#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:43:41 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179761 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/57/7005795.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_7005795
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            'C42 H79 B30 Ir3 O Se6'
_chemical_formula_weight         1974.71
_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                96.771(4)
_cell_angle_beta                 105.979(4)
_cell_angle_gamma                100.469(4)
_cell_formula_units_Z            2
_cell_length_a                   13.017(4)
_cell_length_b                   14.016(4)
_cell_length_c                   20.129(6)
_cell_measurement_reflns_used    951
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      21.11
_cell_measurement_theta_min      2.279
_cell_volume                     3416.6(18)
_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 0.978
_diffrn_measured_fraction_theta_max 0.978
_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  0.0480
_diffrn_reflns_av_sigmaI/netI    0.0846
_diffrn_reflns_limit_h_max       15
_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       -23
_diffrn_reflns_number            21386
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.07
_exptl_absorpt_coefficient_mu    9.058
_exptl_absorpt_correction_T_max  0.6602
_exptl_absorpt_correction_T_min  0.4645
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    1.920
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1848
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.388
_refine_diff_density_min         -0.754
_refine_diff_density_rms         0.176
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     685
_refine_ls_number_reflns         11780
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0802
_refine_ls_R_factor_gt           0.0464
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0499P)²+0.8566P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1083
_refine_ls_wR_factor_ref         0.1218
_reflns_number_gt                7978
_reflns_number_total             11780
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b705366e.txt
_cod_data_source_block           f41203a
_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        3416.4(16)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7005795
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 0.76182(4) 1.01766(3) 0.22060(2) 0.03876(13) Uani 1 1 d . . .
Se1 Se 0.63472(10) 1.03152(8) 0.29224(5) 0.0395(3) Uani 1 1 d . . .
Se2 Se 0.58914(9) 0.92136(8) 0.13490(5) 0.0362(3) Uani 1 1 d . . .
C1 C 0.4976(8) 1.0452(7) 0.2274(6) 0.036(3) Uani 1 1 d . . .
C2 C 0.4742(9) 0.9888(8) 0.1471(5) 0.037(3) Uani 1 1 d . . .
B3 B 0.4254(10) 0.9185(9) 0.2047(7) 0.035(3) Uani 1 1 d . . .
B4 B 0.3889(12) 1.0141(9) 0.2558(7) 0.045(3) Uani 1 1 d . . .
H4 H 0.3924 1.0086 0.3104 0.054 Uiso 1 1 calc R . .
B5 B 0.4254(12) 1.1295(11) 0.2320(8) 0.053(4) Uani 1 1 d . . .
H5 H 0.4528 1.1981 0.2710 0.064 Uiso 1 1 calc R . .
B6 B 0.4832(12) 1.1136(9) 0.1626(7) 0.044(3) Uani 1 1 d . . .
H6 H 0.5477 1.1706 0.1557 0.052 Uiso 1 1 calc R . .
B7 B 0.3839(12) 1.0325(11) 0.0910(7) 0.051(4) Uani 1 1 d . . .
H7 H 0.3835 1.0380 0.0369 0.062 Uiso 1 1 calc R . .
B8 B 0.3474(12) 0.9158(12) 0.1161(8) 0.054(4) Uani 1 1 d . . .
H8 H 0.3235 0.8461 0.0785 0.064 Uiso 1 1 calc R . .
B9 B 0.2887(12) 0.9346(10) 0.1846(8) 0.052(4) Uani 1 1 d . . .
H9 H 0.2244 0.8778 0.1919 0.063 Uiso 1 1 calc R . .
B10 B 0.2887(14) 1.0619(12) 0.2010(9) 0.066(5) Uani 1 1 d . . .
H10 H 0.2239 1.0874 0.2186 0.079 Uiso 1 1 calc R . .
B11 B 0.3465(13) 1.1220(11) 0.1452(8) 0.054(4) Uani 1 1 d . . .
H11 H 0.3196 1.1868 0.1267 0.065 Uiso 1 1 calc R . .
B12 B 0.2621(12) 1.0009(11) 0.1136(8) 0.052(4) Uani 1 1 d . . .
H12 H 0.1811 0.9863 0.0740 0.063 Uiso 1 1 calc R . .
C9 C 0.9074(10) 1.1307(9) 0.2791(6) 0.054(3) Uani 1 1 d . . .
C10 C 0.9396(9) 1.0569(9) 0.2401(7) 0.050(3) Uani 1 1 d . . .
C11 C 0.8863(11) 1.0526(9) 0.1668(7) 0.055(3) Uani 1 1 d . . .
C12 C 0.8206(9) 1.1247(9) 0.1609(6) 0.045(3) Uani 1 1 d . . .
C13 C 0.8342(10) 1.1732(7) 0.2313(7) 0.048(3) Uani 1 1 d . . .
C14 C 0.9506(12) 1.1654(11) 0.3575(7) 0.081(5) Uani 1 1 d . . .
H14A H 0.9491 1.1094 0.3807 0.121 Uiso 1 1 calc R . .
H14B H 0.9056 1.2058 0.3718 0.121 Uiso 1 1 calc R . .
H14C H 1.0246 1.2031 0.3698 0.121 Uiso 1 1 calc R . .
C15 C 1.0212(11) 0.9998(10) 0.2694(8) 0.074(4) Uani 1 1 d . . .
H15A H 1.0936 1.0410 0.2825 0.111 Uiso 1 1 calc R . .
H15B H 1.0152 0.9441 0.2348 0.111 Uiso 1 1 calc R . .
H15C H 1.0077 0.9773 0.3101 0.111 Uiso 1 1 calc R . .
C16 C 0.9015(13) 0.9924(10) 0.1055(7) 0.079(5) Uani 1 1 d . . .
H16A H 0.9522 1.0322 0.0875 0.119 Uiso 1 1 calc R . .
H16B H 0.8323 0.9692 0.0695 0.119 Uiso 1 1 calc R . .
H16C H 0.9300 0.9372 0.1201 0.119 Uiso 1 1 calc R . .
C17 C 0.7550(12) 1.1536(10) 0.0938(7) 0.076(5) Uani 1 1 d . . .
H17A H 0.8043 1.1921 0.0743 0.114 Uiso 1 1 calc R . .
H17B H 0.7054 1.1916 0.1045 0.114 Uiso 1 1 calc R . .
H17C H 0.7141 1.0951 0.0604 0.114 Uiso 1 1 calc R . .
C18 C 0.7943(11) 1.2633(9) 0.2523(8) 0.073(4) Uani 1 1 d . . .
H18A H 0.7723 1.2573 0.2937 0.109 Uiso 1 1 calc R . .
H18B H 0.7329 1.2692 0.2148 0.109 Uiso 1 1 calc R . .
H18C H 0.8523 1.3210 0.2618 0.109 Uiso 1 1 calc R . .
