#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:36:24 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179253 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/73/4317338.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_4317338
loop_
_publ_author_name
'Md Hosnay Mobarok'
'Okemona Oke'
'Michael J. Ferguson'
'Robert McDonald'
'Martin Cowie'
_publ_section_title
;
 Multiple Silicon-Hydrogen Bond Activations at Adjacent Rhodium and
 Iridium Centers
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11556
_journal_page_last               11572
_journal_paper_doi               10.1021/ic1017196
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         'C61 H58 Ir O2 P4 Rh Si, 0.25(C H2 Cl2)'
_chemical_formula_sum            'C61.25 H58.5 Cl0.5 Ir O2 P4 Rh Si'
_chemical_formula_weight         1291.39
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 100.4443(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   23.3576(8)
_cell_length_b                   19.2433(7)
_cell_length_c                   24.8837(8)
_cell_measurement_reflns_used    9363
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.47
_cell_measurement_theta_min      2.28
_cell_volume                     10999.3(7)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'DIRDIF-2008 (Beurskens et al., 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'ω 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  0.0156
_diffrn_reflns_av_sigmaI/netI    0.0130
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            95522
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.53
_exptl_absorpt_coefficient_mu    2.923
_exptl_absorpt_correction_T_max  0.6817
_exptl_absorpt_correction_T_min  0.2540
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.560
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             5172
_exptl_crystal_size_max          0.65
_exptl_crystal_size_mid          0.57
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.691
_refine_diff_density_min         -0.639
_refine_diff_density_rms         0.063
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1313
_refine_ls_number_reflns         25177
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0217
_refine_ls_R_factor_gt           0.0179
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0227P)²+8.1710P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0454
_refine_ls_wR_factor_ref         0.0473
_reflns_number_gt                22869
_reflns_number_total             25177
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic1017196_si_002_1.cif
_cod_data_source_block           compound5
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4317338
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
Ir1A Ir 0.139369(3) 0.290151(4) 0.366516(3) 0.01603(2) Uani 0.80 1 d P A 1
Rh2A Rh 0.139369(3) 0.290151(4) 0.366516(3) 0.01603(2) Uani 0.20 1 d P A 2
Rh1A Rh 0.153297(5) 0.192938(5) 0.454398(4) 0.01666(3) Uani 0.80 1 d P A 1
Ir2A Ir 0.153297(5) 0.192938(5) 0.454398(4) 0.01666(3) Uani 0.20 1 d P A 2
H1A H 0.1554(11) 0.3404(14) 0.4162(10) 0.049(7) Uiso 1 1 d . . .
H2A H 0.1391(12) 0.2517(14) 0.4882(11) 0.053(8) Uiso 1 1 d . . .
P1A P 0.11888(2) 0.19981(2) 0.302553(17) 0.01730(8) Uani 1 1 d . . .
P2A P 0.165947(19) 0.10181(2) 0.395334(17) 0.01798(8) Uani 1 1 d . . .
P3A P 0.24003(2) 0.29564(2) 0.365833(18) 0.01783(8) Uani 1 1 d . . .
P4A P 0.25032(2) 0.23085(2) 0.477447(18) 0.01888(9) Uani 1 1 d . . .
Si1A Si 0.06790(2) 0.25694(2) 0.417425(19) 0.01828(9) Uani 1 1 d . . .
H1SI H 0.0112(8) 0.2245(10) 0.3889(8) 0.014(3) Uiso 1 1 d . . .
O1A O 0.07749(7) 0.40767(8) 0.30015(7) 0.0425(4) Uani 1 1 d . A .
O2A O 0.11701(8) 0.10767(8) 0.54409(6) 0.0393(4) Uani 1 1 d . A .
C1A C 0.10244(8) 0.36262(9) 0.32429(7) 0.0238(4) Uani 1 1 d . . .
C2A C 0.13142(9) 0.13804(10) 0.50915(7) 0.0249(4) Uani 1 1 d . . .
C3A C 0.16555(8) 0.12474(9) 0.32350(7) 0.0199(3) Uani 1 1 d . A .
H3AA H 0.2058 0.1354 0.3186 0.024 Uiso 1 1 calc R . .
H3BA H 0.1515 0.0846 0.2999 0.024 Uiso 1 1 calc R . .
C4A C 0.28446(8) 0.23966(9) 0.41690(7) 0.0201(3) Uani 1 1 d . A .
H4AA H 0.2886 0.1932 0.4009 0.024 Uiso 1 1 calc R . .
H4BA H 0.3238 0.2600 0.4276 0.024 Uiso 1 1 calc R . .
C11A C 0.12984(8) 0.21531(9) 0.23231(7) 0.0209(3) Uani 1 1 d . A .
C12A C 0.10164(9) 0.27164(11) 0.20354(8) 0.0274(4) Uani 1 1 d . . .
H12A H 0.0802 0.3032 0.2216 0.033 Uiso 1 1 calc R A .
C13A C 0.10447(10) 0.28218(11) 0.14912(8) 0.0326(4) Uani 1 1 d . A .
H13A H 0.0850 0.3207 0.1301 0.039 Uiso 1 1 calc R . .
C14A C 0.13574(11) 0.23661(12) 0.12220(8) 0.0369(5) Uani 1 1 d . . .
H14A H 0.1371 0.2433 0.0846 0.044 Uiso 1 1 calc R A .
C15A C 0.16466(12) 0.18181(12) 0.15042(9) 0.0403(5) Uani 1 1 d . A .
H15A H 0.1869 0.1512 0.1324 0.048 Uiso 1 1 calc R . .
C16A C 0.16163(10) 0.17081(10) 0.20508(8) 0.0314(4) Uani 1 1 d . . .
H16A H 0.1815 0.1324 0.2240 0.038 Uiso 1 1 calc R A .
C21A C 0.04495(8) 0.16486(9) 0.28517(7) 0.0210(3) Uani 1 1 d . A .
C22A C -0.00072(9) 0.21256(10) 0.27354(8) 0.0284(4) Uani 1 1 d . . .
H22A H 0.0068 0.2607 0.2799 0.034 Uiso 1 1 calc R A .
C23A C -0.05658(9) 0.19057(12) 0.25290(9) 0.0341(5) Uani 1 1 d . A .
H23A H -0.0869 0.2237 0.2436 0.041 Uiso 1 1 calc R . .
C24A C -0.06856(9) 0.12029(12) 0.24564(9) 0.0344(5) Uani 1 1 d . . .
H24A H -0.1072 0.1052 0.2320 0.041 Uiso 1 1 calc R A .
C25A C -0.02430(10) 0.07245(11) 0.25824(8) 0.0336(5) Uani 1 1 d . A .
H25A H -0.0326 0.0242 0.2540 0.040 Uiso 1 1 calc R . .
C26A C 0.03241(9) 0.09455(10) 0.27717(8) 0.0270(4) Uani 1 1 d . . .
H26A H 0.0629 0.0613 0.2847 0.032 Uiso 1 1 calc R A .
C31A C 0.11661(8) 0.02630(9) 0.38926(7) 0.0209(3) Uani 1 1 d . A .
C32A C 0.06550(8) 0.02798(10) 0.41029(8) 0.0251(4) Uani 1 1 d . . .
H32A H 0.0551 0.0689 0.4275 0.030 Uiso 1 1 calc R A .
C33A C 0.02940(9) -0.03013(11) 0.40621(9) 0.0308(4) Uani 1 1 d . A .
H33A H -0.0054 -0.0287 0.4209 0.037 Uiso 1 1 calc R . .
C34A C 0.04397(9) -0.08978(11) 0.38084(9) 0.0344(5) Uani 1 1 d . . .
H34A H 0.0192 -0.1293 0.3780 0.041 Uiso 1 1 calc R A .
C35A C 0.09467(10) -0.09191(11) 0.35958(9) 0.0341(5) Uani 1 1 d . A .
H35A H 0.1047 -0.1328 0.3420 0.041 Uiso 1 1 calc R . .
C36A C 0.13092(9) -0.03422(10) 0.36392(8) 0.0280(4) Uani 1 1 d . . .
H36A H 0.1659 -0.0360 0.3495 0.034 Uiso 1 1 calc R A .
C41A C 0.23533(8) 0.05553(9) 0.41367(8) 0.0237(4) Uani 1 1 d . A .
C42A C 0.24919(9) 0.03258(10) 0.46778(9) 0.0313(4) Uani 1 1 d . . .
H42A H 0.2238 0.0429 0.4925 0.038 Uiso 1 1 calc R A .
C43A C 0.29957(10) -0.00497(11) 0.48573(10) 0.0425(6) Uani 1 1 d . A .
H43A H 0.3083 -0.0209 0.5224 0.051 Uiso 1 1 calc R . .
C44A C 0.33700(10) -0.01917(13) 0.45038(12) 0.0491(6) Uani 1 1 d . . .
H44A H 0.3716 -0.0448 0.4628 0.059 Uiso 1 1 calc R A .
C45A C 0.32459(10) 0.00347(13) 0.39714(11) 0.0458(6) Uani 1 1 d . A .
H45A H 0.3509 -0.0060 0.3731 0.055 Uiso 1 1 calc R . .
C46A C 0.27320(9) 0.04058(11) 0.37837(9) 0.0345(5) Uani 1 1 d . . .
H46A H 0.2643 0.0555 0.3414 0.041 Uiso 1 1 calc R A .
C51A C 0.26747(8) 0.27375(10) 0.30368(7) 0.0220(3) Uani 1 1 d . A .
C52A C 0.24628(8) 0.31424(10) 0.25763(8) 0.0254(4) Uani 1 1 d . . .
H52A H 0.2195 0.3507 0.2603 0.031 Uiso 1 1 calc R A .
C53A C 0.26360(9) 0.30203(12) 0.20852(8) 0.0332(5) Uani 1 1 d . A .
H53A H 0.2489 0.3301 0.1777 0.040 Uiso 1 1 calc R . .
C54A C 0.30246(10) 0.24890(14) 0.20390(9) 0.0413(5) Uani 1 1 d . . .
H54A H 0.3142 0.2403 0.1699 0.050 Uiso 1 1 calc R A .
C55A C 0.32400(11) 0.20850(14) 0.24886(10) 0.0449(6) Uani 1 1 d . A .
