#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:43:41 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179761 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/57/7005797.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7005797
loop_
_publ_author_name
'Liu, Shuang'
'Wang, Jian-Qiang'
'Weng, Lin-Hong'
'Jin, Guo-Xin'
_publ_section_title
;
 Construction of trinuclear iridium clusters through ancillary
 ortho-carborane-1,2-diselenolato ligands, with simultaneous
 iridium-induced B-H activation.
;
_journal_issue                   34
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3792
_journal_page_last               3797
_journal_paper_doi               10.1039/b705366e
_journal_year                    2007
_chemical_formula_sum            'C41 H77 B30 Ir3 O Se6'
_chemical_formula_weight         1960.69
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                96.226(4)
_cell_angle_beta                 107.169(4)
_cell_angle_gamma                100.926(4)
_cell_formula_units_Z            2
_cell_length_a                   13.067(3)
_cell_length_b                   13.950(4)
_cell_length_c                   20.077(5)
_cell_measurement_reflns_used    830
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      22.653
_cell_measurement_theta_min      2.264
_cell_volume                     3380.1(15)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0305
_diffrn_reflns_av_sigmaI/netI    0.0717
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            14364
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.08
_diffrn_standards_decay_%        5.81
_exptl_absorpt_coefficient_mu    9.154
_exptl_absorpt_correction_T_max  0.6575
_exptl_absorpt_correction_T_min  0.4613
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    1.926
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1832
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.282
_refine_diff_density_min         -0.801
_refine_diff_density_rms         0.156
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     703
_refine_ls_number_reflns         11786
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0649
_refine_ls_R_factor_gt           0.0401
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0317P)²+0.7974P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0844
_refine_ls_wR_factor_ref         0.0941
_reflns_number_gt                8538
_reflns_number_total             11786
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b705366e.txt
_cod_data_source_block           f40907c
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        3380.1(16)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7005797
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ir1 Ir 0.75333(3) 1.02137(3) 0.218786(17) 0.03470(10) Uani 1 1 d . . .
Ir2 Ir 0.55059(3) 0.85606(2) 0.239979(16) 0.02912(9) Uani 1 1 d . . .
Ir3 Ir 0.40764(3) 0.61910(2) 0.273566(17) 0.03298(10) Uani 1 1 d . . .
Se1 Se 0.63055(7) 1.03482(6) 0.29158(4) 0.0340(2) Uani 1 1 d . . .
Se2 Se 0.57671(7) 0.92570(6) 0.13223(4) 0.0334(2) Uani 1 1 d . . .
Se3 Se 0.49193(7) 0.68235(6) 0.18555(4) 0.0337(2) Uani 1 1 d . . .
Se4 Se 0.75521(7) 0.86201(6) 0.26742(4) 0.0357(2) Uani 1 1 d . . .
Se5 Se 0.46548(7) 0.79775(6) 0.32500(4) 0.0320(2) Uani 1 1 d . . .
Se6 Se 0.56008(8) 0.58527(7) 0.36767(5) 0.0451(2) Uani 1 1 d . . .
B3 B 0.4175(8) 0.9225(8) 0.2042(5) 0.037(2) Uani 1 1 d . . .
B4 B 0.3855(9) 1.0195(8) 0.2561(6) 0.042(3) Uani 1 1 d . . .
H4 H 0.3921 1.0145 0.3114 0.051 Uiso 1 1 calc R . .
B5 B 0.4215(9) 1.1377(8) 0.2327(6) 0.046(3) Uani 1 1 d . . .
H5 H 0.4502 1.2069 0.2717 0.056 Uiso 1 1 calc R . .
B6 B 0.4770(8) 1.1185(8) 0.1617(5) 0.036(2) Uani 1 1 d . . .
H6 H 0.5427 1.1748 0.1549 0.043 Uiso 1 1 calc R . .
B7 B 0.3358(8) 0.9201(9) 0.1138(6) 0.045(3) Uani 1 1 d . . .
H7 H 0.3099 0.8507 0.0753 0.054 Uiso 1 1 calc R . .
B8 B 0.2821(9) 0.9383(9) 0.1838(6) 0.049(3) Uani 1 1 d . . .
H8 H 0.2184 0.8801 0.1909 0.059 Uiso 1 1 calc R . .
B9 B 0.2822(9) 1.0677(9) 0.2018(6) 0.050(3) Uani 1 1 d . . .
H9 H 0.2187 1.0924 0.2204 0.060 Uiso 1 1 calc R . .
B10 B 0.3392(10) 1.1293(9) 0.1435(6) 0.057(3) Uani 1 1 d . . .
H10 H 0.3131 1.1946 0.1245 0.068 Uiso 1 1 calc R . .
B11 B 0.3721(8) 1.0384(8) 0.0879(6) 0.045(3) Uani 1 1 d . . .
H11 H 0.3691 1.0438 0.0331 0.054 Uiso 1 1 calc R . .
B12 B 0.2525(9) 1.0073(9) 0.1129(6) 0.050(3) Uani 1 1 d . . .
H12 H 0.1698 0.9937 0.0738 0.060 Uiso 1 1 calc R . .
B13 B 0.7381(9) 0.6458(8) 0.2605(6) 0.044(3) Uani 1 1 d . . .
H13 H 0.7339 0.6595 0.3145 0.053 Uiso 1 1 calc R . .
B14 B 0.6609(11) 0.5375(9) 0.1992(6) 0.059(3) Uani 1 1 d . . .
H14 H 0.6056 0.4793 0.2134 0.071 Uiso 1 1 calc R . .
B15 B 0.6269(10) 0.5681(8) 0.1134(6) 0.050(3) Uani 1 1 d . . .
H15 H 0.5489 0.5297 0.0721 0.060 Uiso 1 1 calc R . .
B16 B 0.6844(9) 0.6980(9) 0.1183(6) 0.048(3) Uani 1 1 d . . .
B17 B 0.8617(10) 0.6875(10) 0.2416(7) 0.059(3) Uani 1 1 d . . .
H17 H 0.9381 0.7274 0.2837 0.071 Uiso 1 1 calc R . .
B18 B 0.8059(10) 0.5576(9) 0.2341(7) 0.054(3) Uani 1 1 d . . .
H18 H 0.8457 0.5122 0.2706 0.065 Uiso 1 1 calc R . .
B19 B 0.7383(11) 0.5102(9) 0.1426(7) 0.062(4) Uani 1 1 d . . .
H19 H 0.7352 0.4339 0.1199 0.075 Uiso 1 1 calc R . .
B20 B 0.7488(10) 0.6081(9) 0.0941(7) 0.060(3) Uani 1 1 d . . .
H20 H 0.7511 0.5941 0.0397 0.072 Uiso 1 1 calc R . .
B21 B 0.8286(10) 0.7190(9) 0.1558(7) 0.056(3) Uani 1 1 d . . .