Ir2 Ir 0.55896(4) 0.85318(3) 0.24166(2) 0.03277(12) Uani 1 1 d . . .
Se3 Se 0.50455(9) 0.67980(8) 0.18870(5) 0.0362(3) Uani 1 1 d . . .
Se4 Se 0.76384(9) 0.86026(8) 0.27031(6) 0.0390(3) Uani 1 1 d . . .
C3 C 0.6466(8) 0.6463(7) 0.1872(6) 0.036(3) Uani 1 1 d . . .
C4 C 0.7623(9) 0.7346(8) 0.2139(6) 0.043(3) Uani 1 1 d . . .
B13 B 0.7487(11) 0.6476(9) 0.2640(7) 0.045(3) Uani 1 1 d . . .
H13 H 0.7407 0.6637 0.3170 0.054 Uiso 1 1 calc R . .
B14 B 0.6754(12) 0.5355(10) 0.2039(8) 0.054(4) Uani 1 1 d . . .
H14 H 0.6203 0.4778 0.2183 0.064 Uiso 1 1 calc R . .
B15 B 0.6457(12) 0.5658(10) 0.1181(8) 0.052(4) Uani 1 1 d . . .
H15 H 0.5703 0.5277 0.0761 0.062 Uiso 1 1 calc R . .
B16 B 0.6983(12) 0.6941(10) 0.1233(7) 0.048(4) Uani 1 1 d . . .
B17 B 0.8743(12) 0.6854(11) 0.2469(8) 0.054(4) Uani 1 1 d . . .
H17 H 0.9488 0.7251 0.2891 0.065 Uiso 1 1 calc R . .
B18 B 0.8200(13) 0.5590(10) 0.2392(8) 0.056(4) Uani 1 1 d . . .
H18 H 0.8593 0.5153 0.2765 0.068 Uiso 1 1 calc R . .
B19 B 0.7565(13) 0.5059(12) 0.1491(9) 0.062(4) Uani 1 1 d . . .
H19 H 0.7540 0.4294 0.1275 0.075 Uiso 1 1 calc R . .
B20 B 0.7721(13) 0.6040(12) 0.1025(8) 0.061(4) Uani 1 1 d . . .
H20 H 0.7804 0.5896 0.0495 0.074 Uiso 1 1 calc R . .
B21 B 0.8465(12) 0.7151(11) 0.1627(8) 0.056(4) Uani 1 1 d . . .
H21 H 0.9026 0.7740 0.1502 0.067 Uiso 1 1 calc R . .
B22 B 0.8788(14) 0.6013(11) 0.1771(9) 0.065(4) Uani 1 1 d . . .
H22 H 0.9569 0.5857 0.1732 0.078 Uiso 1 1 calc R . .
O1 O 0.6486(7) 0.7546(6) 0.0850(4) 0.059(2) Uani 1 1 d . . .
C7 C 0.6007(17) 0.7296(13) 0.0080(8) 0.103(7) Uani 1 1 d . . .
H7A H 0.6280 0.7847 -0.0121 0.123 Uiso 1 1 calc R . .
H7B H 0.6267 0.6736 -0.0088 0.123 Uiso 1 1 calc R . .
C8 C 0.4866(15) 0.7069(15) -0.0170(10) 0.140(9) Uani 1 1 d . . .
H8A H 0.4634 0.6926 -0.0674 0.210 Uiso 1 1 calc R . .
H8B H 0.4595 0.7620 -0.0016 0.210 Uiso 1 1 calc R . .
H8C H 0.4582 0.6504 0.0006 0.210 Uiso 1 1 calc R . .
Ir3 Ir 0.41655(4) 0.61816(3) 0.27576(2) 0.03698(13) Uani 1 1 d . . .
Se5 Se 0.47065(9) 0.79627(8) 0.32605(5) 0.0356(3) Uani 1 1 d . . .
Se6 Se 0.56619(11) 0.58600(9) 0.37040(6) 0.0497(3) Uani 1 1 d . . .
C5 C 0.5704(9) 0.8028(8) 0.4219(6) 0.044(3) Uani 1 1 d . . .
C6 C 0.6072(10) 0.7016(8) 0.4439(6) 0.046(3) Uani 1 1 d . . .
B23 B 0.7036(12) 0.7989(11) 0.4355(8) 0.058(4) Uani 1 1 d . . .
H23 H 0.7450 0.7971 0.3947 0.069 Uiso 1 1 calc R . .
B24 B 0.6663(13) 0.9059(11) 0.4666(7) 0.059(4) Uani 1 1 d . . .
H24 H 0.6833 0.9743 0.4459 0.071 Uiso 1 1 calc R . .
B25 B 0.5450(14) 0.8694(11) 0.4892(7) 0.058(4) Uani 1 1 d . . .
H25 H 0.4836 0.9148 0.4832 0.070 Uiso 1 1 calc R . .
B26 B 0.5060(13) 0.7397(10) 0.4720(7) 0.050(4) Uani 1 1 d . . .
H26 H 0.4193 0.7003 0.4536 0.060 Uiso 1 1 calc R . .
B27 B 0.7296(13) 0.7284(12) 0.5052(7) 0.060(4) Uani 1 1 d . . .
H27 H 0.7888 0.6808 0.5101 0.071 Uiso 1 1 calc R . .
B28 B 0.7690(13) 0.8623(12) 0.5215(7) 0.061(4) Uani 1 1 d . . .
H28 H 0.8550 0.9029 0.5374 0.073 Uiso 1 1 calc R . .
B29 B 0.6721(14) 0.9056(14) 0.5558(8) 0.075(5) Uani 1 1 d . . .
H29 H 0.6942 0.9741 0.5945 0.090 Uiso 1 1 calc R . .
B30 B 0.5722(14) 0.8012(12) 0.5585(7) 0.066(5) Uani 1 1 d . . .
H30 H 0.5295 0.8021 0.5986 0.079 Uiso 1 1 calc R . .
B31 B 0.6068(13) 0.6940(12) 0.5282(7) 0.059(4) Uani 1 1 d . . .
H31 H 0.5861 0.6252 0.5477 0.071 Uiso 1 1 calc R . .
B32 B 0.7126(13) 0.7977(12) 0.5792(7) 0.064(5) Uani 1 1 d . . .
H32 H 0.7630 0.7967 0.6327 0.077 Uiso 1 1 calc R . .
C19 C 0.3198(9) 0.4649(8) 0.2612(6) 0.046(3) Uani 1 1 d . . .
C20 C 0.3019(10) 0.4979(8) 0.1948(6) 0.051(3) Uani 1 1 d . . .
C21 C 0.2517(9) 0.5835(8) 0.1997(6) 0.049(3) Uani 1 1 d . . .
C22 C 0.2407(9) 0.5996(9) 0.2696(7) 0.050(3) Uani 1 1 d . . .