H55A H 0.3507 0.1721 0.2458 0.054 Uiso 1 1 calc R . .
C56A C 0.30672(9) 0.22086(12) 0.29863(8) 0.0331(5) Uani 1 1 d . . .
H56A H 0.3219 0.1929 0.3294 0.040 Uiso 1 1 calc R A .
C61A C 0.27711(8) 0.37951(9) 0.38226(7) 0.0232(4) Uani 1 1 d . A .
C62A C 0.24817(9) 0.43701(10) 0.39806(8) 0.0279(4) Uani 1 1 d . . .
H62A H 0.2075 0.4347 0.3980 0.034 Uiso 1 1 calc R A .
C63A C 0.27881(11) 0.49807(11) 0.41406(9) 0.0364(5) Uani 1 1 d . A .
H63A H 0.2589 0.5374 0.4246 0.044 Uiso 1 1 calc R . .
C64A C 0.33818(11) 0.50163(11) 0.41467(9) 0.0388(5) Uani 1 1 d . . .
H64A H 0.3591 0.5427 0.4268 0.047 Uiso 1 1 calc R A .
C65A C 0.36687(10) 0.44543(12) 0.39761(9) 0.0368(5) Uani 1 1 d . A .
H65A H 0.4074 0.4483 0.3971 0.044 Uiso 1 1 calc R . .
C66A C 0.33667(9) 0.38476(11) 0.38121(8) 0.0303(4) Uani 1 1 d . . .
H66A H 0.3566 0.3464 0.3692 0.036 Uiso 1 1 calc R A .
C71A C 0.26259(9) 0.31753(9) 0.50941(7) 0.0231(4) Uani 1 1 d . A .
C72A C 0.21737(9) 0.35632(10) 0.52365(7) 0.0265(4) Uani 1 1 d . . .
H72A H 0.1790 0.3379 0.5172 0.032 Uiso 1 1 calc R A .
C73A C 0.22750(10) 0.42168(10) 0.54718(8) 0.0329(4) Uani 1 1 d . A .
H73A H 0.1962 0.4475 0.5567 0.039 Uiso 1 1 calc R . .
C74A C 0.28309(11) 0.44910(11) 0.55670(9) 0.0365(5) Uani 1 1 d . . .
H74A H 0.2901 0.4937 0.5730 0.044 Uiso 1 1 calc R A .
C75A C 0.32842(10) 0.41160(11) 0.54248(9) 0.0359(5) Uani 1 1 d . A .
H75A H 0.3665 0.4307 0.5484 0.043 Uiso 1 1 calc R . .
C76A C 0.31846(9) 0.34596(10) 0.51960(8) 0.0302(4) Uani 1 1 d . . .
H76A H 0.3501 0.3200 0.5107 0.036 Uiso 1 1 calc R A .
C81A C 0.30574(8) 0.18056(9) 0.52360(7) 0.0231(4) Uani 1 1 d . A .
C82A C 0.29065(9) 0.15433(10) 0.57130(8) 0.0281(4) Uani 1 1 d . . .
H82A H 0.2527 0.1624 0.5786 0.034 Uiso 1 1 calc R A .
C83A C 0.33025(10) 0.11658(11) 0.60824(8) 0.0343(5) Uani 1 1 d . A .
H83A H 0.3193 0.0994 0.6407 0.041 Uiso 1 1 calc R . .
C84A C 0.38512(10) 0.10391(12) 0.59833(9) 0.0396(5) Uani 1 1 d . . .
H84A H 0.4121 0.0777 0.6236 0.048 Uiso 1 1 calc R A .
C85A C 0.40078(11) 0.12970(14) 0.55126(10) 0.0480(6) Uani 1 1 d . A .
H85A H 0.4389 0.1214 0.5443 0.058 Uiso 1 1 calc R . .
C86A C 0.36143(10) 0.16757(12) 0.51410(9) 0.0375(5) Uani 1 1 d . . .
H86A H 0.3727 0.1848 0.4818 0.045 Uiso 1 1 calc R A .
C91A C 0.03652(8) 0.31047(9) 0.47075(7) 0.0213(3) Uani 1 1 d . A .
C92A C 0.00500(8) 0.27224(10) 0.50457(8) 0.0256(4) Uani 1 1 d . . .
C93A C -0.00957(9) 0.30277(12) 0.55108(8) 0.0324(4) Uani 1 1 d . A .
H93A H -0.0305 0.2761 0.5732 0.039 Uiso 1 1 calc R . .
C94A C 0.00532(10) 0.37058(12) 0.56617(8) 0.0349(5) Uani 1 1 d . . .
C95A C 0.03232(9) 0.40933(11) 0.53110(8) 0.0330(4) Uani 1 1 d . A .
H95A H 0.0409 0.4568 0.5395 0.040 Uiso 1 1 calc R . .
C96A C 0.04747(8) 0.38130(10) 0.48371(8) 0.0253(4) Uani 1 1 d . . .
C97A C -0.01516(10) 0.19871(11) 0.49219(9) 0.0358(5) Uani 1 1 d . A .
H97A H -0.0339 0.1813 0.5217 0.043 Uiso 1 1 calc R . .
H97B H 0.0184 0.1693 0.4891 0.043 Uiso 1 1 calc R . .
H97C H -0.0431 0.1976 0.4577 0.043 Uiso 1 1 calc R . .
C98A C -0.00731(13) 0.39998(16) 0.61912(10) 0.0548(7) Uani 1 1 d . A .
H98A H -0.0486 0.3935 0.6206 0.066 Uiso 1 1 calc R . .
H98B H 0.0020 0.4497 0.6212 0.066 Uiso 1 1 calc R . .
H98C H 0.0165 0.3758 0.6500 0.066 Uiso 1 1 calc R . .
C99A C 0.07333(10) 0.43095(10) 0.44770(9) 0.0343(5) Uani 1 1 d . A .
H99A H 0.0648 0.4788 0.4571 0.041 Uiso 1 1 calc R . .
H99B H 0.0564 0.4220 0.4093 0.041 Uiso 1 1 calc R . .
H99C H 0.1156 0.4243 0.4533 0.041 Uiso 1 1 calc R . .
Ir1B Ir 0.651694(3) 0.295224(4) 0.257276(3) 0.01691(2) Uani 0.75 1 d P B 1
Rh2B Rh 0.651694(3) 0.295224(4) 0.257276(3) 0.01691(2) Uani 0.25 1 d P B 2
Rh1B Rh 0.666571(4) 0.191009(5) 0.339592(4) 0.01548(2) Uani 0.75 1 d P B 1
Ir2B Ir 0.666571(4) 0.191009(5) 0.339592(4) 0.01548(2) Uani 0.25 1 d P B 2
H1B H 0.6737(10) 0.3381(12) 0.3094(9) 0.037(6) Uiso 1 1 d . . .
H2B H 0.6600(11) 0.2517(14) 0.3773(11) 0.050(7) Uiso 1 1 d . . .
P1B P 0.62079(2) 0.21298(2) 0.188398(18) 0.01775(8) Uani 1 1 d . . .
P2B P 0.668059(19) 0.10365(2) 0.274048(17) 0.01699(8) Uani 1 1 d . . .
P3B P 0.750057(19) 0.29512(2) 0.249840(18) 0.01706(8) Uani 1 1 d . . .
P4B P 0.766878(19) 0.21561(2) 0.356499(17) 0.01683(8) Uani 1 1 d . . .
Si1B Si 0.58219(2) 0.25839(3) 0.309566(19) 0.01960(9) Uani 1 1 d . . .
H2SI H 0.5295(8) 0.2264(10) 0.2805(8) 0.014(3) Uiso 1 1 d . . .
O1B O 0.60506(8) 0.42684(9) 0.20013(8) 0.0494(5) Uani 1 1 d . B .
O2B O 0.62144(7) 0.09859(9) 0.42040(6) 0.0402(4) Uani 1 1 d . B .
C1B C 0.62240(8) 0.37597(10) 0.22074(8) 0.0265(4) Uani 1 1 d . . .
C2B C 0.64071(8) 0.13257(10) 0.39013(7) 0.0248(4) Uani 1 1 d . . .
C3B C 0.66294(8) 0.13285(9) 0.20277(7) 0.0191(3) Uani 1 1 d . B .
H3AB H 0.7027 0.1405 0.1953 0.023 Uiso 1 1 calc R . .
H3BB H 0.6445 0.0958 0.1779 0.023 Uiso 1 1 calc R . .
C4B C 0.79411(7) 0.22972(9) 0.29253(7) 0.0186(3) Uani 1 1 d . B .
H4AB H 0.8351 0.2454 0.3010 0.022 Uiso 1 1 calc R . .
H4BB H 0.7929 0.1854 0.2722 0.022 Uiso 1 1 calc R . .
C11B C 0.62859(8) 0.23210(9) 0.11773(7) 0.0218(4) Uani 1 1 d . B .
C12B C 0.59751(10) 0.28803(11) 0.09114(8) 0.0325(4) Uani 1 1 d . . .
H12B H 0.5767 0.3182 0.1110 0.039 Uiso 1 1 calc R B .
C13B C 0.59663(11) 0.30006(12) 0.03612(9) 0.0401(5) Uani 1 1 d . B .
H13B H 0.5750 0.3381 0.0185 0.048 Uiso 1 1 calc R . .
C14B C 0.62697(11) 0.25709(12) 0.00684(8) 0.0394(5) Uani 1 1 d . . .
H14B H 0.6257 0.2648 -0.0311 0.047 Uiso 1 1 calc R B .
C15B C 0.65904(11) 0.20302(12) 0.03294(9) 0.0382(5) Uani 1 1 d . B .
H15B H 0.6808 0.1740 0.0131 0.046 Uiso 1 1 calc R . .
C16B C 0.65988(9) 0.19052(10) 0.08799(8) 0.0280(4) Uani 1 1 d . . .
H16B H 0.6822 0.1529 0.1055 0.034 Uiso 1 1 calc R B .
C21B C 0.54432(8) 0.18673(10) 0.17436(7) 0.0236(4) Uani 1 1 d . B .
C22B C 0.50210(9) 0.23860(12) 0.17254(9) 0.0334(4) Uani 1 1 d . . .
