 B6 B11 B9 -37.4(2) . . . . ?
 B10 B9 B11 Cl11 -111.7(3) . . . . ?
 B10 B9 B11 B6 37.4(2) . . . . ?
 B10 B9 B11 B7 100.9(3) . . . . ?
 B10 B9 B11 B8 138.1(2) . . . . ?
 B11 B6 B7 Cl7 112.3(3) . . . . ?
 B11 B6 B7 B1 -137.3(3) . . . . ?
 B11 B6 B7 B2 -100.5(3) . . . . ?
 B11 B6 B7 B8 -37.3(2) . . . . ?
 B11 B6 B10 Cl10 -111.5(3) . . . . ?
 B11 B6 B10 B4 100.4(3) . . . . ?
 B11 B6 B10 B5 138.3(3) . . . . ?
 B11 B6 B10 B9 37.1(2) . . . . ?
 B11 B7 B8 Cl8 111.5(3) . . . . ?
 B11 B7 B8 B2 -138.2(2) . . . . ?
 B11 B7 B8 B3 -100.5(3) . . . . ?
 B11 B7 B8 B9 -37.2(2) . . . . ?
 B11 B8 B9 Cl9 112.0(3) . . . . ?
 B11 B8 B9 B3 -138.2(3) . . . . ?
 B11 B8 B9 B4 -100.4(3) . . . . ?
 B11 B8 B9 B10 -37.6(2) . . . . ?
 B11 B9 B10 Cl10 112.3(3) . . . . ?
 B11 B9 B10 B4 -138.1(3) . . . . ?
 B11 B9 B10 B5 -100.5(3) . . . . ?
 B11 B9 B10 B6 -37.0(2) . . . . ?

_olex2_submission_special_instructions  'No special instructions were received'