C23 C 0.2842(9) 0.5295(8) 0.3077(6) 0.047(3) Uani 1 1 d . . .
C24 C 0.3688(12) 0.3774(8) 0.2794(8) 0.073(4) Uani 1 1 d . . .
H24A H 0.3120 0.3183 0.2644 0.110 Uiso 1 1 calc R . .
H24B H 0.4024 0.3868 0.3292 0.110 Uiso 1 1 calc R . .
H24C H 0.4231 0.3720 0.2560 0.110 Uiso 1 1 calc R . .
C25 C 0.3218(11) 0.4479(10) 0.1309(7) 0.073(4) Uani 1 1 d . . .
H25A H 0.3863 0.4220 0.1449 0.109 Uiso 1 1 calc R . .
H25B H 0.3320 0.4947 0.1008 0.109 Uiso 1 1 calc R . .
H25C H 0.2599 0.3951 0.1062 0.109 Uiso 1 1 calc R . .
C26 C 0.2069(11) 0.6328(11) 0.1394(8) 0.080(5) Uani 1 1 d . . .
H26A H 0.1339 0.5969 0.1133 0.120 Uiso 1 1 calc R . .
H26B H 0.2527 0.6341 0.1094 0.120 Uiso 1 1 calc R . .
H26C H 0.2052 0.6991 0.1570 0.120 Uiso 1 1 calc R . .
C27 C 0.1885(11) 0.6775(10) 0.2947(7) 0.069(4) Uani 1 1 d . . .
H27A H 0.1210 0.6469 0.3018 0.103 Uiso 1 1 calc R . .
H27B H 0.1737 0.7192 0.2602 0.103 Uiso 1 1 calc R . .
H27C H 0.2372 0.7164 0.3382 0.103 Uiso 1 1 calc R . .
C28 C 0.2793(13) 0.5146(10) 0.3780(7) 0.078(5) Uani 1 1 d . . .
H28A H 0.2639 0.5718 0.4012 0.117 Uiso 1 1 calc R . .
H28B H 0.3485 0.5044 0.4050 0.117 Uiso 1 1 calc R . .
H28C H 0.2225 0.4579 0.3737 0.117 Uiso 1 1 calc R . .
C29 C 0.044(3) 0.209(3) 0.017(2) 0.199(17) Uiso 0.70 1 d P . .
H29A H 0.1095 0.1847 0.0211 0.299 Uiso 0.70 1 calc PR . .
H29B H 0.0351 0.2500 -0.0176 0.299 Uiso 0.70 1 calc PR . .
H29C H -0.0182 0.1539 0.0041 0.299 Uiso 0.70 1 calc PR . .
C30 C 0.0497(12) 0.2501(10) 0.0668(6) 0.086(7) Uiso 0.70 1 d PG . .
C31 C 0.0826(10) 0.2395(8) 0.1368(7) 0.052(5) Uiso 0.70 1 d PG . .
H31A H 0.1169 0.1889 0.1496 0.063 Uiso 0.70 1 calc PR . .
C32 C 0.0643(11) 0.3046(10) 0.1877(5) 0.087(7) Uiso 0.70 1 d PG . .
H32A H 0.0863 0.2975 0.2345 0.104 Uiso 0.70 1 calc PR . .
C33 C 0.0130(11) 0.3803(9) 0.1685(7) 0.072(6) Uiso 0.70 1 d PG . .
H33A H 0.0007 0.4239 0.2026 0.086 Uiso 0.70 1 calc PR . .
C34 C -0.0199(11) 0.3910(9) 0.0985(7) 0.082(7) Uiso 0.70 1 d PG . .
H34A H -0.0542 0.4416 0.0857 0.098 Uiso 0.70 1 calc PR . .
C35 C -0.0015(12) 0.3258(11) 0.0476(5) 0.098(8) Uiso 0.70 1 d PG . .
H35A H -0.0235 0.3329 0.0008 0.118 Uiso 0.70 1 calc PR . .
C36 C 0.747(3) 0.360(3) 0.441(2) 0.193(17) Uiso 0.70 1 d P . .
H36A H 0.6834 0.3119 0.4114 0.289 Uiso 0.70 1 calc PR . .
H36B H 0.7830 0.3938 0.4115 0.289 Uiso 0.70 1 calc PR . .
H36C H 0.7248 0.4070 0.4695 0.289 Uiso 0.70 1 calc PR . .
C37 C 0.7985(16) 0.3267(13) 0.4712(9) 0.110(9) Uiso 0.70 1 d PG . .
C38 C 0.7568(11) 0.2308(13) 0.4777(8) 0.081(6) Uiso 0.70 1 d PG . .
H38A H 0.6830 0.2016 0.4561 0.097 Uiso 0.70 1 calc PR . .
C39 C 0.8253(16) 0.1787(10) 0.5167(9) 0.121(10) Uiso 0.70 1 d PG . .
H39A H 0.7974 0.1145 0.5210 0.145 Uiso 0.70 1 calc PR . .
C40 C 0.9356(14) 0.2223(16) 0.5491(9) 0.125(10) Uiso 0.70 1 d PG . .
H40A H 0.9815 0.1874 0.5751 0.150 Uiso 0.70 1 calc PR . .
C41 C 0.9774(12) 0.3181(16) 0.5425(10) 0.154(13) Uiso 0.70 1 d PG . .
H41A H 1.0512 0.3473 0.5642 0.185 Uiso 0.70 1 calc PR . .
C42 C 0.9088(17) 0.3703(11) 0.5036(11) 0.149(12) Uiso 0.70 1 d PG . .
H42A H 0.9368 0.4344 0.4993 0.179 Uiso 0.70 1 calc PR . .
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'
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'
O O 0.0106 0.0060 '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
C13 Ir1 C9 38.2(4) . . ?
C13 Ir1 C12 38.7(4) . . ?
C9 Ir1 C12 64.2(4) . . ?
C13 Ir1 C10 63.8(5) . . ?
C9 Ir1 C10 37.9(4) . . ?
C12 Ir1 C10 63.9(4) . . ?
C13 Ir1 C11 64.2(5) . . ?
C9 Ir1 C11 63.8(5) . . ?
C12 Ir1 C11 38.1(4) . . ?
C10 Ir1 C11 38.2(4) . . ?
C13 Ir1 Se2 127.5(3) . . ?
C9 Ir1 Se2 165.3(3) . . ?
C12 Ir1 Se2 102.2(3) . . ?
C10 Ir1 Se2 143.1(3) . . ?
C11 Ir1 Se2 109.5(3) . . ?
C13 Ir1 Se1 99.0(3) . . ?
C9 Ir1 Se1 103.1(3) . . ?
C12 Ir1 Se1 128.0(3) . . ?
C10 Ir1 Se1 135.8(3) . . ?
C11 Ir1 Se1 163.2(3) . . ?
Se2 Ir1 Se1 80.45(4) . . ?