H22B H 0.5138 0.2855 0.1798 0.040 Uiso 1 1 calc R B .
C23B C 0.44334(10) 0.22253(15) 0.16036(10) 0.0427(6) Uani 1 1 d . B .
H23B H 0.4151 0.2584 0.1583 0.051 Uiso 1 1 calc R . .
C24B C 0.42595(10) 0.15477(15) 0.15128(9) 0.0459(6) Uani 1 1 d . . .
H24B H 0.3857 0.1436 0.1441 0.055 Uiso 1 1 calc R B .
C25B C 0.46695(10) 0.10275(14) 0.15257(9) 0.0428(6) Uani 1 1 d . B .
H25B H 0.4548 0.0559 0.1461 0.051 Uiso 1 1 calc R . .
C26B C 0.52629(9) 0.11894(11) 0.16347(8) 0.0303(4) Uani 1 1 d . . .
H26B H 0.5543 0.0832 0.1634 0.036 Uiso 1 1 calc R B .
C31B C 0.61258(8) 0.03515(9) 0.26794(7) 0.0220(4) Uani 1 1 d . B .
C32B C 0.55994(8) 0.04786(10) 0.28460(8) 0.0279(4) Uani 1 1 d . . .
H32B H 0.5536 0.0910 0.3011 0.033 Uiso 1 1 calc R B .
C33B C 0.51629(9) -0.00254(12) 0.27724(9) 0.0360(5) Uani 1 1 d . B .
H33B H 0.4803 0.0066 0.2886 0.043 Uiso 1 1 calc R . .
C34B C 0.52501(10) -0.06548(12) 0.25362(9) 0.0386(5) Uani 1 1 d . . .
H34B H 0.4951 -0.0996 0.2486 0.046 Uiso 1 1 calc R B .
C35B C 0.57740(11) -0.07902(12) 0.23718(10) 0.0401(5) Uani 1 1 d . B .
H35B H 0.5835 -0.1225 0.2211 0.048 Uiso 1 1 calc R . .
C36B C 0.62098(9) -0.02906(11) 0.24422(8) 0.0314(4) Uani 1 1 d . . .
H36B H 0.6569 -0.0386 0.2328 0.038 Uiso 1 1 calc R B .
C41B C 0.73371(8) 0.04929(9) 0.28306(8) 0.0220(4) Uani 1 1 d . B .
C42B C 0.75059(9) 0.01797(10) 0.33416(8) 0.0301(4) Uani 1 1 d . . .
H42B H 0.7289 0.0264 0.3623 0.036 Uiso 1 1 calc R B .
C43B C 0.79889(10) -0.02542(11) 0.34408(10) 0.0393(5) Uani 1 1 d . B .
H43B H 0.8096 -0.0473 0.3787 0.047 Uiso 1 1 calc R . .
C44B C 0.83145(10) -0.03691(11) 0.30384(11) 0.0430(6) Uani 1 1 d . . .
H44B H 0.8650 -0.0658 0.3111 0.052 Uiso 1 1 calc R B .
C45B C 0.81539(9) -0.00659(11) 0.25336(10) 0.0377(5) Uani 1 1 d . B .
H45B H 0.8378 -0.0147 0.2257 0.045 Uiso 1 1 calc R . .
C46B C 0.76639(9) 0.03604(10) 0.24258(9) 0.0289(4) Uani 1 1 d . . .
H46B H 0.7552 0.0562 0.2074 0.035 Uiso 1 1 calc R B .
C51B C 0.77080(8) 0.28193(9) 0.18284(7) 0.0204(3) Uani 1 1 d . B .
C52B C 0.75220(9) 0.33188(10) 0.14249(8) 0.0276(4) Uani 1 1 d . . .
H52B H 0.7295 0.3702 0.1506 0.033 Uiso 1 1 calc R B .
C53B C 0.76641(10) 0.32625(12) 0.09101(8) 0.0347(5) Uani 1 1 d . B .
H53B H 0.7537 0.3608 0.0642 0.042 Uiso 1 1 calc R . .
C54B C 0.79920(10) 0.27026(13) 0.07840(9) 0.0381(5) Uani 1 1 d . . .
H54B H 0.8094 0.2667 0.0432 0.046 Uiso 1 1 calc R B .
C55B C 0.81677(10) 0.21984(12) 0.11741(9) 0.0354(5) Uani 1 1 d . B .
H55B H 0.8386 0.1811 0.1088 0.042 Uiso 1 1 calc R . .
C56B C 0.80268(8) 0.22547(10) 0.16926(8) 0.0260(4) Uani 1 1 d . . .
H56B H 0.8150 0.1904 0.1957 0.031 Uiso 1 1 calc R B .
C61B C 0.79183(8) 0.37443(9) 0.27220(7) 0.0223(4) Uani 1 1 d . B .
C62B C 0.76720(9) 0.42958(10) 0.29566(9) 0.0318(4) Uani 1 1 d . . .
H62B H 0.7271 0.4283 0.2982 0.038 Uiso 1 1 calc R B .
C63B C 0.80104(11) 0.48688(12) 0.31560(10) 0.0434(6) Uani 1 1 d . B .
H63B H 0.7839 0.5245 0.3317 0.052 Uiso 1 1 calc R . .
C64B C 0.85917(11) 0.48938(12) 0.31214(10) 0.0433(6) Uani 1 1 d . . .
H64B H 0.8821 0.5283 0.3262 0.052 Uiso 1 1 calc R B .
C65B C 0.88410(10) 0.43537(12) 0.28828(10) 0.0390(5) Uani 1 1 d . B .
H65B H 0.9242 0.4372 0.2857 0.047 Uiso 1 1 calc R . .
C66B C 0.85057(9) 0.37829(10) 0.26801(9) 0.0310(4) Uani 1 1 d . . .
H66B H 0.8678 0.3415 0.2511 0.037 Uiso 1 1 calc R B .
C71B C 0.79465(8) 0.29145(9) 0.39840(7) 0.0212(3) Uani 1 1 d . B .
C72B C 0.75983(9) 0.32719(10) 0.42854(8) 0.0295(4) Uani 1 1 d . . .
H72B H 0.7199 0.3153 0.4251 0.035 Uiso 1 1 calc R B .
C73B C 0.78304(11) 0.38057(11) 0.46390(9) 0.0390(5) Uani 1 1 d . B .
H73B H 0.7588 0.4047 0.4844 0.047 Uiso 1 1 calc R . .
C74B C 0.84074(11) 0.39830(11) 0.46915(9) 0.0403(5) Uani 1 1 d . . .
H74B H 0.8563 0.4345 0.4934 0.048 Uiso 1 1 calc R B .
C75B C 0.87621(10) 0.36348(11) 0.43922(10) 0.0377(5) Uani 1 1 d . B .
H75B H 0.9160 0.3760 0.4425 0.045 Uiso 1 1 calc R . .
C76B C 0.85327(9) 0.31016(10) 0.40434(9) 0.0300(4) Uani 1 1 d . . .
H76B H 0.8778 0.2860 0.3842 0.036 Uiso 1 1 calc R B .
C81B C 0.81896(7) 0.15204(9) 0.39150(7) 0.0195(3) Uani 1 1 d . B .
C82B C 0.81040(9) 0.12803(10) 0.44239(7) 0.0257(4) Uani 1 1 d . . .
H82B H 0.7773 0.1429 0.4565 0.031 Uiso 1 1 calc R B .
C83B C 0.84986(9) 0.08267(10) 0.47252(8) 0.0308(4) Uani 1 1 d . B .
H83B H 0.8442 0.0676 0.5075 0.037 Uiso 1 1 calc R . .
C84B C 0.89750(9) 0.05936(10) 0.45165(8) 0.0315(4) Uani 1 1 d . . .
H84B H 0.9244 0.0280 0.4722 0.038 Uiso 1 1 calc R B .
C85B C 0.90583(9) 0.08189(10) 0.40096(8) 0.0307(4) Uani 1 1 d . B .
H85B H 0.9382 0.0655 0.3864 0.037 Uiso 1 1 calc R . .
C86B C 0.86704(8) 0.12838(10) 0.37123(8) 0.0251(4) Uani 1 1 d . . .
H86B H 0.8735 0.1442 0.3366 0.030 Uiso 1 1 calc R B .
C91B C 0.54888(8) 0.30484(11) 0.36503(8) 0.0270(4) Uani 1 1 d . B .
C92B C 0.50710(9) 0.26714(13) 0.38841(9) 0.0355(5) Uani 1 1 d . . .
C93B C 0.48698(11) 0.29392(15) 0.43400(10) 0.0457(6) Uani 1 1 d . B .
H93B H 0.4591 0.2680 0.4491 0.055 Uiso 1 1 calc R . .
C94B C 0.50607(11) 0.35652(16) 0.45770(9) 0.0477(6) Uani 1 1 d . . .
C95B C 0.54462(10) 0.39436(14) 0.43360(9) 0.0417(6) Uani 1 1 d . B .
H95B H 0.5571 0.4384 0.4485 0.050 Uiso 1 1 calc R . .
C96B C 0.56621(9) 0.37034(11) 0.38794(8) 0.0313(4) Uani 1 1 d . . .
C97B C 0.48398(12) 0.19675(14) 0.36790(12) 0.0509(7) Uani 1 1 d . B .
H97D H 0.4579 0.1790 0.3914 0.061 Uiso 1 1 calc R . .
H97E H 0.5166 0.1645 0.3686 0.061 Uiso 1 1 calc R . .
H97F H 0.4625 0.2012 0.3304 0.061 Uiso 1 1 calc R . .
C98B C 0.48711(15) 0.3811(2) 0.50954(12) 0.0732(10) Uani 1 1 d . B .
H98D H 0.4455 0.3716 0.5073 0.088 Uiso 1 1 calc R . .
H98E H 0.4941 0.4312 0.5139 0.088 Uiso 1 1 calc R . .
H98F H 0.5094 0.3565 0.5410 0.088 Uiso 1 1 calc R . .
C99B C 0.60841(10) 0.41707(11) 0.36658(10) 0.0377(5) Uani 1 1 d . B .
H99D H 0.6102 0.4620 0.3854 0.045 Uiso 1 1 calc R . .
H99E H 0.5955 0.4241 0.3272 0.045 Uiso 1 1 calc R . .