H21 H 0.8839 0.7787 0.1430 0.067 Uiso 1 1 calc R . .
B22 B 0.8604(11) 0.6041(9) 0.1694(7) 0.068(4) Uani 1 1 d . . .
H22 H 0.9375 0.5888 0.1641 0.082 Uiso 1 1 calc R . .
B23 B 0.6996(9) 0.7992(9) 0.4337(6) 0.051(3) Uani 1 1 d . . .
H23 H 0.7377 0.7982 0.3916 0.061 Uiso 1 1 calc R . .
B24 B 0.6654(10) 0.9056(9) 0.4669(5) 0.052(3) Uani 1 1 d . . .
H24 H 0.6829 0.9750 0.4468 0.063 Uiso 1 1 calc R . .
B25 B 0.5450(10) 0.8700(9) 0.4890(6) 0.051(3) Uani 1 1 d . . .
H25 H 0.4837 0.9154 0.4828 0.061 Uiso 1 1 calc R . .
B26 B 0.5065(10) 0.7395(9) 0.4717(5) 0.049(3) Uani 1 1 d . . .
H26 H 0.4194 0.6997 0.4541 0.059 Uiso 1 1 calc R . .
B27 B 0.7325(11) 0.7283(10) 0.5042(6) 0.064(4) Uani 1 1 d . . .
H27 H 0.7926 0.6818 0.5089 0.077 Uiso 1 1 calc R . .
B28 B 0.7711(11) 0.8618(10) 0.5215(6) 0.065(4) Uani 1 1 d . . .
H28 H 0.8579 0.9022 0.5377 0.078 Uiso 1 1 calc R . .
B29 B 0.6741(11) 0.9054(9) 0.5565(6) 0.062(4) Uani 1 1 d . . .
H29 H 0.6972 0.9740 0.5956 0.074 Uiso 1 1 calc R . .
B30 B 0.5768(12) 0.8008(10) 0.5593(6) 0.067(4) Uani 1 1 d . . .
H30 H 0.5369 0.8011 0.6005 0.081 Uiso 1 1 calc R . .
B31 B 0.6101(10) 0.6930(10) 0.5262(6) 0.057(3) Uani 1 1 d . . .
H31 H 0.5908 0.6226 0.5448 0.068 Uiso 1 1 calc R . .
B32 B 0.7152(11) 0.7962(10) 0.5784(6) 0.068(4) Uani 1 1 d . . .
H32 H 0.7664 0.7942 0.6324 0.081 Uiso 1 1 calc R . .
O1 O 0.6314(6) 0.7581(5) 0.0787(3) 0.0557(18) Uani 1 1 d . . .
C1 C 0.4917(7) 1.0491(6) 0.2261(4) 0.033(2) Uani 1 1 d . . .
C2 C 0.4641(7) 0.9950(6) 0.1470(4) 0.033(2) Uani 1 1 d . . .
C3 C 0.6337(7) 0.6482(7) 0.1849(5) 0.040(2) Uani 1 1 d . . .
C4 C 0.7497(7) 0.7374(6) 0.2091(5) 0.038(2) Uani 1 1 d . . .
C5 C 0.5674(7) 0.8039(6) 0.4212(4) 0.039(2) Uani 1 1 d . . .
C6 C 0.6045(7) 0.7008(6) 0.4413(4) 0.041(2) Uani 1 1 d . . .
C7 C 0.5623(12) 0.7274(10) 0.0079(5) 0.108(5) Uani 1 1 d . . .
H7A H 0.5344 0.7821 -0.0093 0.162 Uiso 1 1 calc R . .
H7B H 0.5019 0.6742 0.0053 0.162 Uiso 1 1 calc R . .
H7C H 0.6035 0.7051 -0.0207 0.162 Uiso 1 1 calc R . .
C8 C 0.9317(7) 1.0603(7) 0.2380(5) 0.049(2) Uani 1 1 d . . .
C9 C 0.8745(8) 1.0578(7) 0.1651(5) 0.052(3) Uani 1 1 d . . .
C10 C 0.8106(8) 1.1325(7) 0.1607(5) 0.051(3) Uani 1 1 d . . .
C11 C 0.8288(8) 1.1798(6) 0.2311(5) 0.044(2) Uani 1 1 d . . .
C12 C 0.9022(8) 1.1350(7) 0.2790(5) 0.048(2) Uani 1 1 d . . .
C13 C 1.0110(7) 1.0006(9) 0.2676(6) 0.072(4) Uani 1 1 d . . .
H13A H 0.9973 0.9410 0.2343 0.108 Uiso 1 1 calc R . .
H13B H 1.0025 0.9838 0.3110 0.108 Uiso 1 1 calc R . .
H13C H 1.0847 1.0384 0.2765 0.108 Uiso 1 1 calc R . .
C14 C 0.8878(9) 0.9963(8) 0.1024(5) 0.070(3) Uani 1 1 d . . .
H14A H 0.9207 1.0394 0.0764 0.105 Uiso 1 1 calc R . .
H14B H 0.8169 0.9582 0.0721 0.105 Uiso 1 1 calc R . .
H14C H 0.9343 0.9524 0.1191 0.105 Uiso 1 1 calc R . .
C15 C 0.7468(8) 1.1602(8) 0.0931(5) 0.065(3) Uani 1 1 d . . .
H15A H 0.6922 1.1928 0.1015 0.097 Uiso 1 1 calc R . .
H15B H 0.7113 1.1015 0.0580 0.097 Uiso 1 1 calc R . .
H15C H 0.7961 1.2042 0.0766 0.097 Uiso 1 1 calc R . .
C16 C 0.7882(9) 1.2679(7) 0.2517(6) 0.066(3) Uani 1 1 d . . .
H16A H 0.8488 1.3250 0.2695 0.099 Uiso 1 1 calc R . .
H16B H 0.7554 1.2557 0.2879 0.099 Uiso 1 1 calc R . .
H16C H 0.7342 1.2797 0.2111 0.099 Uiso 1 1 calc R . .
C17 C 0.9474(9) 1.1681(9) 0.3572(5) 0.074(3) Uani 1 1 d . . .
H17A H 1.0115 1.2215 0.3686 0.112 Uiso 1 1 calc R . .
H17B H 0.9672 1.1137 0.3795 0.112 Uiso 1 1 calc R . .
H17C H 0.8927 1.1903 0.3738 0.112 Uiso 1 1 calc R . .
C18 C 0.2900(7) 0.4993(7) 0.1919(5) 0.047(2) Uani 1 1 d . . .
C19 C 0.2416(7) 0.5844(7) 0.1964(5) 0.046(2) Uani 1 1 d . . .
C20 C 0.2326(7) 0.6016(7) 0.2654(5) 0.043(2) Uani 1 1 d . . .