C13 Ir1 Se4 148.1(3) . . ?
C9 Ir1 Se4 110.5(3) . . ?
C12 Ir1 Se4 151.9(3) . . ?
C10 Ir1 Se4 94.5(3) . . ?
C11 Ir1 Se4 113.9(3) . . ?
Se2 Ir1 Se4 84.10(4) . . ?
Se1 Ir1 Se4 79.91(4) . . ?
C1 Se1 Ir2 82.7(3) . . ?
C1 Se1 Ir1 106.0(3) . . ?
Ir2 Se1 Ir1 83.88(4) . . ?
C2 Se2 Ir1 106.3(3) . . ?
C2 Se2 Ir2 81.7(3) . . ?
Ir1 Se2 Ir2 83.32(4) . . ?
C2 C1 B5 112.8(9) . . ?
C2 C1 B4 111.2(9) . . ?
B5 C1 B4 64.1(8) . . ?
C2 C1 B6 62.0(7) . . ?
B5 C1 B6 63.9(7) . . ?
B4 C1 B6 116.7(9) . . ?
C2 C1 B3 62.4(7) . . ?
B5 C1 B3 117.7(9) . . ?
B4 C1 B3 62.7(7) . . ?
B6 C1 B3 117.6(8) . . ?
C2 C1 Se1 113.3(7) . . ?
B5 C1 Se1 130.4(8) . . ?
B4 C1 Se1 113.4(7) . . ?
B6 C1 Se1 127.1(8) . . ?
B3 C1 Se1 99.3(6) . . ?
C1 C2 B7 110.8(8) . . ?
C1 C2 B8 111.0(9) . . ?
B7 C2 B8 64.9(8) . . ?
C1 C2 B6 60.8(6) . . ?
B7 C2 B6 63.0(8) . . ?
B8 C2 B6 116.8(9) . . ?
C1 C2 B3 63.1(6) . . ?
B7 C2 B3 117.2(9) . . ?
B8 C2 B3 62.0(7) . . ?
B6 C2 B3 117.3(8) . . ?
C1 C2 Se2 113.8(7) . . ?
B7 C2 Se2 131.6(8) . . ?
B8 C2 Se2 113.3(8) . . ?
B6 C2 Se2 127.4(8) . . ?
B3 C2 Se2 99.3(6) . . ?
B9 B3 C2 100.2(8) . . ?
B9 B3 B8 59.5(8) . . ?
C2 B3 B8 56.3(7) . . ?
B9 B3 C1 99.3(8) . . ?
C2 B3 C1 54.5(6) . . ?
B8 B3 C1 99.7(8) . . ?
B9 B3 B4 58.5(7) . . ?
C2 B3 B4 99.1(8) . . ?
B8 B3 B4 104.7(9) . . ?
C1 B3 B4 55.4(7) . . ?
B9 B3 Ir2 158.2(8) . . ?
C2 B3 Ir2 100.1(6) . . ?
B8 B3 Ir2 128.5(8) . . ?
C1 B3 Ir2 98.8(6) . . ?
B4 B3 Ir2 125.2(8) . . ?
C1 B4 B9 105.3(9) . . ?
C1 B4 B10 103.2(9) . . ?
B9 B4 B10 61.0(9) . . ?
C1 B4 B5 57.3(7) . . ?
B9 B4 B5 109.6(10) . . ?
B10 B4 B5 60.1(8) . . ?
C1 B4 B3 61.9(7) . . ?
B9 B4 B3 59.9(7) . . ?
B10 B4 B3 110.0(10) . . ?
B5 B4 B3 111.4(9) . . ?
C1 B5 B11 104.1(9) . . ?
C1 B5 B10 103.9(10) . . ?
B11 B5 B10 59.2(9) . . ?
C1 B5 B4 58.6(7) . . ?
B11 B5 B4 107.2(11) . . ?
B10 B5 B4 59.7(8) . . ?
C1 B5 B6 59.5(7) . . ?
B11 B5 B6 59.5(8) . . ?
B10 B5 B6 107.3(11) . . ?
B4 B5 B6 108.7(9) . . ?
C1 B6 C2 57.2(6) . . ?
C1 B6 B11 102.0(9) . . ?
C2 B6 B11 103.2(10) . . ?
C1 B6 B7 102.9(9) . . ?
C2 B6 B7 56.7(7) . . ?
B11 B6 B7 61.3(8) . . ?
C1 B6 B5 56.7(7) . . ?
C2 B6 B5 103.2(9) . . ?
B11 B6 B5 59.6(8) . . ?
B7 B6 B5 108.2(11) . . ?
C2 B7 B6 60.3(7) . . ?
C2 B7 B12 104.4(10) . . ?
B6 B7 B12 108.5(10) . . ?
C2 B7 B11 104.2(9) . . ?
B6 B7 B11 59.0(8) . . ?
B12 B7 B11 60.3(9) . . ?
C2 B7 B8 58.4(7) . . ?
B6 B7 B8 109.4(9) . . ?
B12 B7 B8 59.7(8) . . ?
B11 B7 B8 107.5(10) . . ?
C2 B8 B9 104.6(10) . . ?
C2 B8 B12 102.9(10) . . ?
B9 B8 B12 60.6(8) . . ?
C2 B8 B3 61.7(7) . . ?
B9 B8 B3 60.0(8) . . ?
B12 B8 B3 110.0(10) . . ?
C2 B8 B7 56.7(7) . . ?
B9 B8 B7 107.7(11) . . ?
B12 B8 B7 59.4(8) . . ?
B3 B8 B7 110.1(10) . . ?
B4 B9 B8 107.8(10) . . ?
B4 B9 B3 61.6(8) . . ?
B8 B9 B3 60.5(7) . . ?
B4 B9 B10 59.6(8) . . ?
B8 B9 B10 107.5(10) . . ?
B3 B9 B10 110.1(10) . . ?
B4 B9 B12 107.4(10) . . ?
B8 B9 B12 59.7(8) . . ?
B3 B9 B12 109.6(10) . . ?
B10 B9 B12 59.8(8) . . ?
B11 B10 B4 108.3(11) . . ?
B11 B10 B5 60.1(9) . . ?
B4 B10 B5 60.2(8) . . ?
B11 B10 B12 61.1(9) . . ?
B4 B10 B12 107.8(10) . . ?
B5 B10 B12 108.9(10) . . ?
B11 B10 B9 109.5(11) . . ?
B4 B10 B9 59.5(8) . . ?
B5 B10 B9 108.5(10) . . ?
B12 B10 B9 60.3(9) . . ?
B10 B11 B6 109.7(10) . . ?
B10 B11 B5 60.8(9) . . ?
B6 B11 B5 60.9(8) . . ?
B10 B11 B12 60.6(9) . . ?
B6 B11 B12 108.2(9) . . ?