H99F H 0.6471 0.3956 0.3731 0.045 Uiso 1 1 calc R . .
Cl1S Cl 0.50182(10) -0.02240(17) 0.52676(11) 0.0824(6) Uani 0.50 1 d P C -1
Cl2S Cl 0.47720(7) -0.01474(11) 0.40807(7) 0.0745(5) Uani 0.50 1 d P C -1
C1S C 0.5170(5) 0.0183(8) 0.4669(5) 0.0824(6) Uani 0.50 1 d P C -1
H1SA H 0.5090 0.0686 0.4687 0.099 Uiso 0.50 1 calc PR C -1
H1SB H 0.5589 0.0127 0.4658 0.099 Uiso 0.50 1 calc PR C -1
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 '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
C1A Ir1A P1A 98.94(6) . . ?
C1A Ir1A P3A 108.85(6) . . ?
P1A Ir1A P3A 96.277(16) . . ?
C1A Ir1A Si1A 101.86(6) . . ?
P1A Ir1A Si1A 94.955(16) . . ?
P3A Ir1A Si1A 145.078(16) . . ?
C1A Ir1A Rh1A 154.34(6) . . ?
P1A Ir1A Rh1A 90.861(11) . . ?
P3A Ir1A Rh1A 93.422(11) . . ?
Si1A Ir1A Rh1A 53.411(12) . . ?
Rh1A Ir1A H1A 79.7(10) . . ?
P1A Ir1A H1A 170.5(10) . . ?
P3A Ir1A H1A 83.2(9) . . ?
Si1A Ir1A H1A 80.4(9) . . ?
C1A Ir1A H1A 90.2(10) . . ?
C2A Rh1A P2A 96.70(6) . . ?
C2A Rh1A P4A 112.14(6) . . ?
P2A Rh1A P4A 99.199(16) . . ?
C2A Rh1A Si1A 104.69(6) . . ?
P2A Rh1A Si1A 109.689(16) . . ?
P4A Rh1A Si1A 129.523(16) . . ?
C2A Rh1A Ir1A 157.32(6) . . ?
P2A Rh1A Ir1A 91.136(11) . . ?
P4A Rh1A Ir1A 87.388(11) . . ?
Si1A Rh1A Ir1A 52.667(12) . . ?
Ir1A Rh1A H2A 85.9(10) . . ?
P2A Rh1A H2A 173.9(10) . . ?
P4A Rh1A H2A 86.0(10) . . ?
Si1A Rh1A H2A 64.3(10) . . ?
C2A Rh1A H2A 84.2(10) . . ?
C3A P1A C21A 105.38(8) . . ?
C3A P1A C11A 102.77(8) . . ?
C21A P1A C11A 97.07(8) . . ?
C3A P1A Ir1A 110.75(6) . . ?
C21A P1A Ir1A 120.00(6) . . ?
C11A P1A Ir1A 118.60(6) . . ?
C41A P2A C3A 101.95(8) . . ?
C41A P2A C31A 98.56(8) . . ?
C3A P2A C31A 102.50(8) . . ?
C41A P2A Rh1A 114.46(6) . . ?
C3A P2A Rh1A 116.83(6) . . ?
C31A P2A Rh1A 119.59(6) . . ?
C51A P3A C4A 102.09(8) . . ?
C51A P3A C61A 99.60(8) . . ?
C4A P3A C61A 100.15(8) . . ?
C51A P3A Ir1A 119.95(6) . . ?
C4A P3A Ir1A 114.08(6) . . ?
C61A P3A Ir1A 117.86(6) . . ?
C4A P4A C81A 101.51(8) . . ?
C4A P4A C71A 102.31(8) . . ?
C81A P4A C71A 99.75(8) . . ?
C4A P4A Rh1A 111.80(6) . . ?
C81A P4A Rh1A 121.78(6) . . ?
C71A P4A Rh1A 116.91(6) . . ?
C91A Si1A Ir1A 128.28(6) . . ?
C91A Si1A Rh1A 114.01(6) . . ?
Ir1A Si1A Rh1A 73.922(14) . . ?
Ir1A Si1A H1SI 120.2(7) . . ?
Rh1A Si1A H1SI 124.5(7) . . ?
C91A Si1A H1SI 97.7(7) . . ?
O1A C1A Ir1A 176.22(18) . . ?
O2A C2A Rh1A 176.12(17) . . ?
P1A C3A P2A 111.37(9) . . ?
P4A C4A P3A 110.30(9) . . ?
C16A C11A C12A 118.23(17) . . ?
C16A C11A P1A 122.93(14) . . ?
C12A C11A P1A 118.68(14) . . ?
C13A C12A C11A 120.94(19) . . ?
C12A C13A C14A 120.16(19) . . ?
C15A C14A C13A 119.39(19) . . ?
C14A C15A C16A 120.6(2) . . ?
C11A C16A C15A 120.66(19) . . ?
C26A C21A C22A 118.44(17) . . ?
C26A C21A P1A 123.80(15) . . ?
C22A C21A P1A 117.37(14) . . ?
C23A C22A C21A 120.72(19) . . ?
C22A C23A C24A 120.2(2) . . ?
C25A C24A C23A 119.79(19) . . ?
C24A C25A C26A 120.18(19) . . ?
C25A C26A C21A 120.61(19) . . ?
C32A C31A C36A 118.89(17) . . ?
C32A C31A P2A 121.22(14) . . ?
C36A C31A P2A 119.88(14) . . ?
C31A C32A C33A 120.30(18) . . ?
C34A C33A C32A 120.26(19) . . ?
C33A C34A C35A 119.91(19) . . ?
C34A C35A C36A 119.93(19) . . ?
C35A C36A C31A 120.70(19) . . ?
C46A C41A C42A 118.82(18) . . ?
C46A C41A P2A 125.48(15) . . ?
C42A C41A P2A 115.67(15) . . ?
C43A C42A C41A 120.7(2) . . ?
C44A C43A C42A 120.0(2) . . ?
C45A C44A C43A 120.4(2) . . ?
C44A C45A C46A 120.0(2) . . ?
C41A C46A C45A 120.1(2) . . ?
C56A C51A C52A 118.33(17) . . ?
C56A C51A P3A 125.68(14) . . ?
C52A C51A P3A 115.99(14) . . ?
C53A C52A C51A 121.00(18) . . ?
C52A C53A C54A 120.15(19) . . ?
C55A C54A C53A 119.8(2) . . ?
C54A C55A C56A 120.2(2) . . ?
C51A C56A C55A 120.53(19) . . ?
C62A C61A C66A 118.92(18) . . ?
C62A C61A P3A 121.80(15) . . ?
C66A C61A P3A 119.22(15) . . ?
C61A C62A C63A 120.0(2) . . ?
C64A C63A C62A 120.3(2) . . ?
C65A C64A C63A 119.9(2) . . ?
C64A C65A C66A 120.1(2) . . ?
C65A C66A C61A 120.6(2) . . ?
C72A C71A C76A 118.15(17) . . ?
C72A C71A P4A 121.91(15) . . ?
C76A C71A P4A 119.94(15) . . ?
C73A C72A C71A 120.94(19) . . ?
C74A C73A C72A 120.1(2) . . ?
C75A C74A C73A 119.83(19) . . ?
C74A C75A C76A 120.1(2) . . ?
C75A C76A C71A 120.9(2) . . ?
C86A C81A C82A 118.05(18) . . ?
C86A C81A P4A 124.31(15) . . ?
C82A C81A P4A 117.64(15) . . ?
C83A C82A C81A 120.91(19) . . ?
C84A C83A C82A 120.5(2) . . ?
C83A C84A C85A 119.3(2) . . ?
C84A C85A C86A 120.6(2) . . ?
C81A C86A C85A 120.7(2) . . ?
C96A C91A C92A 117.14(17) . . ?
C96A C91A Si1A 126.67(14) . . ?
C92A C91A Si1A 115.73(14) . . ?
C93A C92A C91A 120.31(19) . . ?
C93A C92A C97A 116.84(18) . . ?
C91A C92A C97A 122.84(17) . . ?
C94A C93A C92A 122.4(2) . . ?
C95A C94A C93A 117.23(18) . . ?
C95A C94A C98A 122.1(2) . . ?
C93A C94A C98A 120.7(2) . . ?
C94A C95A C96A 122.5(2) . . ?
C95A C96A C91A 120.08(18) . . ?
C95A C96A C99A 116.47(18) . . ?
C91A C96A C99A 123.41(17) . . ?
C1B Ir1B P3B 103.94(6) . . ?
C1B Ir1B P1B 99.70(6) . . ?
P3B Ir1B P1B 96.783(16) . . ?
C1B Ir1B Si1B 106.85(6) . . ?
P3B Ir1B Si1B 145.628(16) . . ?
P1B Ir1B Si1B 92.793(16) . . ?
C1B Ir1B Rh1B 157.59(6) . . ?
P3B Ir1B Rh1B 93.607(11) . . ?
P1B Ir1B Rh1B 91.816(11) . . ?
Si1B Ir1B Rh1B 53.040(12) . . ?
Rh1B Ir1B H1B 78.1(9) . . ?
P1B Ir1B H1B 169.9(9) . . ?
P3B Ir1B H1B 83.3(9) . . ?
Si1B Ir1B H1B 81.7(9) . . ?
C1B Ir1B H1B 90.0(9) . . ?
C2B Rh1B P2B 94.82(6) . . ?
C2B Rh1B P4B 115.73(6) . . ?
P2B Rh1B P4B 97.395(15) . . ?
C2B Rh1B Si1B 100.97(6) . . ?
P2B Rh1B Si1B 106.843(16) . . ?
P4B Rh1B Si1B 133.817(17) . . ?
C2B Rh1B Ir1B 153.90(6) . . ?
P2B Rh1B Ir1B 91.138(11) . . ?
P4B Rh1B Ir1B 88.544(11) . . ?
Si1B Rh1B Ir1B 53.084(12) . . ?
Ir1B Rh1B H2B 83.7(10) . . ?
P2B Rh1B H2B 173.3(10) . . ?
P4B Rh1B H2B 86.8(10) . . ?
Si1B Rh1B H2B 66.6(10) . . ?
C2B Rh1B H2B 88.0(10) . . ?