C21 C 0.2758(8) 0.5296(7) 0.3031(5) 0.048(2) Uani 1 1 d . . .
C22 C 0.3110(7) 0.4661(7) 0.2582(5) 0.044(2) Uani 1 1 d . . .
C23 C 0.3060(9) 0.4490(8) 0.1279(5) 0.069(3) Uani 1 1 d . . .
H23A H 0.3721 0.4251 0.1415 0.104 Uiso 1 1 calc R . .
H23B H 0.3122 0.4952 0.0963 0.104 Uiso 1 1 calc R . .
H23C H 0.2442 0.3943 0.1044 0.104 Uiso 1 1 calc R . .
C24 C 0.1964(9) 0.6333(9) 0.1358(5) 0.073(3) Uani 1 1 d . . .
H24A H 0.1199 0.6020 0.1127 0.110 Uiso 1 1 calc R . .
H24B H 0.2360 0.6273 0.1028 0.110 Uiso 1 1 calc R . .
H24C H 0.2040 0.7022 0.1527 0.110 Uiso 1 1 calc R . .
C25 C 0.1821(8) 0.6777(8) 0.2919(6) 0.067(3) Uani 1 1 d . . .
H25A H 0.1722 0.7242 0.2600 0.100 Uiso 1 1 calc R . .
H25B H 0.2295 0.7120 0.3380 0.100 Uiso 1 1 calc R . .
H25C H 0.1120 0.6463 0.2948 0.100 Uiso 1 1 calc R . .
C26 C 0.2724(9) 0.5136(8) 0.3769(5) 0.067(3) Uani 1 1 d . . .
H26A H 0.2548 0.5698 0.3993 0.100 Uiso 1 1 calc R . .
H26B H 0.3430 0.5062 0.4050 0.100 Uiso 1 1 calc R . .
H26C H 0.2173 0.4549 0.3725 0.100 Uiso 1 1 calc R . .
C27 C 0.3570(9) 0.3777(7) 0.2772(6) 0.064(3) Uani 1 1 d . . .
H27A H 0.2981 0.3192 0.2629 0.096 Uiso 1 1 calc R . .
H27B H 0.3925 0.3878 0.3275 0.096 Uiso 1 1 calc R . .
H27C H 0.4095 0.3700 0.2535 0.096 Uiso 1 1 calc R . .
C28 C 0.0709(8) 0.2419(8) 0.1315(7) 0.068(3) Uani 1 1 d . . .
H28A H 0.1044 0.1899 0.1423 0.082 Uiso 1 1 calc R . .
C29 C 0.0529(12) 0.3070(12) 0.1871(8) 0.105(5) Uiso 1 1 d . . .
H29A H 0.0767 0.2990 0.2342 0.126 Uiso 1 1 calc R . .
C30 C 0.0011(12) 0.3783(11) 0.1677(8) 0.101(5) Uiso 1 1 d . . .
H30A H -0.0157 0.4198 0.2003 0.122 Uiso 1 1 calc R . .
C31 C -0.0254(13) 0.3876(13) 0.1003(9) 0.124(6) Uiso 1 1 d . . .
H31A H -0.0577 0.4404 0.0896 0.148 Uiso 1 1 calc R . .
C32 C -0.0136(13) 0.3344(13) 0.0454(9) 0.117(5) Uiso 1 1 d . . .
H32A H -0.0377 0.3466 -0.0007 0.141 Uiso 1 1 calc R . .
C33 C 0.0380(10) 0.2587(10) 0.0635(7) 0.078(4) Uiso 1 1 d . . .
C34 C 0.0552(14) 0.1962(14) 0.0051(9) 0.147(7) Uiso 1 1 d . . .
H34A H 0.0919 0.1467 0.0236 0.221 Uiso 1 1 calc R . .
H34B H 0.0996 0.2369 -0.0164 0.221 Uiso 1 1 calc R . .
H34C H -0.0148 0.1646 -0.0296 0.221 Uiso 1 1 calc R . .
C35 C 0.7628(16) 0.2327(15) 0.4811(9) 0.134(6) Uiso 1 1 d . . .
H35A H 0.6899 0.1973 0.4613 0.161 Uiso 1 1 calc R . .
C36 C 0.8399(18) 0.1905(16) 0.5214(10) 0.147(7) Uiso 1 1 d . . .
H36A H 0.8122 0.1272 0.5284 0.177 Uiso 1 1 calc R . .
C37 C 0.946(2) 0.224(2) 0.5517(13) 0.200(10) Uiso 1 1 d . . .
H37A H 0.9971 0.1913 0.5760 0.240 Uiso 1 1 calc R . .
C38 C 0.964(2) 0.322(2) 0.5386(12) 0.187(9) Uiso 1 1 d . . .
H38A H 1.0381 0.3552 0.5586 0.224 Uiso 1 1 calc R . .
C39 C 0.904(2) 0.3806(19) 0.5055(12) 0.192(10) Uiso 1 1 d . . .
H39A H 0.9298 0.4472 0.5045 0.230 Uiso 1 1 calc R . .
C40 C 0.792(2) 0.322(2) 0.4709(14) 0.184(9) Uiso 1 1 d . . .
C41 C 0.737(2) 0.376(2) 0.4343(13) 0.241(13) Uiso 1 1 d . . .
H41A H 0.6628 0.3390 0.4111 0.361 Uiso 1 1 calc R . .
H41B H 0.7703 0.3951 0.3995 0.361 Uiso 1 1 calc R . .
H41C H 0.7379 0.4340 0.4649 0.361 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 '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 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ir Ir -1.4442 7.9887 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
C9 Ir1 C12 64.0(3) . . ?
C9 Ir1 C10 38.7(4) . . ?
C12 Ir1 C10 63.9(3) . . ?
C9 Ir1 C8 38.1(4) . . ?
C12 Ir1 C8 38.3(3) . . ?
C10 Ir1 C8 64.2(4) . . ?
C9 Ir1 C11 64.0(3) . . ?
C12 Ir1 C11 38.1(3) . . ?
C10 Ir1 C11 37.9(3) . . ?
C8 Ir1 C11 63.9(4) . . ?
C9 Ir1 Se2 109.8(3) . . ?
C12 Ir1 Se2 165.5(3) . . ?
C10 Ir1 Se2 102.7(3) . . ?
C8 Ir1 Se2 143.1(3) . . ?
C11 Ir1 Se2 127.6(3) . . ?
C9 Ir1 Se1 162.7(3) . . ?
C12 Ir1 Se1 102.6(2) . . ?
C10 Ir1 Se1 126.9(3) . . ?
C8 Ir1 Se1 135.7(3) . . ?
C11 Ir1 Se1 98.8(2) . . ?
Se2 Ir1 Se1 80.54(4) . . ?
C9 Ir1 Se4 114.0(3) . . ?
C12 Ir1 Se4 110.5(3) . . ?