B5 B11 B12 109.0(10) . . ?
B10 B11 B7 107.9(10) . . ?
B6 B11 B7 59.7(7) . . ?
B5 B11 B7 108.0(9) . . ?
B12 B11 B7 59.2(8) . . ?
B7 B12 B8 60.9(8) . . ?
B7 B12 B10 107.0(11) . . ?
B8 B12 B10 107.5(10) . . ?
B7 B12 B11 60.5(8) . . ?
B8 B12 B11 108.7(10) . . ?
B10 B12 B11 58.2(8) . . ?
B7 B12 B9 108.1(10) . . ?
B8 B12 B9 59.7(8) . . ?
B10 B12 B9 59.9(8) . . ?
B11 B12 B9 106.8(10) . . ?
C10 C9 C13 108.6(11) . . ?
C10 C9 C14 126.2(12) . . ?
C13 C9 C14 125.0(12) . . ?
C10 C9 Ir1 71.7(7) . . ?
C13 C9 Ir1 70.8(6) . . ?
C14 C9 Ir1 127.5(9) . . ?
C9 C10 C11 108.3(11) . . ?
C9 C10 C15 125.8(12) . . ?
C11 C10 C15 125.7(13) . . ?
C9 C10 Ir1 70.4(7) . . ?
C11 C10 Ir1 71.3(7) . . ?
C15 C10 Ir1 127.8(8) . . ?
C12 C11 C10 107.8(11) . . ?
C12 C11 C16 124.0(12) . . ?
C10 C11 C16 128.0(13) . . ?
C12 C11 Ir1 70.5(7) . . ?
C10 C11 Ir1 70.5(7) . . ?
C16 C11 Ir1 128.6(9) . . ?
C11 C12 C13 107.5(10) . . ?
C11 C12 C17 127.6(11) . . ?
C13 C12 C17 124.7(12) . . ?
C11 C12 Ir1 71.4(7) . . ?
C13 C12 Ir1 70.0(6) . . ?
C17 C12 Ir1 127.8(8) . . ?
C9 C13 C12 107.9(11) . . ?
C9 C13 C18 124.1(12) . . ?
C12 C13 C18 127.4(12) . . ?
C9 C13 Ir1 71.0(6) . . ?
C12 C13 Ir1 71.3(6) . . ?
C18 C13 Ir1 130.5(8) . . ?
B3 Ir2 Se3 108.3(3) . . ?
B3 Ir2 Se5 87.0(3) . . ?
Se3 Ir2 Se5 83.07(4) . . ?
B3 Ir2 Se1 76.3(3) . . ?
Se3 Ir2 Se1 173.35(4) . . ?
Se5 Ir2 Se1 102.17(4) . . ?
B3 Ir2 Se4 149.3(3) . . ?
Se3 Ir2 Se4 94.46(4) . . ?
Se5 Ir2 Se4 116.75(4) . . ?
Se1 Ir2 Se4 79.56(4) . . ?
B3 Ir2 Se2 75.0(3) . . ?
Se3 Ir2 Se2 97.54(4) . . ?
Se5 Ir2 Se2 161.23(4) . . ?
Se1 Ir2 Se2 78.83(4) . . ?
Se4 Ir2 Se2 81.96(4) . . ?
C3 Se3 Ir2 103.0(3) . . ?
C3 Se3 Ir3 118.5(3) . . ?
Ir2 Se3 Ir3 97.82(4) . . ?
C4 Se4 Ir1 122.4(3) . . ?
C4 Se4 Ir2 100.8(3) . . ?
Ir1 Se4 Ir2 82.01(4) . . ?
C4 C3 B15 110.7(9) . . ?
C4 C3 B14 110.0(9) . . ?
B15 C3 B14 63.4(8) . . ?
C4 C3 B13 59.3(7) . . ?
B15 C3 B13 114.1(9) . . ?
B14 C3 B13 62.6(7) . . ?
C4 C3 B16 61.7(7) . . ?
B15 C3 B16 62.5(7) . . ?
B14 C3 B16 115.0(9) . . ?
B13 C3 B16 112.9(9) . . ?
C4 C3 Se3 120.1(7) . . ?
B15 C3 Se3 117.6(8) . . ?
B14 C3 Se3 122.0(8) . . ?
B13 C3 Se3 121.7(7) . . ?
B16 C3 Se3 113.5(7) . . ?
C3 C4 B13 62.1(7) . . ?
C3 C4 B17 110.6(9) . . ?
B13 C4 B17 62.2(8) . . ?
C3 C4 B21 110.6(9) . . ?
B13 C4 B21 112.9(9) . . ?
B17 C4 B21 60.8(8) . . ?
C3 C4 B16 61.3(7) . . ?
B13 C4 B16 115.1(9) . . ?
B17 C4 B16 113.5(9) . . ?
B21 C4 B16 63.1(8) . . ?
C3 C4 Se4 118.5(7) . . ?
B13 C4 Se4 106.4(7) . . ?
B17 C4 Se4 114.3(8) . . ?
B21 C4 Se4 127.2(8) . . ?
B16 C4 Se4 127.1(8) . . ?
C4 B13 C3 58.6(7) . . ?
C4 B13 B17 60.0(8) . . ?
C3 B13 B17 106.1(9) . . ?
C4 B13 B18 105.5(10) . . ?
C3 B13 B18 104.1(9) . . ?
B17 B13 B18 59.3(8) . . ?
C4 B13 B14 105.8(10) . . ?
C3 B13 B14 58.1(7) . . ?
B17 B13 B14 107.5(10) . . ?
B18 B13 B14 59.4(8) . . ?
C3 B14 B18 105.5(10) . . ?
C3 B14 B15 57.4(7) . . ?
B18 B14 B15 107.2(11) . . ?
C3 B14 B19 105.6(11) . . ?
B18 B14 B19 59.9(9) . . ?
B15 B14 B19 60.6(8) . . ?
C3 B14 B13 59.3(7) . . ?
B18 B14 B13 60.1(8) . . ?
B15 B14 B13 106.6(10) . . ?
B19 B14 B13 108.3(11) . . ?
C3 B15 B20 106.3(10) . . ?
C3 B15 B14 59.2(7) . . ?
B20 B15 B14 107.0(11) . . ?
C3 B15 B16 60.7(7) . . ?
B20 B15 B16 61.0(8) . . ?
B14 B15 B16 110.1(10) . . ?
C3 B15 B19 106.4(10) . . ?
B20 B15 B19 59.5(9) . . ?
B14 B15 B19 59.8(8) . . ?
B16 B15 B19 110.1(11) . . ?
O1 B16 C3 120.7(11) . . ?
O1 B16 C4 119.2(10) . . ?
C3 B16 C4 57.0(6) . . ?
O1 B16 B15 126.4(11) . . ?
C3 B16 B15 56.7(7) . . ?
C4 B16 B15 102.4(9) . . ?