C21B P1B C3B 106.08(9) . . ?
C21B P1B C11B 97.78(8) . . ?
C3B P1B C11B 102.28(8) . . ?
C21B P1B Ir1B 119.08(6) . . ?
C3B P1B Ir1B 110.00(6) . . ?
C11B P1B Ir1B 119.52(6) . . ?
C31B P2B C41B 99.35(8) . . ?
C31B P2B C3B 102.56(8) . . ?
C41B P2B C3B 101.43(8) . . ?
C31B P2B Rh1B 118.22(6) . . ?
C41B P2B Rh1B 116.13(6) . . ?
C3B P2B Rh1B 116.34(6) . . ?
C51B P3B C4B 102.59(8) . . ?
C51B P3B C61B 100.15(8) . . ?
C4B P3B C61B 100.51(8) . . ?
C51B P3B Ir1B 119.78(6) . . ?
C4B P3B Ir1B 114.22(6) . . ?
C61B P3B Ir1B 116.73(6) . . ?
C81B P4B C4B 101.90(8) . . ?
C81B P4B C71B 97.17(8) . . ?
C4B P4B C71B 103.38(8) . . ?
C81B P4B Rh1B 120.34(6) . . ?
C4B P4B Rh1B 111.39(6) . . ?
C71B P4B Rh1B 119.86(6) . . ?
C91B Si1B Rh1B 116.78(6) . . ?
C91B Si1B Ir1B 131.51(7) . . ?
Rh1B Si1B Ir1B 73.876(14) . . ?
Ir1B Si1B H2SI 117.3(7) . . ?
Rh1B Si1B H2SI 120.6(8) . . ?
C91B Si1B H2SI 97.9(7) . . ?
O1B C1B Ir1B 177.4(2) . . ?
O2B C2B Rh1B 175.70(18) . . ?
P1B C3B P2B 112.56(9) . . ?
P3B C4B P4B 110.88(9) . . ?
C16B C11B C12B 118.13(17) . . ?
C16B C11B P1B 123.31(14) . . ?
C12B C11B P1B 118.34(15) . . ?
C13B C12B C11B 120.7(2) . . ?
C14B C13B C12B 120.3(2) . . ?
C15B C14B C13B 119.49(19) . . ?
C14B C15B C16B 120.4(2) . . ?
C11B C16B C15B 120.87(19) . . ?
C26B C21B C22B 118.65(18) . . ?
C26B C21B P1B 123.41(15) . . ?
C22B C21B P1B 117.90(15) . . ?
C23B C22B C21B 120.8(2) . . ?
C24B C23B C22B 120.0(2) . . ?
C23B C24B C25B 120.1(2) . . ?
C24B C25B C26B 120.1(2) . . ?
C21B C26B C25B 120.3(2) . . ?
C32B C31B C36B 118.77(17) . . ?
C32B C31B P2B 119.92(14) . . ?
C36B C31B P2B 121.23(15) . . ?
C31B C32B C33B 120.26(19) . . ?
C34B C33B C32B 120.4(2) . . ?
C33B C34B C35B 119.9(2) . . ?
C34B C35B C36B 120.0(2) . . ?
C35B C36B C31B 120.6(2) . . ?
C46B C41B C42B 118.53(18) . . ?
C46B C41B P2B 124.81(14) . . ?
C42B C41B P2B 116.64(15) . . ?
C43B C42B C41B 120.5(2) . . ?
C44B C43B C42B 120.3(2) . . ?
C45B C44B C43B 120.0(2) . . ?
C44B C45B C46B 120.3(2) . . ?
C41B C46B C45B 120.5(2) . . ?
C56B C51B C52B 118.12(17) . . ?
C56B C51B P3B 124.66(14) . . ?
C52B C51B P3B 117.21(14) . . ?
C53B C52B C51B 120.94(19) . . ?
C52B C53B C54B 120.24(19) . . ?
C55B C54B C53B 119.43(19) . . ?
C54B C55B C56B 120.4(2) . . ?
C55B C56B C51B 120.80(18) . . ?
C62B C61B C66B 118.64(18) . . ?
C62B C61B P3B 121.60(15) . . ?
C66B C61B P3B 119.69(15) . . ?
C61B C62B C63B 120.2(2) . . ?
C64B C63B C62B 120.5(2) . . ?
C63B C64B C65B 120.0(2) . . ?
C64B C65B C66B 119.9(2) . . ?
C65B C66B C61B 120.8(2) . . ?
C72B C71B C76B 118.36(17) . . ?
C72B C71B P4B 121.25(15) . . ?
C76B C71B P4B 120.12(14) . . ?
C71B C72B C73B 120.5(2) . . ?
C74B C73B C72B 120.3(2) . . ?
C73B C74B C75B 120.11(19) . . ?
C74B C75B C76B 119.6(2) . . ?
C75B C76B C71B 121.1(2) . . ?
C86B C81B C82B 118.63(16) . . ?
C86B C81B P4B 123.90(14) . . ?
C82B C81B P4B 117.43(14) . . ?
C83B C82B C81B 120.55(18) . . ?
C84B C83B C82B 120.10(18) . . ?
C85B C84B C83B 119.79(18) . . ?
C84B C85B C86B 120.19(19) . . ?
C85B C86B C81B 120.71(18) . . ?
C96B C91B C92B 117.25(18) . . ?
C96B C91B Si1B 125.52(15) . . ?
C92B C91B Si1B 116.96(16) . . ?
C93B C92B C91B 119.9(2) . . ?
C93B C92B C97B 116.8(2) . . ?
C91B C92B C97B 123.25(19) . . ?
C94B C93B C92B 122.5(2) . . ?
C95B C94B C93B 117.5(2) . . ?
C95B C94B C98B 121.4(3) . . ?
C93B C94B C98B 121.1(3) . . ?
C94B C95B C96B 122.5(2) . . ?
C95B C96B C91B 120.2(2) . . ?
C95B C96B C99B 116.4(2) . . ?
C91B C96B C99B 123.40(18) . . ?
Cl2S C1S Cl1S 113.2(7) . . ?
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
Ir1A C1A 1.8614(18) . ?
Ir1A P1A 2.3470(4) . ?
Ir1A P3A 2.3566(5) . ?
Ir1A Si1A 2.3594(5) . ?
Ir1A Rh1A 2.85124(14) . ?
Ir1A H1A 1.56(3) . ?
Rh1A C2A 1.8669(19) . ?
Rh1A P2A 2.3410(4) . ?
Rh1A P4A 2.3507(5) . ?
Rh1A Si1A 2.3826(5) . ?
Rh1A H2A 1.48(3) . ?
P1A C3A 1.8277(17) . ?
P1A C21A 1.8305(18) . ?
P1A C11A 1.8362(18) . ?
P2A C41A 1.8330(18) . ?
P2A C3A 1.8396(17) . ?
P2A C31A 1.8435(18) . ?
P3A C51A 1.8275(18) . ?
P3A C4A 1.8369(17) . ?
P3A C61A 1.8421(19) . ?
P4A C4A 1.8358(17) . ?
P4A C81A 1.8418(18) . ?
P4A C71A 1.8478(18) . ?
Si1A C91A 1.9265(18) . ?
Si1A H1SI 1.520(19) . ?
O1A C1A 1.151(2) . ?
O2A C2A 1.148(2) . ?
C11A C16A 1.388(3) . ?
C11A C12A 1.397(3) . ?
C12A C13A 1.383(3) . ?
C13A C14A 1.389(3) . ?
C14A C15A 1.375(3) . ?
C15A C16A 1.391(3) . ?
C21A C26A 1.391(3) . ?
C21A C22A 1.397(3) . ?
C22A C23A 1.379(3) . ?
C23A C24A 1.386(3) . ?
C24A C25A 1.377(3) . ?
C25A C26A 1.390(3) . ?
C31A C32A 1.388(3) . ?
C31A C36A 1.394(3) . ?
C32A C33A 1.393(3) . ?
C33A C34A 1.382(3) . ?
C34A C35A 1.382(3) . ?
C35A C36A 1.388(3) . ?
C41A C46A 1.385(3) . ?
C41A C42A 1.398(3) . ?
C42A C43A 1.384(3) . ?
C43A C44A 1.375(4) . ?
C44A C45A 1.375(4) . ?
C45A C46A 1.402(3) . ?
C51A C56A 1.391(3) . ?
C51A C52A 1.400(3) . ?
C52A C53A 1.375(3) . ?
C53A C54A 1.386(3) . ?
C54A C55A 1.380(3) . ?
C55A C56A 1.391(3) . ?
C61A C62A 1.390(3) . ?
C61A C66A 1.400(3) . ?
C62A C63A 1.396(3) . ?
C63A C64A 1.386(3) . ?
C64A C65A 1.379(3) . ?
C65A C66A 1.387(3) . ?
C71A C72A 1.391(3) . ?
C71A C76A 1.395(3) . ?
C72A C73A 1.389(3) . ?
C73A C74A 1.382(3) . ?
C74A C75A 1.379(3) . ?
C75A C76A 1.388(3) . ?
C81A C86A 1.386(3) . ?
C81A C82A 1.393(3) . ?
C82A C83A 1.386(3) . ?
C83A C84A 1.370(3) . ?
C84A C85A 1.381(3) . ?
C85A C86A 1.387(3) . ?
C91A C96A 1.413(3) . ?
C91A C92A 1.420(3) . ?
C92A C93A 1.394(3) . ?
C92A C97A 1.505(3) . ?
C93A C94A 1.385(3) . ?
C94A C95A 1.384(3) . ?
C94A C98A 1.511(3) . ?
C95A C96A 1.399(3) . ?
C96A C99A 1.509(3) . ?
Ir1B C1B 1.8665(18) . ?
Ir1B P3B 2.3382(5) . ?
Ir1B P1B 2.3484(4) . ?
Ir1B Si1B 2.3657(5) . ?
Ir1B Rh1B 2.84255(14) . ?
Ir1B H1B 1.54(2) . ?
Rh1B C2B 1.8673(19) . ?
Rh1B P2B 2.3469(4) . ?
Rh1B P4B 2.3522(5) . ?
Rh1B Si1B 2.3644(5) . ?
Rh1B H2B 1.52(3) . ?