C10 Ir1 Se4 152.7(3) . . ?
C8 Ir1 Se4 94.5(3) . . ?
C11 Ir1 Se4 148.0(3) . . ?
Se2 Ir1 Se4 84.03(3) . . ?
Se1 Ir1 Se4 80.11(3) . . ?
B3 Ir2 Se3 108.2(3) . . ?
B3 Ir2 Se5 86.8(3) . . ?
Se3 Ir2 Se5 83.08(3) . . ?
B3 Ir2 Se1 76.4(3) . . ?
Se3 Ir2 Se1 173.23(3) . . ?
Se5 Ir2 Se1 102.35(3) . . ?
B3 Ir2 Se4 149.4(3) . . ?
Se3 Ir2 Se4 94.37(3) . . ?
Se5 Ir2 Se4 116.95(3) . . ?
Se1 Ir2 Se4 79.60(3) . . ?
B3 Ir2 Se2 75.1(3) . . ?
Se3 Ir2 Se2 97.30(3) . . ?
Se5 Ir2 Se2 161.12(3) . . ?
Se1 Ir2 Se2 78.90(3) . . ?
Se4 Ir2 Se2 81.90(3) . . ?
C18 Ir3 C19 38.7(4) . . ?
C18 Ir3 C21 63.1(3) . . ?
C19 Ir3 C21 63.3(3) . . ?
C18 Ir3 C22 37.9(3) . . ?
C19 Ir3 C22 64.1(3) . . ?
C21 Ir3 C22 37.9(3) . . ?
C18 Ir3 C20 63.7(3) . . ?
C19 Ir3 C20 37.8(3) . . ?
C21 Ir3 C20 37.7(3) . . ?
C22 Ir3 C20 63.6(3) . . ?
C18 Ir3 Se6 121.2(3) . . ?
C19 Ir3 Se6 154.8(2) . . ?
C21 Ir3 Se6 95.4(3) . . ?
C22 Ir3 Se6 91.0(2) . . ?
C20 Ir3 Se6 129.3(2) . . ?
C18 Ir3 Se5 148.0(3) . . ?
C19 Ir3 Se5 110.2(3) . . ?
C21 Ir3 Se5 116.6(3) . . ?
C22 Ir3 Se5 154.5(2) . . ?
C20 Ir3 Se5 96.1(2) . . ?
Se6 Ir3 Se5 90.75(3) . . ?
C18 Ir3 Se3 91.0(2) . . ?
C19 Ir3 Se3 92.0(2) . . ?
C21 Ir3 Se3 153.0(3) . . ?
C22 Ir3 Se3 123.2(2) . . ?
C20 Ir3 Se3 125.3(2) . . ?
Se6 Ir3 Se3 105.46(4) . . ?
Se5 Ir3 Se3 80.70(3) . . ?
C1 Se1 Ir1 105.6(2) . . ?
C1 Se1 Ir2 82.4(2) . . ?
Ir1 Se1 Ir2 83.97(3) . . ?
C2 Se2 Ir1 105.6(2) . . ?
C2 Se2 Ir2 81.3(2) . . ?
Ir1 Se2 Ir2 83.09(3) . . ?
C3 Se3 Ir2 102.7(3) . . ?
C3 Se3 Ir3 117.5(3) . . ?
Ir2 Se3 Ir3 97.80(3) . . ?
C4 Se4 Ir1 122.0(2) . . ?
C4 Se4 Ir2 101.0(2) . . ?
Ir1 Se4 Ir2 82.01(3) . . ?
C5 Se5 Ir2 115.8(3) . . ?
C5 Se5 Ir3 104.3(3) . . ?
Ir2 Se5 Ir3 98.39(3) . . ?
C6 Se6 Ir3 104.4(3) . . ?
B8 B3 C2 99.7(7) . . ?
B8 B3 C1 100.0(7) . . ?
C2 B3 C1 53.0(4) . . ?
B8 B3 B4 59.5(6) . . ?
C2 B3 B4 97.8(7) . . ?
C1 B3 B4 55.5(5) . . ?
B8 B3 B7 59.3(6) . . ?
C2 B3 B7 56.5(5) . . ?
C1 B3 B7 99.3(6) . . ?
B4 B3 B7 105.0(7) . . ?
B8 B3 Ir2 158.3(7) . . ?
C2 B3 Ir2 100.3(5) . . ?
C1 B3 Ir2 98.7(5) . . ?
B4 B3 Ir2 125.4(6) . . ?
B7 B3 Ir2 127.8(7) . . ?
C1 B4 B9 104.1(7) . . ?
C1 B4 B8 104.2(7) . . ?
B9 B4 B8 61.5(6) . . ?
C1 B4 B5 58.6(5) . . ?
B9 B4 B5 60.5(6) . . ?
B8 B4 B5 110.2(8) . . ?
C1 B4 B3 61.7(5) . . ?
B9 B4 B3 110.3(8) . . ?
B8 B4 B3 58.9(6) . . ?
B5 B4 B3 112.7(7) . . ?
C1 B5 B10 102.2(7) . . ?
C1 B5 B4 57.5(5) . . ?
B10 B5 B4 106.6(8) . . ?
C1 B5 B9 102.2(8) . . ?
B10 B5 B9 59.9(6) . . ?
B4 B5 B9 59.2(6) . . ?
C1 B5 B6 57.7(5) . . ?
B10 B5 B6 59.3(6) . . ?
B4 B5 B6 106.4(7) . . ?
B9 B5 B6 107.0(8) . . ?
C2 B6 C1 56.3(5) . . ?
C2 B6 B10 103.0(7) . . ?
C1 B6 B10 102.6(7) . . ?
C2 B6 B11 57.7(5) . . ?
C1 B6 B11 103.5(7) . . ?
B10 B6 B11 60.7(6) . . ?
C2 B6 B5 103.5(7) . . ?
C1 B6 B5 57.9(5) . . ?
B10 B6 B5 59.6(6) . . ?
B11 B6 B5 108.7(7) . . ?
C2 B7 B8 102.6(8) . . ?
C2 B7 B12 101.5(8) . . ?
B8 B7 B12 60.9(6) . . ?
C2 B7 B11 57.1(5) . . ?
B8 B7 B11 108.2(8) . . ?
B12 B7 B11 59.3(6) . . ?
C2 B7 B3 60.8(5) . . ?
B8 B7 B3 59.0(6) . . ?
B12 B7 B3 109.0(8) . . ?
B11 B7 B3 110.3(8) . . ?
B3 B8 B7 61.8(6) . . ?
B3 B8 B4 61.6(6) . . ?
B7 B8 B4 108.6(7) . . ?
B3 B8 B12 110.5(7) . . ?
B7 B8 B12 60.0(6) . . ?
B4 B8 B12 106.6(8) . . ?