O1 B16 B20 131.7(11) . . ?
C3 B16 B20 101.7(10) . . ?
C4 B16 B20 102.3(10) . . ?
B15 B16 B20 58.9(8) . . ?
O1 B16 B21 124.0(11) . . ?
C3 B16 B21 103.0(9) . . ?
C4 B16 B21 57.8(7) . . ?
B15 B16 B21 105.8(10) . . ?
B20 B16 B21 59.1(8) . . ?
C4 B17 B22 105.7(10) . . ?
C4 B17 B21 59.8(7) . . ?
B22 B17 B21 60.4(9) . . ?
C4 B17 B18 105.1(10) . . ?
B22 B17 B18 59.7(9) . . ?
B21 B17 B18 108.5(11) . . ?
C4 B17 B13 57.8(7) . . ?
B22 B17 B13 108.5(11) . . ?
B21 B17 B13 108.4(10) . . ?
B18 B17 B13 60.9(8) . . ?
B22 B18 B17 59.9(8) . . ?
B22 B18 B14 108.8(11) . . ?
B17 B18 B14 108.8(10) . . ?
B22 B18 B19 61.0(9) . . ?
B17 B18 B19 109.5(11) . . ?
B14 B18 B19 60.5(8) . . ?
B22 B18 B13 107.7(10) . . ?
B17 B18 B13 59.8(8) . . ?
B14 B18 B13 60.5(8) . . ?
B19 B18 B13 109.2(10) . . ?
B20 B19 B18 105.6(11) . . ?
B20 B19 B22 59.1(9) . . ?
B18 B19 B22 58.5(9) . . ?
B20 B19 B14 106.5(10) . . ?
B18 B19 B14 59.6(8) . . ?
B22 B19 B14 106.2(11) . . ?
B20 B19 B15 59.1(8) . . ?
B18 B19 B15 106.2(10) . . ?
B22 B19 B15 105.8(11) . . ?
B14 B19 B15 59.6(8) . . ?
B22 B20 B15 109.1(12) . . ?
B22 B20 B19 61.0(9) . . ?
B15 B20 B19 61.4(9) . . ?
B22 B20 B21 59.5(8) . . ?
B15 B20 B21 108.5(10) . . ?
B19 B20 B21 109.6(11) . . ?
B22 B20 B16 109.7(10) . . ?
B15 B20 B16 60.1(8) . . ?
B19 B20 B16 111.0(11) . . ?
B21 B20 B16 61.3(8) . . ?
C4 B21 B17 59.4(7) . . ?
C4 B21 B22 104.9(11) . . ?
B17 B21 B22 59.7(9) . . ?
C4 B21 B20 103.8(10) . . ?
B17 B21 B20 106.8(11) . . ?
B22 B21 B20 59.3(9) . . ?
C4 B21 B16 59.2(7) . . ?
B17 B21 B16 109.1(10) . . ?
B22 B21 B16 108.2(11) . . ?
B20 B21 B16 59.7(8) . . ?
B18 B22 B17 60.4(9) . . ?
B18 B22 B20 107.8(12) . . ?
B17 B22 B20 108.6(11) . . ?
B18 B22 B21 108.7(11) . . ?
B17 B22 B21 60.0(8) . . ?
B20 B22 B21 61.2(9) . . ?
B18 B22 B19 60.4(9) . . ?
B17 B22 B19 109.5(12) . . ?
B20 B22 B19 59.9(9) . . ?
B21 B22 B19 110.0(11) . . ?
B16 O1 C7 122.6(10) . . ?
C8 C7 O1 115.7(16) . . ?
C21 Ir3 C20 39.2(4) . . ?
C21 Ir3 C22 38.3(4) . . ?
C20 Ir3 C22 64.1(5) . . ?
C21 Ir3 C23 64.0(4) . . ?
C20 Ir3 C23 64.1(4) . . ?
C22 Ir3 C23 37.2(4) . . ?
C21 Ir3 C19 64.1(4) . . ?
C20 Ir3 C19 38.0(4) . . ?
C22 Ir3 C19 62.9(4) . . ?
C23 Ir3 C19 38.1(4) . . ?
C21 Ir3 Se6 154.8(3) . . ?
C20 Ir3 Se6 121.4(3) . . ?
C22 Ir3 Se6 127.6(3) . . ?
C23 Ir3 Se6 94.2(3) . . ?
C19 Ir3 Se6 91.1(3) . . ?
C21 Ir3 Se5 109.7(3) . . ?
C20 Ir3 Se5 147.9(3) . . ?
C22 Ir3 Se5 96.1(3) . . ?
C23 Ir3 Se5 116.0(3) . . ?
C19 Ir3 Se5 154.0(3) . . ?
Se6 Ir3 Se5 90.66(4) . . ?
C21 Ir3 Se3 92.6(3) . . ?
C20 Ir3 Se3 91.2(3) . . ?
C22 Ir3 Se3 126.8(3) . . ?
C23 Ir3 Se3 154.3(3) . . ?
C19 Ir3 Se3 123.5(3) . . ?
Se6 Ir3 Se3 105.59(5) . . ?
Se5 Ir3 Se3 80.76(4) . . ?
C5 Se5 Ir2 115.6(3) . . ?
C5 Se5 Ir3 103.9(3) . . ?
Ir2 Se5 Ir3 98.33(4) . . ?
C6 Se6 Ir3 104.9(3) . . ?
C6 C5 B23 62.6(8) . . ?
C6 C5 B24 112.1(9) . . ?
B23 C5 B24 62.5(9) . . ?
C6 C5 B25 111.2(9) . . ?
B23 C5 B25 114.6(10) . . ?
B24 C5 B25 62.8(9) . . ?
C6 C5 B26 61.4(7) . . ?
B23 C5 B26 115.5(9) . . ?
B24 C5 B26 114.8(10) . . ?
B25 C5 B26 62.4(8) . . ?
C6 C5 Se5 118.8(7) . . ?
B23 C5 Se5 121.4(8) . . ?
B24 C5 Se5 122.4(8) . . ?
B25 C5 Se5 116.8(8) . . ?
B26 C5 Se5 112.0(8) . . ?
C5 C6 B27 110.9(9) . . ?
C5 C6 B26 61.0(7) . . ?
B27 C6 B26 114.1(10) . . ?
C5 C6 B31 110.2(9) . . ?
B27 C6 B31 63.6(8) . . ?
B26 C6 B31 61.5(8) . . ?
C5 C6 B23 59.9(7) . . ?
B27 C6 B23 63.8(8) . . ?
B26 C6 B23 112.8(9) . . ?
B31 C6 B23 115.4(10) . . ?
C5 C6 Se6 117.7(7) . . ?
B27 C6 Se6 120.5(9) . . ?
B26 C6 Se6 118.4(8) . . ?
B31 C6 Se6 122.5(8) . . ?