P1B C21B 1.8281(19) . ?
P1B C3B 1.8295(17) . ?
P1B C11B 1.8376(18) . ?
P2B C31B 1.8354(18) . ?
P2B C41B 1.8361(18) . ?
P2B C3B 1.8437(17) . ?
P3B C51B 1.8363(18) . ?
P3B C4B 1.8372(17) . ?
P3B C61B 1.8422(18) . ?
P4B C81B 1.8304(17) . ?
P4B C4B 1.8383(17) . ?
P4B C71B 1.8419(18) . ?
Si1B C91B 1.9232(19) . ?
Si1B H2SI 1.447(19) . ?
O1B C1B 1.144(2) . ?
O2B C2B 1.149(2) . ?
C11B C16B 1.385(3) . ?
C11B C12B 1.396(3) . ?
C12B C13B 1.385(3) . ?
C13B C14B 1.380(3) . ?
C14B C15B 1.374(3) . ?
C15B C16B 1.388(3) . ?
C21B C26B 1.382(3) . ?
C21B C22B 1.398(3) . ?
C22B C23B 1.386(3) . ?
C23B C24B 1.372(4) . ?
C24B C25B 1.382(4) . ?
C25B C26B 1.398(3) . ?
C31B C32B 1.389(3) . ?
C31B C36B 1.398(3) . ?
C32B C33B 1.395(3) . ?
C33B C34B 1.377(3) . ?
C34B C35B 1.384(3) . ?
C35B C36B 1.388(3) . ?
C41B C46B 1.393(3) . ?
C41B C42B 1.398(3) . ?
C42B C43B 1.389(3) . ?
C43B C44B 1.380(4) . ?
C44B C45B 1.374(4) . ?
C45B C46B 1.394(3) . ?
C51B C56B 1.393(3) . ?
C51B C52B 1.401(3) . ?
C52B C53B 1.385(3) . ?
C53B C54B 1.390(3) . ?
C54B C55B 1.381(3) . ?
C55B C56B 1.392(3) . ?
C61B C62B 1.386(3) . ?
C61B C66B 1.396(3) . ?
C62B C63B 1.395(3) . ?
C63B C64B 1.377(3) . ?
C64B C65B 1.377(3) . ?
C65B C66B 1.390(3) . ?
C71B C72B 1.385(3) . ?
C71B C76B 1.398(3) . ?
C72B C73B 1.397(3) . ?
C73B C74B 1.373(3) . ?
C74B C75B 1.383(3) . ?
C75B C76B 1.387(3) . ?
C81B C86B 1.389(3) . ?
C81B C82B 1.396(2) . ?
C82B C83B 1.387(3) . ?
C83B C84B 1.385(3) . ?
C84B C85B 1.381(3) . ?
C85B C86B 1.388(3) . ?
C91B C96B 1.412(3) . ?
C91B C92B 1.422(3) . ?
C92B C93B 1.402(3) . ?
C92B C97B 1.512(4) . ?
C93B C94B 1.379(4) . ?
C94B C95B 1.377(4) . ?
C94B C98B 1.514(3) . ?
C95B C96B 1.402(3) . ?
C96B C99B 1.501(3) . ?
Cl1S C1S 1.775(10) . ?
Cl2S C1S 1.707(13) . ?
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
C1A Ir1A Rh1A C2A 21.1(2) . . . . ?
P1A Ir1A Rh1A C2A -91.89(15) . . . . ?
P3A Ir1A Rh1A C2A 171.77(15) . . . . ?
Si1A Ir1A Rh1A C2A 3.64(15) . . . . ?
C1A Ir1A Rh1A P2A 131.56(13) . . . . ?
P1A Ir1A Rh1A P2A 18.590(16) . . . . ?
P3A Ir1A Rh1A P2A -77.751(16) . . . . ?
Si1A Ir1A Rh1A P2A 114.123(18) . . . . ?
C1A Ir1A Rh1A P4A -129.28(13) . . . . ?
P1A Ir1A Rh1A P4A 117.748(16) . . . . ?
P3A Ir1A Rh1A P4A 21.407(16) . . . . ?
Si1A Ir1A Rh1A P4A -146.719(18) . . . . ?
C1A Ir1A Rh1A Si1A 17.44(13) . . . . ?
P1A Ir1A Rh1A Si1A -95.533(18) . . . . ?
P3A Ir1A Rh1A Si1A 168.126(18) . . . . ?
C1A Ir1A P1A C3A 164.34(8) . . . . ?
P3A Ir1A P1A C3A 54.07(6) . . . . ?
Si1A Ir1A P1A C3A -92.81(6) . . . . ?
Rh1A Ir1A P1A C3A -39.47(6) . . . . ?
C1A Ir1A P1A C21A -72.54(9) . . . . ?
P3A Ir1A P1A C21A 177.19(7) . . . . ?
Si1A Ir1A P1A C21A 30.31(7) . . . . ?
Rh1A Ir1A P1A C21A 83.65(7) . . . . ?
C1A Ir1A P1A C11A 45.93(9) . . . . ?
P3A Ir1A P1A C11A -64.34(7) . . . . ?
Si1A Ir1A P1A C11A 148.78(7) . . . . ?
Rh1A Ir1A P1A C11A -157.88(7) . . . . ?
C2A Rh1A P2A C41A -79.92(9) . . . . ?
P4A Rh1A P2A C41A 33.87(7) . . . . ?
Si1A Rh1A P2A C41A 171.83(7) . . . . ?
Ir1A Rh1A P2A C41A 121.41(7) . . . . ?
C2A Rh1A P2A C3A 161.07(9) . . . . ?
P4A Rh1A P2A C3A -85.14(7) . . . . ?
Si1A Rh1A P2A C3A 52.82(7) . . . . ?
Ir1A Rh1A P2A C3A 2.40(7) . . . . ?
C2A Rh1A P2A C31A 36.60(9) . . . . ?
P4A Rh1A P2A C31A 150.39(6) . . . . ?
Si1A Rh1A P2A C31A -71.66(7) . . . . ?
Ir1A Rh1A P2A C31A -122.08(6) . . . . ?
C1A Ir1A P3A C51A -70.88(9) . . . . ?
P1A Ir1A P3A C51A 30.83(7) . . . . ?
Si1A Ir1A P3A C51A 138.84(7) . . . . ?
Rh1A Ir1A P3A C51A 122.07(7) . . . . ?
C1A Ir1A P3A C4A 167.65(9) . . . . ?
P1A Ir1A P3A C4A -90.65(6) . . . . ?
Si1A Ir1A P3A C4A 17.37(7) . . . . ?
Rh1A Ir1A P3A C4A 0.60(6) . . . . ?
C1A Ir1A P3A C61A 50.61(9) . . . . ?
P1A Ir1A P3A C61A 152.31(7) . . . . ?
Si1A Ir1A P3A C61A -99.67(7) . . . . ?
Rh1A Ir1A P3A C61A -116.45(6) . . . . ?
C2A Rh1A P4A C4A 147.86(9) . . . . ?
P2A Rh1A P4A C4A 46.71(6) . . . . ?
Si1A Rh1A P4A C4A -78.46(6) . . . . ?
Ir1A Rh1A P4A C4A -44.02(6) . . . . ?
C2A Rh1A P4A C81A 27.83(9) . . . . ?
P2A Rh1A P4A C81A -73.33(7) . . . . ?
Si1A Rh1A P4A C81A 161.50(7) . . . . ?
Ir1A Rh1A P4A C81A -164.05(7) . . . . ?
C2A Rh1A P4A C71A -94.71(9) . . . . ?
P2A Rh1A P4A C71A 164.14(6) . . . . ?
Si1A Rh1A P4A C71A 38.96(7) . . . . ?
Ir1A Rh1A P4A C71A 73.41(6) . . . . ?
C1A Ir1A Si1A C91A -64.20(9) . . . . ?
P1A Ir1A Si1A C91A -164.44(7) . . . . ?
P3A Ir1A Si1A C91A 87.15(8) . . . . ?
Rh1A Ir1A Si1A C91A 108.17(7) . . . . ?
C1A Ir1A Si1A Rh1A -172.38(6) . . . . ?
P1A Ir1A Si1A Rh1A 87.388(14) . . . . ?
P3A Ir1A Si1A Rh1A -21.03(3) . . . . ?
C2A Rh1A Si1A C91A 56.18(9) . . . . ?
P2A Rh1A Si1A C91A 159.00(6) . . . . ?
P4A Rh1A Si1A C91A -79.98(7) . . . . ?
Ir1A Rh1A Si1A C91A -125.27(7) . . . . ?
C2A Rh1A Si1A Ir1A -178.55(6) . . . . ?
P2A Rh1A Si1A Ir1A -75.732(16) . . . . ?
P4A Rh1A Si1A Ir1A 45.29(2) . . . . ?
P1A Ir1A C1A O1A 115(3) . . . . ?
P3A Ir1A C1A O1A -146(3) . . . . ?
Si1A Ir1A C1A O1A 18(3) . . . . ?
Rh1A Ir1A C1A O1A 3(3) . . . . ?
P2A Rh1A C2A O2A -168(3) . . . . ?
P4A Rh1A C2A O2A 90(3) . . . . ?
Si1A Rh1A C2A O2A -55(3) . . . . ?
Ir1A Rh1A C2A O2A -58(3) . . . . ?
C21A P1A C3A P2A -82.52(10) . . . . ?
C11A P1A C3A P2A 176.33(9) . . . . ?
Ir1A P1A C3A P2A 48.69(10) . . . . ?
C41A P2A C3A P1A -156.30(9) . . . . ?
C31A P2A C3A P1A 102.00(10) . . . . ?
Rh1A P2A C3A P1A -30.75(11) . . . . ?
C81A P4A C4A P3A -174.89(9) . . . . ?
C71A P4A C4A P3A -72.10(11) . . . . ?
Rh1A P4A C4A P3A 53.79(10) . . . . ?
C51A P3A C4A P4A -161.91(9) . . . . ?
C61A P3A C4A P4A 95.87(10) . . . . ?
Ir1A P3A C4A P4A -31.00(11) . . . . ?
C3A P1A C11A C16A 6.78(19) . . . . ?
C21A P1A C11A C16A -100.81(18) . . . . ?