B3 B8 B9 110.6(8) . . ?
B7 B8 B9 108.3(8) . . ?
B4 B8 B9 59.0(6) . . ?
B12 B8 B9 59.6(6) . . ?
B4 B9 B10 107.4(8) . . ?
B4 B9 B5 60.3(6) . . ?
B10 B9 B5 59.8(6) . . ?
B4 B9 B12 107.2(8) . . ?
B10 B9 B12 60.2(6) . . ?
B5 B9 B12 108.3(8) . . ?
B4 B9 B8 59.5(6) . . ?
B10 B9 B8 108.0(8) . . ?
B5 B9 B8 108.4(7) . . ?
B12 B9 B8 59.9(6) . . ?
B6 B10 B5 61.0(6) . . ?
B6 B10 B9 108.6(8) . . ?
B5 B10 B9 60.3(6) . . ?
B6 B10 B12 107.6(8) . . ?
B5 B10 B12 108.7(8) . . ?
B9 B10 B12 60.2(7) . . ?
B6 B10 B11 60.1(6) . . ?
B5 B10 B11 109.3(7) . . ?
B9 B10 B11 108.0(8) . . ?
B12 B10 B11 59.3(6) . . ?
C2 B11 B12 102.5(7) . . ?
C2 B11 B6 58.1(5) . . ?
B12 B11 B6 107.5(8) . . ?
C2 B11 B10 102.2(7) . . ?
B12 B11 B10 60.1(6) . . ?
B6 B11 B10 59.2(6) . . ?
C2 B11 B7 58.2(5) . . ?
B12 B11 B7 59.6(6) . . ?
B6 B11 B7 108.0(7) . . ?
B10 B11 B7 107.6(8) . . ?
B11 B12 B7 61.1(6) . . ?
B11 B12 B10 60.6(6) . . ?
B7 B12 B10 109.2(8) . . ?
B11 B12 B9 108.6(8) . . ?
B7 B12 B9 108.3(8) . . ?
B10 B12 B9 59.6(7) . . ?
B11 B12 B8 108.2(7) . . ?
B7 B12 B8 59.2(6) . . ?
B10 B12 B8 108.0(8) . . ?
B9 B12 B8 60.5(6) . . ?
C3 B13 C4 57.9(5) . . ?
C3 B13 B14 57.8(6) . . ?
C4 B13 B14 104.8(8) . . ?
C3 B13 B18 105.0(8) . . ?
C4 B13 B18 105.9(8) . . ?
B14 B13 B18 60.2(7) . . ?
C3 B13 B17 105.2(8) . . ?
C4 B13 B17 58.8(6) . . ?
B14 B13 B17 108.3(8) . . ?
B18 B13 B17 60.8(6) . . ?
C3 B14 B13 59.9(6) . . ?
C3 B14 B18 106.6(9) . . ?
B13 B14 B18 60.1(7) . . ?
C3 B14 B15 58.6(6) . . ?
B13 B14 B15 108.3(8) . . ?
B18 B14 B15 108.3(9) . . ?
C3 B14 B19 105.4(8) . . ?
B13 B14 B19 107.8(9) . . ?
B18 B14 B19 59.9(7) . . ?
B15 B14 B19 60.0(6) . . ?
C3 B15 B20 106.5(8) . . ?
C3 B15 B14 58.2(6) . . ?
B20 B15 B14 108.7(9) . . ?
C3 B15 B19 105.4(8) . . ?
B20 B15 B19 60.1(7) . . ?
B14 B15 B19 60.4(7) . . ?
C3 B15 B16 62.1(6) . . ?
B20 B15 B16 58.5(6) . . ?
B14 B15 B16 110.0(8) . . ?
B19 B15 B16 107.7(9) . . ?
O1 B16 B20 129.7(9) . . ?
O1 B16 C4 120.0(8) . . ?
B20 B16 C4 105.2(8) . . ?
O1 B16 B21 124.7(9) . . ?
B20 B16 B21 61.7(7) . . ?
C4 B16 B21 58.8(6) . . ?
O1 B16 B15 124.2(9) . . ?
B20 B16 B15 59.2(7) . . ?
C4 B16 B15 102.0(8) . . ?
B21 B16 B15 107.6(8) . . ?
O1 B16 C3 120.1(8) . . ?
B20 B16 C3 102.2(8) . . ?
C4 B16 C3 56.2(5) . . ?
B21 B16 C3 103.5(8) . . ?
B15 B16 C3 55.8(5) . . ?
C4 B17 B22 104.6(9) . . ?
C4 B17 B13 59.6(6) . . ?
B22 B17 B13 107.6(10) . . ?
C4 B17 B21 59.0(6) . . ?
B22 B17 B21 59.9(7) . . ?
B13 B17 B21 109.0(9) . . ?
C4 B17 B18 105.5(8) . . ?
B22 B17 B18 60.3(7) . . ?
B13 B17 B18 59.5(7) . . ?
B21 B17 B18 108.9(9) . . ?
B13 B18 B14 59.7(6) . . ?
B13 B18 B19 107.9(8) . . ?
B14 B18 B19 60.5(7) . . ?
B13 B18 B22 106.5(8) . . ?
B14 B18 B22 107.0(9) . . ?
B19 B18 B22 59.4(7) . . ?
B13 B18 B17 59.7(6) . . ?
B14 B18 B17 107.1(8) . . ?
B19 B18 B17 106.8(9) . . ?
B22 B18 B17 58.7(7) . . ?
B22 B19 B20 60.5(8) . . ?
B22 B19 B18 60.5(7) . . ?
B20 B19 B18 109.2(9) . . ?
B22 B19 B15 107.1(9) . . ?
B20 B19 B15 59.3(7) . . ?
B18 B19 B15 107.7(8) . . ?
B22 B19 B14 107.2(8) . . ?
B20 B19 B14 107.3(8) . . ?
B18 B19 B14 59.6(7) . . ?
B15 B19 B14 59.6(6) . . ?
B16 B20 B15 62.3(6) . . ?
B16 B20 B19 111.1(8) . . ?
B15 B20 B19 60.6(7) . . ?
B16 B20 B22 108.0(8) . . ?
B15 B20 B22 107.5(9) . . ?
B19 B20 B22 59.5(7) . . ?
B16 B20 B21 59.8(6) . . ?
B15 B20 B21 108.4(8) . . ?
B19 B20 B21 107.8(9) . . ?
B22 B20 B21 59.0(7) . . ?
C4 B21 B22 104.4(8) . . ?
C4 B21 B16 60.1(6) . . ?
B22 B21 B16 107.8(9) . . ?
C4 B21 B17 59.1(6) . . ?
B22 B21 B17 59.5(7) . . ?
B16 B21 B17 109.5(8) . . ?
C4 B21 B20 103.7(8) . . ?
B22 B21 B20 60.0(7) . . ?