B23 C6 Se6 115.2(8) . . ?
C5 B23 C6 57.5(7) . . ?
C5 B23 B28 104.1(11) . . ?
C6 B23 B28 104.4(10) . . ?
C5 B23 B24 58.8(8) . . ?
C6 B23 B24 105.2(11) . . ?
B28 B23 B24 59.4(9) . . ?
C5 B23 B27 103.0(10) . . ?
C6 B23 B27 56.4(8) . . ?
B28 B23 B27 61.6(8) . . ?
B24 B23 B27 108.3(11) . . ?
C5 B24 B28 104.4(11) . . ?
C5 B24 B23 58.6(8) . . ?
B28 B24 B23 60.1(9) . . ?
C5 B24 B25 58.6(8) . . ?
B28 B24 B25 107.7(11) . . ?
B23 B24 B25 108.0(11) . . ?
C5 B24 B29 104.3(11) . . ?
B28 B24 B29 60.0(9) . . ?
B23 B24 B29 108.1(11) . . ?
B25 B24 B29 59.6(9) . . ?
C5 B25 B26 59.1(7) . . ?
C5 B25 B29 105.0(12) . . ?
B26 B25 B29 108.5(12) . . ?
C5 B25 B24 58.6(8) . . ?
B26 B25 B24 108.7(11) . . ?
B29 B25 B24 60.5(9) . . ?
C5 B25 B30 104.6(10) . . ?
B26 B25 B30 59.4(8) . . ?
B29 B25 B30 60.8(9) . . ?
B24 B25 B30 109.0(12) . . ?
C5 B26 C6 57.6(7) . . ?
C5 B26 B30 105.1(10) . . ?
C6 B26 B30 104.7(11) . . ?
C5 B26 B31 105.7(10) . . ?
C6 B26 B31 59.3(8) . . ?
B30 B26 B31 59.4(9) . . ?
C5 B26 B25 58.5(7) . . ?
C6 B26 B25 105.1(10) . . ?
B30 B26 B25 60.7(9) . . ?
B31 B26 B25 108.5(11) . . ?
C6 B27 B32 105.7(11) . . ?
C6 B27 B31 59.4(8) . . ?
B32 B27 B31 60.6(9) . . ?
C6 B27 B23 59.8(7) . . ?
B32 B27 B23 106.7(11) . . ?
B31 B27 B23 108.8(11) . . ?
C6 B27 B28 104.1(10) . . ?
B32 B27 B28 59.7(8) . . ?
B31 B27 B28 107.8(11) . . ?
B23 B27 B28 57.8(8) . . ?
B24 B28 B23 60.5(8) . . ?
B24 B28 B29 61.1(9) . . ?
B23 B28 B29 109.3(11) . . ?
B24 B28 B32 108.7(11) . . ?
B23 B28 B32 108.2(11) . . ?
B29 B28 B32 59.7(9) . . ?
B24 B28 B27 108.4(11) . . ?
B23 B28 B27 60.6(8) . . ?
B29 B28 B27 106.9(11) . . ?
B32 B28 B27 58.8(9) . . ?
B28 B29 B25 106.9(11) . . ?
B28 B29 B32 60.9(9) . . ?
B25 B29 B32 107.6(12) . . ?
B28 B29 B24 58.9(9) . . ?
B25 B29 B24 59.8(9) . . ?
B32 B29 B24 107.8(12) . . ?
B28 B29 B30 108.1(12) . . ?
B25 B29 B30 59.9(9) . . ?
B32 B29 B30 59.8(10) . . ?
B24 B29 B30 107.8(11) . . ?
B31 B30 B26 60.3(8) . . ?
B31 B30 B32 61.4(9) . . ?
B26 B30 B32 108.3(11) . . ?
B31 B30 B25 108.6(10) . . ?
B26 B30 B25 59.9(8) . . ?
B32 B30 B25 106.8(11) . . ?
B31 B30 B29 109.3(12) . . ?
B26 B30 B29 107.7(10) . . ?
B32 B30 B29 59.4(10) . . ?
B25 B30 B29 59.3(9) . . ?
C6 B31 B30 105.3(10) . . ?
C6 B31 B26 59.2(7) . . ?
B30 B31 B26 60.3(9) . . ?
C6 B31 B27 57.1(7) . . ?
B30 B31 B27 107.9(12) . . ?
B26 B31 B27 106.9(10) . . ?
C6 B31 B32 102.9(10) . . ?
B30 B31 B32 60.2(9) . . ?
B26 B31 B32 107.3(11) . . ?
B27 B31 B32 59.3(9) . . ?
B29 B32 B27 109.0(10) . . ?
B29 B32 B30 60.8(10) . . ?
B27 B32 B30 107.1(10) . . ?
B29 B32 B28 59.5(9) . . ?
B27 B32 B28 61.6(9) . . ?
B30 B32 B28 107.8(11) . . ?
B29 B32 B31 108.0(11) . . ?
B27 B32 B31 60.2(9) . . ?
B30 B32 B31 58.4(9) . . ?
B28 B32 B31 109.0(10) . . ?
C20 C19 C23 108.7(10) . . ?
C20 C19 C24 125.4(11) . . ?
C23 C19 C24 125.9(11) . . ?
C20 C19 Ir3 70.0(6) . . ?
C23 C19 Ir3 71.0(6) . . ?
C24 C19 Ir3 124.6(8) . . ?
C19 C20 C21 107.3(10) . . ?
C19 C20 C25 125.6(12) . . ?
C21 C20 C25 126.9(12) . . ?
C19 C20 Ir3 72.1(6) . . ?
C21 C20 Ir3 70.4(6) . . ?
C25 C20 Ir3 126.9(8) . . ?
C22 C21 C20 106.8(10) . . ?
C22 C21 C26 127.8(12) . . ?
C20 C21 C26 124.9(12) . . ?
C22 C21 Ir3 71.9(6) . . ?
C20 C21 Ir3 70.4(6) . . ?
C26 C21 Ir3 129.3(9) . . ?
C23 C22 C21 109.4(11) . . ?
C23 C22 C27 127.0(12) . . ?
C21 C22 C27 123.6(12) . . ?
C23 C22 Ir3 71.4(7) . . ?
C21 C22 Ir3 69.8(6) . . ?
C27 C22 Ir3 126.1(9) . . ?
C22 C23 C19 107.8(10) . . ?
C22 C23 C28 126.5(12) . . ?
C19 C23 C28 125.1(11) . . ?
C22 C23 Ir3 71.3(7) . . ?
C19 C23 Ir3 71.0(6) . . ?
C28 C23 Ir3 130.0(9) . . ?
C29 C30 C31 137(2) . . ?
C29 C30 C35 103(2) . . ?
C31 C30 C35 120.0 . . ?
C32 C31 C30 120.0 . . ?
C31 C32 C33 120.0 . . ?