Ir1A P1A C11A C16A 129.28(16) . . . . ?
C3A P1A C11A C12A -177.87(15) . . . . ?
C21A P1A C11A C12A 74.54(16) . . . . ?
Ir1A P1A C11A C12A -55.37(17) . . . . ?
C16A C11A C12A C13A 1.1(3) . . . . ?
P1A C11A C12A C13A -174.50(16) . . . . ?
C11A C12A C13A C14A -0.1(3) . . . . ?
C12A C13A C14A C15A -1.2(4) . . . . ?
C13A C14A C15A C16A 1.6(4) . . . . ?
C12A C11A C16A C15A -0.7(3) . . . . ?
P1A C11A C16A C15A 174.68(18) . . . . ?
C14A C15A C16A C11A -0.6(4) . . . . ?
C3A P1A C21A C26A -14.31(17) . . . . ?
C11A P1A C21A C26A 91.06(16) . . . . ?
Ir1A P1A C21A C26A -139.99(14) . . . . ?
C3A P1A C21A C22A 172.94(14) . . . . ?
C11A P1A C21A C22A -81.68(15) . . . . ?
Ir1A P1A C21A C22A 47.27(16) . . . . ?
C26A C21A C22A C23A -2.1(3) . . . . ?
P1A C21A C22A C23A 171.03(16) . . . . ?
C21A C22A C23A C24A 2.8(3) . . . . ?
C22A C23A C24A C25A -1.1(3) . . . . ?
C23A C24A C25A C26A -1.3(3) . . . . ?
C24A C25A C26A C21A 1.9(3) . . . . ?
C22A C21A C26A C25A -0.2(3) . . . . ?
P1A C21A C26A C25A -172.91(15) . . . . ?
C41A P2A C31A C32A 137.39(15) . . . . ?
C3A P2A C31A C32A -118.27(15) . . . . ?
Rh1A P2A C31A C32A 12.84(17) . . . . ?
C41A P2A C31A C36A -41.59(16) . . . . ?
C3A P2A C31A C36A 62.76(16) . . . . ?
Rh1A P2A C31A C36A -166.13(13) . . . . ?
C36A C31A C32A C33A 0.3(3) . . . . ?
P2A C31A C32A C33A -178.74(14) . . . . ?
C31A C32A C33A C34A -0.5(3) . . . . ?
C32A C33A C34A C35A 0.2(3) . . . . ?
C33A C34A C35A C36A 0.2(3) . . . . ?
C34A C35A C36A C31A -0.4(3) . . . . ?
C32A C31A C36A C35A 0.2(3) . . . . ?
P2A C31A C36A C35A 179.19(16) . . . . ?
C3A P2A C41A C46A -3.40(19) . . . . ?
C31A P2A C41A C46A 101.41(18) . . . . ?
Rh1A P2A C41A C46A -130.49(16) . . . . ?
C3A P2A C41A C42A 178.32(14) . . . . ?
C31A P2A C41A C42A -76.87(15) . . . . ?
Rh1A P2A C41A C42A 51.23(16) . . . . ?
C46A C41A C42A C43A -0.6(3) . . . . ?
P2A C41A C42A C43A 177.84(16) . . . . ?
C41A C42A C43A C44A 0.9(3) . . . . ?
C42A C43A C44A C45A -0.3(4) . . . . ?
C43A C44A C45A C46A -0.7(4) . . . . ?
C42A C41A C46A C45A -0.5(3) . . . . ?
P2A C41A C46A C45A -178.69(17) . . . . ?
C44A C45A C46A C41A 1.1(4) . . . . ?
C4A P3A C51A C56A 7.3(2) . . . . ?
C61A P3A C51A C56A 109.91(19) . . . . ?
Ir1A P3A C51A C56A -119.97(17) . . . . ?
C4A P3A C51A C52A -173.08(15) . . . . ?
C61A P3A C51A C52A -70.43(16) . . . . ?
Ir1A P3A C51A C52A 59.69(16) . . . . ?
C56A C51A C52A C53A 0.2(3) . . . . ?
P3A C51A C52A C53A -179.47(16) . . . . ?
C51A C52A C53A C54A 0.2(3) . . . . ?
C52A C53A C54A C55A -0.4(4) . . . . ?
C53A C54A C55A C56A 0.2(4) . . . . ?
C52A C51A C56A C55A -0.4(3) . . . . ?
P3A C51A C56A C55A 179.24(19) . . . . ?
C54A C55A C56A C51A 0.2(4) . . . . ?
C51A P3A C61A C62A 135.55(16) . . . . ?
C4A P3A C61A C62A -120.21(16) . . . . ?
Ir1A P3A C61A C62A 4.09(18) . . . . ?
C51A P3A C61A C66A -47.38(16) . . . . ?
C4A P3A C61A C66A 56.86(16) . . . . ?
Ir1A P3A C61A C66A -178.84(13) . . . . ?
C66A C61A C62A C63A -1.8(3) . . . . ?
P3A C61A C62A C63A 175.25(15) . . . . ?
C61A C62A C63A C64A -0.4(3) . . . . ?
C62A C63A C64A C65A 2.2(3) . . . . ?
C63A C64A C65A C66A -1.7(3) . . . . ?
C64A C65A C66A C61A -0.6(3) . . . . ?
C62A C61A C66A C65A 2.4(3) . . . . ?
P3A C61A C66A C65A -174.77(16) . . . . ?
C4A P4A C71A C72A 127.92(15) . . . . ?
C81A P4A C71A C72A -127.91(16) . . . . ?
Rh1A P4A C71A C72A 5.44(17) . . . . ?
C4A P4A C71A C76A -51.70(16) . . . . ?
C81A P4A C71A C76A 52.46(16) . . . . ?
Rh1A P4A C71A C76A -174.19(13) . . . . ?
C76A C71A C72A C73A 0.2(3) . . . . ?
P4A C71A C72A C73A -179.40(15) . . . . ?
C71A C72A C73A C74A 0.1(3) . . . . ?
C72A C73A C74A C75A 0.4(3) . . . . ?
C73A C74A C75A C76A -1.2(3) . . . . ?
C74A C75A C76A C71A 1.5(3) . . . . ?
C72A C71A C76A C75A -1.0(3) . . . . ?
P4A C71A C76A C75A 178.61(16) . . . . ?
C4A P4A C81A C86A 10.3(2) . . . . ?
C71A P4A C81A C86A -94.48(19) . . . . ?
Rh1A P4A C81A C86A 135.23(17) . . . . ?
C4A P4A C81A C82A -170.08(15) . . . . ?
C71A P4A C81A C82A 85.09(16) . . . . ?
Rh1A P4A C81A C82A -45.20(17) . . . . ?
C86A C81A C82A C83A 0.2(3) . . . . ?
P4A C81A C82A C83A -179.36(16) . . . . ?
C81A C82A C83A C84A -0.4(3) . . . . ?
C82A C83A C84A C85A 0.6(4) . . . . ?
C83A C84A C85A C86A -0.5(4) . . . . ?
C82A C81A C86A C85A -0.2(3) . . . . ?
P4A C81A C86A C85A 179.4(2) . . . . ?
C84A C85A C86A C81A 0.3(4) . . . . ?
Ir1A Si1A C91A C96A 6.9(2) . . . . ?
Rh1A Si1A C91A C96A 94.96(16) . . . . ?
Ir1A Si1A C91A C92A -164.99(11) . . . . ?
Rh1A Si1A C91A C92A -76.98(14) . . . . ?
C96A C91A C92A C93A -5.4(3) . . . . ?
Si1A C91A C92A C93A 167.30(15) . . . . ?
C96A C91A C92A C97A 173.44(18) . . . . ?
Si1A C91A C92A C97A -13.8(2) . . . . ?
C91A C92A C93A C94A 0.4(3) . . . . ?
C97A C92A C93A C94A -178.5(2) . . . . ?
C92A C93A C94A C95A 4.2(3) . . . . ?
C92A C93A C94A C98A -175.4(2) . . . . ?
C93A C94A C95A C96A -3.6(3) . . . . ?
C98A C94A C95A C96A 175.9(2) . . . . ?
C94A C95A C96A C91A -1.5(3) . . . . ?
C94A C95A C96A C99A 176.4(2) . . . . ?
C92A C91A C96A C95A 6.0(3) . . . . ?
Si1A C91A C96A C95A -165.88(15) . . . . ?
C92A C91A C96A C99A -171.78(18) . . . . ?
Si1A C91A C96A C99A 16.4(3) . . . . ?
C1B Ir1B Rh1B C2B 36.1(2) . . . . ?
P3B Ir1B Rh1B C2B 177.91(13) . . . . ?
P1B Ir1B Rh1B C2B -85.18(13) . . . . ?
Si1B Ir1B Rh1B C2B 6.95(13) . . . . ?
C1B Ir1B Rh1B P2B 139.48(17) . . . . ?
P3B Ir1B Rh1B P2B -78.708(15) . . . . ?
P1B Ir1B Rh1B P2B 18.208(16) . . . . ?
Si1B Ir1B Rh1B P2B 110.337(19) . . . . ?
C1B Ir1B Rh1B P4B -123.15(17) . . . . ?
P3B Ir1B Rh1B P4B 18.662(15) . . . . ?
P1B Ir1B Rh1B P4B 115.577(16) . . . . ?
Si1B Ir1B Rh1B P4B -152.294(19) . . . . ?
C1B Ir1B Rh1B Si1B 29.14(17) . . . . ?
P3B Ir1B Rh1B Si1B 170.955(18) . . . . ?
P1B Ir1B Rh1B Si1B -92.129(19) . . . . ?
C1B Ir1B P1B C21B -76.29(9) . . . . ?
P3B Ir1B P1B C21B 178.26(7) . . . . ?
Si1B Ir1B P1B C21B 31.33(7) . . . . ?
Rh1B Ir1B P1B C21B 84.41(7) . . . . ?
C1B Ir1B P1B C3B 161.04(8) . . . . ?
P3B Ir1B P1B C3B 55.59(6) . . . . ?
Si1B Ir1B P1B C3B -91.34(6) . . . . ?
Rh1B Ir1B P1B C3B -38.26(6) . . . . ?
C1B Ir1B P1B C11B 43.25(9) . . . . ?