B16 B21 B20 58.5(7) . . ?
B17 B21 B20 107.3(9) . . ?
B17 B22 B21 60.6(7) . . ?
B17 B22 B19 109.1(9) . . ?
B21 B22 B19 109.7(9) . . ?
B17 B22 B20 109.0(8) . . ?
B21 B22 B20 61.0(7) . . ?
B19 B22 B20 60.0(7) . . ?
B17 B22 B18 60.9(7) . . ?
B21 B22 B18 110.0(8) . . ?
B19 B22 B18 60.1(7) . . ?
B20 B22 B18 108.5(9) . . ?
C5 B23 C6 58.1(5) . . ?
C5 B23 B24 58.6(6) . . ?
C6 B23 B24 105.5(8) . . ?
C5 B23 B28 104.5(8) . . ?
C6 B23 B28 105.0(8) . . ?
B24 B23 B28 59.6(7) . . ?
C5 B23 B27 104.7(8) . . ?
C6 B23 B27 58.1(6) . . ?
B24 B23 B27 107.9(8) . . ?
B28 B23 B27 60.4(7) . . ?
C5 B24 B28 105.5(8) . . ?
C5 B24 B23 58.8(6) . . ?
B28 B24 B23 60.8(7) . . ?
C5 B24 B25 58.8(6) . . ?
B28 B24 B25 109.4(8) . . ?
B23 B24 B25 108.9(8) . . ?
C5 B24 B29 105.1(8) . . ?
B28 B24 B29 61.1(7) . . ?
B23 B24 B29 109.6(8) . . ?
B25 B24 B29 60.1(7) . . ?
C5 B25 B24 58.4(6) . . ?
C5 B25 B26 58.8(6) . . ?
B24 B25 B26 107.4(8) . . ?
C5 B25 B29 105.0(8) . . ?
B24 B25 B29 60.3(7) . . ?
B26 B25 B29 107.4(9) . . ?
C5 B25 B30 104.1(8) . . ?
B24 B25 B30 107.1(9) . . ?
B26 B25 B30 59.3(7) . . ?
B29 B25 B30 59.5(7) . . ?
C5 B26 C6 58.0(5) . . ?
C5 B26 B31 105.2(8) . . ?
C6 B26 B31 58.7(6) . . ?
C5 B26 B30 105.2(9) . . ?
C6 B26 B30 105.5(9) . . ?
B31 B26 B30 60.2(7) . . ?
C5 B26 B25 58.5(6) . . ?
C6 B26 B25 106.1(8) . . ?
B31 B26 B25 109.3(9) . . ?
B30 B26 B25 61.1(7) . . ?
C6 B27 B32 104.0(9) . . ?
C6 B27 B31 58.2(6) . . ?
B32 B27 B31 59.8(7) . . ?
C6 B27 B28 103.9(8) . . ?
B32 B27 B28 59.5(7) . . ?
B31 B27 B28 106.9(10) . . ?
C6 B27 B23 58.4(6) . . ?
B32 B27 B23 105.8(10) . . ?
B31 B27 B23 106.3(9) . . ?
B28 B27 B23 58.6(7) . . ?
B24 B28 B23 59.7(6) . . ?
B24 B28 B32 107.1(9) . . ?
B23 B28 B32 107.6(9) . . ?
B24 B28 B29 60.0(7) . . ?
B23 B28 B29 107.9(9) . . ?
B32 B28 B29 59.5(7) . . ?
B24 B28 B27 108.4(8) . . ?
B23 B28 B27 60.9(7) . . ?
B32 B28 B27 59.5(7) . . ?
B29 B28 B27 107.9(9) . . ?
B30 B29 B25 60.9(7) . . ?
B30 B29 B32 59.4(7) . . ?
B25 B29 B32 107.8(8) . . ?
B30 B29 B24 107.7(8) . . ?
B25 B29 B24 59.6(6) . . ?
B32 B29 B24 106.5(9) . . ?
B30 B29 B28 107.5(9) . . ?
B25 B29 B28 107.2(8) . . ?
B32 B29 B28 59.8(7) . . ?
B24 B29 B28 58.9(7) . . ?
B32 B30 B26 107.7(9) . . ?
B32 B30 B31 60.6(8) . . ?
B26 B30 B31 59.7(7) . . ?
B32 B30 B29 60.4(8) . . ?
B26 B30 B29 107.7(8) . . ?
B31 B30 B29 109.0(10) . . ?
B32 B30 B25 107.5(9) . . ?
B26 B30 B25 59.5(6) . . ?
B31 B30 B25 107.7(8) . . ?
B29 B30 B25 59.6(7) . . ?
C6 B31 B26 59.7(6) . . ?
C6 B31 B30 106.3(8) . . ?
B26 B31 B30 60.1(7) . . ?
C6 B31 B32 104.9(8) . . ?
B26 B31 B32 107.1(9) . . ?
B30 B31 B32 59.4(8) . . ?
C6 B31 B27 59.1(6) . . ?
B26 B31 B27 108.8(8) . . ?
B30 B31 B27 108.6(10) . . ?
B32 B31 B27 60.0(7) . . ?
B30 B32 B29 60.2(8) . . ?
B30 B32 B31 60.0(7) . . ?
B29 B32 B31 108.4(9) . . ?
B30 B32 B27 109.3(9) . . ?
B29 B32 B27 110.1(9) . . ?
B31 B32 B27 60.2(7) . . ?
B30 B32 B28 108.8(9) . . ?
B29 B32 B28 60.7(8) . . ?
B31 B32 B28 108.5(8) . . ?
B27 B32 B28 61.1(7) . . ?
B16 O1 C7 124.0(9) . . ?
C2 C1 B4 111.7(7) . . ?
C2 C1 B6 61.8(5) . . ?
B4 C1 B6 117.2(7) . . ?
C2 C1 B5 113.0(7) . . ?
B4 C1 B5 63.9(6) . . ?
B6 C1 B5 64.3(6) . . ?
C2 C1 B3 63.2(5) . . ?
B4 C1 B3 62.9(6) . . ?
B6 C1 B3 118.5(6) . . ?
B5 C1 B3 118.3(7) . . ?
C2 C1 Se1 114.3(5) . . ?
B4 C1 Se1 112.8(5) . . ?
B6 C1 Se1 126.8(6) . . ?
B5 C1 Se1 129.0(6) . . ?
B3 C1 Se1 99.3(5) . . ?
C1 C2 B11 113.2(7) . . ?
C1 C2 B6 62.0(5) . . ?
B11 C2 B6 64.2(6) . . ?
C1 C2 B7 112.9(7) . . ?
B11 C2 B7 64.7(6) . . ?
B6 C2 B7 118.5(7) . . ?
C1 C2 B3 63.8(5) . . ?
B11 C2 B3 118.4(7) . . ?