C34 C33 C32 120.0 . . ?
C35 C34 C33 120.0 . . ?
C34 C35 C30 120.0 . . ?
C36 C37 C38 117(3) . . ?
C36 C37 C42 123(3) . . ?
C38 C37 C42 120.0 . . ?
C37 C38 C39 120.0 . . ?
C38 C39 C40 120.0 . . ?
C41 C40 C39 120.0 . . ?
C42 C41 C40 120.0 . . ?
C41 C42 C37 120.0 . . ?
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 C13 2.172(10) . ?
Ir1 C9 2.174(12) . ?
Ir1 C12 2.189(11) . ?
Ir1 C10 2.190(11) . ?
Ir1 C11 2.200(13) . ?
Ir1 Se2 2.4625(13) . ?
Ir1 Se1 2.4937(13) . ?
Ir1 Se4 2.5291(13) . ?
Se1 C1 1.956(10) . ?
Se1 Ir2 2.4916(13) . ?
Se2 C2 1.964(10) . ?
Se2 Ir2 2.5492(12) . ?
C1 C2 1.635(14) . ?
C1 B5 1.647(16) . ?
C1 B4 1.672(17) . ?
C1 B6 1.698(15) . ?
C1 B3 1.792(15) . ?
C2 B7 1.651(16) . ?
C2 B8 1.682(18) . ?
C2 B6 1.716(15) . ?
C2 B3 1.780(16) . ?
B3 B9 1.776(18) . ?
B3 B8 1.785(18) . ?
B3 B4 1.804(17) . ?
B3 Ir2 2.106(12) . ?
B4 B9 1.75(2) . ?
B4 B10 1.75(2) . ?
B4 B5 1.761(19) . ?
B5 B11 1.75(2) . ?
B5 B10 1.76(2) . ?
B5 B6 1.770(19) . ?
B6 B11 1.75(2) . ?
B6 B7 1.759(19) . ?
B7 B12 1.76(2) . ?
B7 B11 1.786(19) . ?
B7 B8 1.79(2) . ?
B8 B9 1.77(2) . ?
B8 B12 1.77(2) . ?
B9 B10 1.78(2) . ?
B9 B12 1.784(19) . ?
B10 B11 1.730(19) . ?
B10 B12 1.77(2) . ?
B11 B12 1.78(2) . ?
C9 C10 1.417(17) . ?
C9 C13 1.423(16) . ?
C9 C14 1.508(17) . ?
C10 C11 1.436(17) . ?
C10 C15 1.481(16) . ?
C11 C12 1.433(17) . ?
C11 C16 1.490(17) . ?
C12 C13 1.447(16) . ?
C12 C17 1.529(16) . ?
C13 C18 1.509(16) . ?
Ir2 Se3 2.4271(13) . ?
Ir2 Se5 2.4300(12) . ?
Ir2 Se4 2.5491(14) . ?
Se3 C3 1.996(10) . ?
Se3 Ir3 2.4966(12) . ?
Se4 C4 1.974(11) . ?
C3 C4 1.676(15) . ?
C3 B15 1.680(17) . ?
C3 B14 1.713(17) . ?
C3 B13 1.735(16) . ?
C3 B16 1.753(16) . ?
C4 B13 1.687(17) . ?
C4 B17 1.727(17) . ?
C4 B21 1.733(18) . ?
C4 B16 1.759(16) . ?
B13 B17 1.76(2) . ?
B13 B18 1.784(19) . ?
B13 B14 1.793(19) . ?
B14 B18 1.77(2) . ?
B14 B15 1.78(2) . ?
B14 B19 1.79(2) . ?
B15 B20 1.76(2) . ?
B15 B16 1.783(19) . ?
B15 B19 1.80(2) . ?
B16 O1 1.346(16) . ?
B16 B20 1.80(2) . ?
B16 B21 1.83(2) . ?
B17 B22 1.75(2) . ?
B17 B21 1.75(2) . ?
B17 B18 1.76(2) . ?
B18 B22 1.74(2) . ?
B18 B19 1.78(2) . ?
B19 B20 1.77(2) . ?
B19 B22 1.79(2) . ?
B20 B22 1.75(2) . ?
B20 B21 1.79(2) . ?
B21 B22 1.76(2) . ?
O1 C7 1.474(16) . ?
C7 C8 1.39(2) . ?
Ir3 C21 2.196(11) . ?
Ir3 C20 2.197(10) . ?
Ir3 C22 2.223(11) . ?
Ir3 C23 2.225(11) . ?
Ir3 C19 2.225(11) . ?
Ir3 Se6 2.4707(13) . ?
Ir3 Se5 2.4748(13) . ?
Se5 C5 1.988(11) . ?
Se6 C6 1.946(11) . ?
C5 C6 1.648(15) . ?
C5 B23 1.691(19) . ?
C5 B24 1.695(18) . ?
C5 B25 1.695(17) . ?
C5 B26 1.706(17) . ?
C6 B27 1.672(18) . ?
C6 B26 1.713(19) . ?
C6 B31 1.714(16) . ?
C6 B23 1.735(19) . ?
B23 B28 1.75(2) . ?
B23 B24 1.76(2) . ?
B23 B27 1.801(19) . ?
B24 B28 1.74(2) . ?
B24 B25 1.77(2) . ?
B24 B29 1.78(2) . ?
B25 B26 1.76(2) . ?
B25 B29 1.76(2) . ?
B25 B30 1.77(2) . ?
B26 B30 1.75(2) . ?
B26 B31 1.75(2) . ?
B27 B32 1.77(2) . ?
B27 B31 1.78(2) . ?
B27 B28 1.82(2) . ?
B28 B29 1.76(2) . ?
B28 B32 1.78(2) . ?
B29 B32 1.76(2) . ?
B29 B30 1.79(2) . ?
B30 B31 1.74(2) . ?
B30 B32 1.77(2) . ?
B31 B32 1.79(2) . ?
C19 C20 1.438(16) . ?
C19 C23 1.451(16) . ?
C19 C24 1.518(16) . ?
C20 C21 1.473(16) . ?
C20 C25 1.498(16) . ?
C21 C22 1.449(16) . ?
C21 C26 1.498(16) . ?
C22 C23 1.420(16) . ?
C22 C27 1.496(16) . ?
C23 C28 1.470(16) . ?
C29 C30 1.07(4) . ?
C30 C31 1.3900 . ?
C30 C35 1.3900 . ?
C31 C32 1.3900 . ?
C32 C33 1.3900 . ?
C33 C34 1.3900 . ?
C34 C35 1.3900 . ?
C36 C37 1.00(4) . ?
C37 C38 1.3900 . ?
C37 C42 1.3900 . ?
C38 C39 1.3900 . ?
C39 C40 1.3900 . ?
C40 C41 1.3900 . ?
C41 C42 1.3900 . ?