B6 C2 B3 119.3(7) . . ?
B7 C2 B3 62.7(5) . . ?
C1 C2 Se2 114.0(5) . . ?
B11 C2 Se2 129.0(6) . . ?
B6 C2 Se2 126.5(6) . . ?
B7 C2 Se2 111.6(6) . . ?
B3 C2 Se2 99.0(5) . . ?
C4 C3 B14 111.2(7) . . ?
C4 C3 B15 110.1(7) . . ?
B14 C3 B15 63.2(6) . . ?
C4 C3 B13 61.5(6) . . ?
B14 C3 B13 62.2(6) . . ?
B15 C3 B13 113.9(7) . . ?
C4 C3 B16 60.0(5) . . ?
B14 C3 B16 114.0(7) . . ?
B15 C3 B16 62.1(6) . . ?
B13 C3 B16 112.7(7) . . ?
C4 C3 Se3 120.0(5) . . ?
B14 C3 Se3 122.7(7) . . ?
B15 C3 Se3 115.9(6) . . ?
B13 C3 Se3 123.7(6) . . ?
B16 C3 Se3 112.7(6) . . ?
C3 C4 B21 111.2(7) . . ?
C3 C4 B17 109.6(7) . . ?
B21 C4 B17 61.9(6) . . ?
C3 C4 B13 60.6(6) . . ?
B21 C4 B13 113.0(7) . . ?
B17 C4 B13 61.6(6) . . ?
C3 C4 B16 63.8(6) . . ?
B21 C4 B16 61.1(6) . . ?
B17 C4 B16 112.7(7) . . ?
B13 C4 B16 115.0(7) . . ?
C3 C4 Se4 118.0(5) . . ?
B21 C4 Se4 127.5(6) . . ?
B17 C4 Se4 113.8(7) . . ?
B13 C4 Se4 106.3(6) . . ?
B16 C4 Se4 128.2(6) . . ?
C6 C5 B24 111.8(7) . . ?
C6 C5 B23 62.0(6) . . ?
B24 C5 B23 62.6(7) . . ?
C6 C5 B25 112.6(7) . . ?
B24 C5 B25 62.8(6) . . ?
B23 C5 B25 115.4(8) . . ?
C6 C5 B26 61.7(6) . . ?
B24 C5 B26 114.2(7) . . ?
B23 C5 B26 115.0(7) . . ?
B25 C5 B26 62.8(6) . . ?
C6 C5 Se5 117.6(6) . . ?
B24 C5 Se5 123.2(6) . . ?
B23 C5 Se5 120.5(6) . . ?
B25 C5 Se5 116.9(6) . . ?
B26 C5 Se5 112.7(6) . . ?
C5 C6 B31 109.3(7) . . ?
C5 C6 B27 110.4(8) . . ?
B31 C6 B27 62.7(7) . . ?
C5 C6 B26 60.2(5) . . ?
B31 C6 B26 61.6(6) . . ?
B27 C6 B26 113.3(8) . . ?
C5 C6 B23 59.8(6) . . ?
B31 C6 B23 114.0(8) . . ?
B27 C6 B23 63.5(6) . . ?
B26 C6 B23 111.9(7) . . ?
C5 C6 Se6 118.9(6) . . ?
B31 C6 Se6 122.6(6) . . ?
B27 C6 Se6 120.3(7) . . ?
B26 C6 Se6 119.2(6) . . ?
B23 C6 Se6 116.1(6) . . ?
C9 C8 C12 107.7(9) . . ?
C9 C8 C13 127.2(10) . . ?
C12 C8 C13 125.0(10) . . ?
C9 C8 Ir1 70.4(5) . . ?
C12 C8 Ir1 70.6(5) . . ?
C13 C8 Ir1 126.4(7) . . ?
C8 C9 C10 108.1(8) . . ?
C8 C9 C14 126.2(10) . . ?
C10 C9 C14 125.3(10) . . ?
C8 C9 Ir1 71.6(5) . . ?
C10 C9 Ir1 71.0(5) . . ?
C14 C9 Ir1 128.3(7) . . ?
C11 C10 C9 107.6(9) . . ?
C11 C10 C15 127.2(10) . . ?
C9 C10 C15 124.9(9) . . ?
C11 C10 Ir1 71.4(5) . . ?
C9 C10 Ir1 70.3(5) . . ?
C15 C10 Ir1 128.3(7) . . ?
C10 C11 C12 108.4(9) . . ?
C10 C11 C16 126.2(9) . . ?
C12 C11 C16 125.2(8) . . ?
C10 C11 Ir1 70.7(5) . . ?
C12 C11 Ir1 70.6(5) . . ?
C16 C11 Ir1 129.2(7) . . ?
C11 C12 C8 108.2(8) . . ?
C11 C12 C17 124.9(9) . . ?
C8 C12 C17 126.7(10) . . ?
C11 C12 Ir1 71.3(5) . . ?
C8 C12 Ir1 71.2(5) . . ?
C17 C12 Ir1 127.6(7) . . ?
C22 C18 C19 108.2(8) . . ?
C22 C18 C23 125.1(10) . . ?
C19 C18 C23 126.6(9) . . ?
C22 C18 Ir3 71.6(5) . . ?
C19 C18 Ir3 70.7(5) . . ?
C23 C18 Ir3 127.5(7) . . ?
C20 C19 C18 107.5(8) . . ?
C20 C19 C24 127.3(10) . . ?
C18 C19 C24 124.7(9) . . ?
C20 C19 Ir3 71.8(5) . . ?
C18 C19 Ir3 70.6(5) . . ?
C24 C19 Ir3 129.4(7) . . ?
C21 C20 C19 107.7(8) . . ?
C21 C20 C25 126.2(9) . . ?
C19 C20 C25 126.0(9) . . ?
C21 C20 Ir3 70.7(5) . . ?
C19 C20 Ir3 70.4(5) . . ?
C25 C20 Ir3 126.7(7) . . ?
C20 C21 C22 109.3(8) . . ?
C20 C21 C26 125.8(9) . . ?
C22 C21 C26 124.5(9) . . ?
C20 C21 Ir3 71.6(5) . . ?
C22 C21 Ir3 71.3(5) . . ?
C26 C21 Ir3 129.1(7) . . ?
C18 C22 C21 107.2(8) . . ?
C18 C22 C27 127.0(9) . . ?
C21 C22 C27 125.7(9) . . ?
C18 C22 Ir3 70.6(5) . . ?
C21 C22 Ir3 70.9(5) . . ?
C27 C22 Ir3 125.9(6) . . ?
C33 C28 C29 119.2(12) . . ?
C30 C29 C28 117.4(14) . . ?
C31 C30 C29 117.5(16) . . ?
C30 C31 C32 130.8(19) . . ?
C31 C32 C33 113.1(16) . . ?
C28 C33 C32 121.9(13) . . ?
C28 C33 C34 121.6(13) . . ?
C32 C33 C34 116.4(14) . . ?
C40 C35 C36 119(2) . . ?
C37 C36 C35 131(2) . . ?
C36 C37 C38 103(2) . . ?
C39 C38 C37 137(3) . . ?
C38 C39 C40 108(3) . . ?
C41 C40 C35 131(3) . . ?
C41 C40 C39 108(3) . . ?
C35 C40 C39 121(3) . . ?
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
Ir1 C9 2.179(9) . ?
Ir1 C12 2.188(9) . ?
Ir1 C10 2.189(8) . ?
Ir1 C8 2.195(9) . ?
Ir1 C11 2.198(9) . ?
Ir1 Se2 2.4676(10) . ?
Ir1 Se1 2.4868(10) . ?
Ir1 Se4 2.5247(11) . ?
Ir2 B3 2.102(10) . ?
Ir2 Se3 2.4251(11) . ?
Ir2 Se5 2.4272(9) . ?
Ir2 Se1 2.4893(11) . ?
Ir2 Se4 2.5485(11) . ?
Ir2 Se2 2.5506(10) . ?
Ir3 C18 2.188(9) . ?
Ir3 C19 2.190(9) . ?
Ir3 C21 2.197(9) . ?
Ir3 C22 2.202(9) . ?
Ir3 C20 2.208(8) . ?
Ir3 Se6 2.4673(11) . ?
Ir3 Se5 2.4731(11) . ?
Ir3 Se3 2.4967(10) . ?
Se1 C1 1.960(8) . ?
Se2 C2 1.981(8) . ?
Se3 C3 2.001(8) . ?
Se4 C4 1.964(9) . ?
Se5 C5 1.979(8) . ?
Se6 C6 1.935(9) . ?
B3 B8 1.757(14) . ?
B3 C2 1.774(12) . ?
B3 C1 1.784(13) . ?
B3 B4 1.805(14) . ?
B3 B7 1.806(14) . ?
B4 C1 1.670(13) . ?
B4 B9 1.759(14) . ?
B4 B8 1.767(16) . ?
B4 B5 1.779(14) . ?
B5 C1 1.690(12) . ?
B5 B10 1.773(16) . ?
B5 B9 1.783(16) . ?
B5 B6 1.797(14) . ?
B6 C2 1.683(13) . ?
B6 C1 1.686(12) . ?
B6 B10 1.767(15) . ?
B6 B11 1.784(14) . ?
B7 C2 1.695(13) . ?
B7 B8 1.762(15) . ?
B7 B12 1.777(15) . ?
B7 B11 1.803(15) . ?
B8 B12 1.792(14) . ?
B8 B9 1.802(16) . ?
B9 B10 1.776(15) . ?
B9 B12 1.786(16) . ?
B10 B12 1.786(17) . ?
B10 B11 1.795(16) . ?
B11 C2 1.675(13) . ?
B11 B12 1.771(15) . ?
B13 C3 1.723(14) . ?
B13 C4 1.738(13) . ?
B13 B14 1.761(17) . ?
B13 B18 1.769(15) . ?
B13 B17 1.773(16) . ?
B14 C3 1.684(14) . ?
B14 B18 1.769(18) . ?
B14 B15 1.769(16) . ?
B14 B19 1.785(16) . ?
B15 C3 1.691(13) . ?
B15 B20 1.753(16) . ?
B15 B19 1.777(16) . ?
B15 B16 1.806(15) . ?
B16 O1 1.362(13) . ?
B16 B20 1.740(16) . ?
B16 C4 1.745(14) . ?
B16 B21 1.763(16) . ?
B16 C3 1.807(13) . ?
B17 C4 1.724(14) . ?
B17 B22 1.752(16) . ?
B17 B21 1.773(17) . ?
B17 B18 1.792(18) . ?
B18 B19 1.774(18) . ?
B18 B22 1.781(18) . ?
B19 B22 1.761(18) . ?
B19 B20 1.768(18) . ?
B20 B22 1.778(19) . ?
B20 B21 1.796(17) . ?
B21 C4 1.722(13) . ?
B21 B22 1.760(17) . ?
B23 C5 1.686(14) . ?
B23 C6 1.722(14) . ?
B23 B24 1.749(17) . ?
B23 B28 1.768(16) . ?
B23 B27 1.810(16) . ?
B24 C5 1.682(14) . ?
B24 B28 1.747(17) . ?
B24 B25 1.755(16) . ?
B24 B29 1.768(15) . ?
B25 C5 1.688(13) . ?
B25 B26 1.761(16) . ?
B25 B29 1.765(17) . ?
B25 B30 1.789(16) . ?
B26 C5 1.694(13) . ?
B26 C6 1.719(14) . ?
B26 B31 1.750(16) . ?
B26 B30 1.757(16) . ?
B27 C6 1.715(15) . ?
B27 B32 1.772(18) . ?
B27 B31 1.777(17) . ?
B27 B28 1.801(19) . ?
B28 B32 1.772(17) . ?
B28 B29 1.788(19) . ?
B29 B30 1.763(18) . ?
B29 B32 1.766(19) . ?
B30 B32 1.749(19) . ?
B30 B31 1.759(18) . ?
B31 C6 1.700(13) . ?
B31 B32 1.769(17) . ?
O1 C7 1.409(12) . ?
C1 C2 1.589(11) . ?
C3 C4 1.674(12) . ?
C5 C6 1.655(12) . ?
C8 C9 1.427(13) . ?
C8 C12 1.438(13) . ?
C8 C13 1.480(13) . ?
C9 C10 1.449(14) . ?
C9 C14 1.516(13) . ?
C10 C11 1.424(12) . ?
C10 C15 1.501(13) . ?
C11 C12 1.432(13) . ?
C11 C16 1.493(13) . ?
C12 C17 1.489(13) . ?
C18 C22 1.424(12) . ?
C18 C19 1.452(13) . ?
C18 C23 1.485(12) . ?
C19 C20 1.424(12) . ?
C19 C24 1.484(13) . ?
C20 C21 1.424(12) . ?
C20 C25 1.481(12) . ?
C21 C22 1.427(13) . ?
C21 C26 1.535(12) . ?
C22 C27 1.508(12) . ?
C28 C33 1.365(15) . ?
C28 C29 1.464(17) . ?
C29 C30 1.336(18) . ?
C30 C31 1.322(18) . ?
C31 C32 1.326(19) . ?
C32 C33 1.382(18) . ?
C33 C34 1.481(18) . ?
C35 C40 1.29(3) . ?
C35 C36 1.36(2) . ?
C36 C37 1.31(3) . ?
C37 C38 1.41(3) . ?
C38 C39 1.33(3) . ?
C39 C40 1.46(3) . ?
C40 C41 1.27(3) . ?