P3B Ir1B P1B C11B -62.20(7) . . . . ?
Si1B Ir1B P1B C11B 150.87(7) . . . . ?
Rh1B Ir1B P1B C11B -156.05(7) . . . . ?
C2B Rh1B P2B C31B 34.19(9) . . . . ?
P4B Rh1B P2B C31B 150.95(7) . . . . ?
Si1B Rh1B P2B C31B -68.81(7) . . . . ?
Ir1B Rh1B P2B C31B -120.37(7) . . . . ?
C2B Rh1B P2B C41B -83.75(9) . . . . ?
P4B Rh1B P2B C41B 33.00(7) . . . . ?
Si1B Rh1B P2B C41B 173.24(7) . . . . ?
Ir1B Rh1B P2B C41B 121.68(7) . . . . ?
C2B Rh1B P2B C3B 156.96(9) . . . . ?
P4B Rh1B P2B C3B -86.29(7) . . . . ?
Si1B Rh1B P2B C3B 53.96(7) . . . . ?
Ir1B Rh1B P2B C3B 2.39(6) . . . . ?
C1B Ir1B P3B C51B -68.18(9) . . . . ?
P1B Ir1B P3B C51B 33.61(7) . . . . ?
Si1B Ir1B P3B C51B 138.73(7) . . . . ?
Rh1B Ir1B P3B C51B 125.87(7) . . . . ?
C1B Ir1B P3B C4B 169.62(9) . . . . ?
P1B Ir1B P3B C4B -88.59(6) . . . . ?
Si1B Ir1B P3B C4B 16.53(7) . . . . ?
Rh1B Ir1B P3B C4B 3.68(6) . . . . ?
C1B Ir1B P3B C61B 52.85(9) . . . . ?
P1B Ir1B P3B C61B 154.64(6) . . . . ?
Si1B Ir1B P3B C61B -100.24(7) . . . . ?
Rh1B Ir1B P3B C61B -113.10(6) . . . . ?
C2B Rh1B P4B C81B 29.91(9) . . . . ?
P2B Rh1B P4B C81B -69.10(7) . . . . ?
Si1B Rh1B P4B C81B 168.93(7) . . . . ?
Ir1B Rh1B P4B C81B -160.06(7) . . . . ?
C2B Rh1B P4B C4B 148.97(9) . . . . ?
P2B Rh1B P4B C4B 49.97(6) . . . . ?
Si1B Rh1B P4B C4B -72.00(6) . . . . ?
Ir1B Rh1B P4B C4B -40.99(6) . . . . ?
C2B Rh1B P4B C71B -90.27(9) . . . . ?
P2B Rh1B P4B C71B 170.73(7) . . . . ?
Si1B Rh1B P4B C71B 48.76(7) . . . . ?
Ir1B Rh1B P4B C71B 79.77(7) . . . . ?
C2B Rh1B Si1B C91B 54.29(10) . . . . ?
P2B Rh1B Si1B C91B 152.81(7) . . . . ?
P4B Rh1B Si1B C91B -88.72(8) . . . . ?
Ir1B Rh1B Si1B C91B -128.82(8) . . . . ?
C2B Rh1B Si1B Ir1B -176.89(6) . . . . ?
P2B Rh1B Si1B Ir1B -78.377(16) . . . . ?
P4B Rh1B Si1B Ir1B 40.10(2) . . . . ?
C1B Ir1B Si1B C91B -57.07(10) . . . . ?
P3B Ir1B Si1B C91B 95.61(8) . . . . ?
P1B Ir1B Si1B C91B -158.08(8) . . . . ?
Rh1B Ir1B Si1B C91B 111.75(8) . . . . ?
C1B Ir1B Si1B Rh1B -168.82(7) . . . . ?
P3B Ir1B Si1B Rh1B -16.13(3) . . . . ?
P1B Ir1B Si1B Rh1B 90.172(14) . . . . ?
P3B Ir1B C1B O1B -87(4) . . . . ?
P1B Ir1B C1B O1B 174(100) . . . . ?
Si1B Ir1B C1B O1B 78(4) . . . . ?
Rh1B Ir1B C1B O1B 54(4) . . . . ?
P2B Rh1B C2B O2B -106(2) . . . . ?
P4B Rh1B C2B O2B 153(2) . . . . ?
Si1B Rh1B C2B O2B 2(2) . . . . ?
Ir1B Rh1B C2B O2B -4(2) . . . . ?
C21B P1B C3B P2B -82.49(11) . . . . ?
C11B P1B C3B P2B 175.56(9) . . . . ?
Ir1B P1B C3B P2B 47.55(10) . . . . ?
C31B P2B C3B P1B 100.15(10) . . . . ?
C41B P2B C3B P1B -157.44(9) . . . . ?
Rh1B P2B C3B P1B -30.46(11) . . . . ?
C51B P3B C4B P4B -164.29(9) . . . . ?
C61B P3B C4B P4B 92.71(10) . . . . ?
Ir1B P3B C4B P4B -33.10(10) . . . . ?
C81B P4B C4B P3B -178.04(9) . . . . ?
C71B P4B C4B P3B -77.60(10) . . . . ?
Rh1B P4B C4B P3B 52.40(10) . . . . ?
C21B P1B C11B C16B -107.99(17) . . . . ?
C3B P1B C11B C16B 0.42(18) . . . . ?
Ir1B P1B C11B C16B 122.12(15) . . . . ?
C21B P1B C11B C12B 66.48(17) . . . . ?
C3B P1B C11B C12B 174.89(16) . . . . ?
Ir1B P1B C11B C12B -63.40(17) . . . . ?
C16B C11B C12B C13B 2.0(3) . . . . ?
P1B C11B C12B C13B -172.75(18) . . . . ?
C11B C12B C13B C14B -0.5(4) . . . . ?
C12B C13B C14B C15B -1.3(4) . . . . ?
C13B C14B C15B C16B 1.6(4) . . . . ?
C12B C11B C16B C15B -1.7(3) . . . . ?
P1B C11B C16B C15B 172.76(17) . . . . ?
C14B C15B C16B C11B 0.0(3) . . . . ?
C3B P1B C21B C26B -14.80(18) . . . . ?
C11B P1B C21B C26B 90.44(17) . . . . ?
Ir1B P1B C21B C26B -139.39(14) . . . . ?
C3B P1B C21B C22B 167.75(15) . . . . ?
C11B P1B C21B C22B -87.01(16) . . . . ?
Ir1B P1B C21B C22B 43.16(17) . . . . ?
C26B C21B C22B C23B 0.3(3) . . . . ?
P1B C21B C22B C23B 177.90(17) . . . . ?
C21B C22B C23B C24B 1.7(3) . . . . ?
C22B C23B C24B C25B -2.0(4) . . . . ?
C23B C24B C25B C26B 0.4(4) . . . . ?
C22B C21B C26B C25B -2.0(3) . . . . ?
P1B C21B C26B C25B -179.40(16) . . . . ?
C24B C25B C26B C21B 1.6(3) . . . . ?
C41B P2B C31B C32B 151.00(15) . . . . ?
C3B P2B C31B C32B -104.97(15) . . . . ?
Rh1B P2B C31B C32B 24.49(17) . . . . ?
C41B P2B C31B C36B -32.19(17) . . . . ?
C3B P2B C31B C36B 71.84(17) . . . . ?
Rh1B P2B C31B C36B -158.70(14) . . . . ?
C36B C31B C32B C33B -0.5(3) . . . . ?
P2B C31B C32B C33B 176.36(15) . . . . ?
C31B C32B C33B C34B 0.3(3) . . . . ?
C32B C33B C34B C35B 0.2(3) . . . . ?
C33B C34B C35B C36B -0.3(4) . . . . ?
C34B C35B C36B C31B 0.1(3) . . . . ?
C32B C31B C36B C35B 0.3(3) . . . . ?
P2B C31B C36B C35B -176.50(17) . . . . ?
C31B P2B C41B C46B 103.34(17) . . . . ?
C3B P2B C41B C46B -1.62(18) . . . . ?
Rh1B P2B C41B C46B -128.74(15) . . . . ?
C31B P2B C41B C42B -74.97(15) . . . . ?
C3B P2B C41B C42B -179.93(14) . . . . ?
Rh1B P2B C41B C42B 52.95(15) . . . . ?
C46B C41B C42B C43B -0.1(3) . . . . ?
P2B C41B C42B C43B 178.36(15) . . . . ?
C41B C42B C43B C44B 1.3(3) . . . . ?
C42B C43B C44B C45B -1.4(3) . . . . ?
C43B C44B C45B C46B 0.2(3) . . . . ?
C42B C41B C46B C45B -1.1(3) . . . . ?
P2B C41B C46B C45B -179.40(15) . . . . ?
C44B C45B C46B C41B 1.0(3) . . . . ?
C4B P3B C51B C56B 11.70(18) . . . . ?
C61B P3B C51B C56B 114.98(17) . . . . ?
Ir1B P3B C51B C56B -116.05(15) . . . . ?
C4B P3B C51B C52B -169.43(14) . . . . ?
C61B P3B C51B C52B -66.14(16) . . . . ?
Ir1B P3B C51B C52B 62.83(16) . . . . ?
C56B C51B C52B C53B -1.7(3) . . . . ?
P3B C51B C52B C53B 179.38(16) . . . . ?
C51B C52B C53B C54B 0.5(3) . . . . ?
C52B C53B C54B C55B 0.9(3) . . . . ?
C53B C54B C55B C56B -1.1(4) . . . . ?
C54B C55B C56B C51B -0.1(3) . . . . ?
C52B C51B C56B C55B 1.5(3) . . . . ?
P3B C51B C56B C55B -179.65(16) . . . . ?
C51B P3B C61B C62B 135.14(17) . . . . ?
C4B P3B C61B C62B -119.89(17) . . . . ?
Ir1B P3B C61B C62B 4.21(18) . . . . ?
C51B P3B C61B C66B -48.01(17) . . . . ?
C4B P3B C61B C66B 56.96(17) . . . . ?
Ir1B P3B C61B C66B -178.94(13) . . . . ?
C66B C61B C62B C63B -1.3(3) . . . . ?
P3B C61B C62B C63B 175.57(17) . . . . ?
C61B C62B C63B C64B 0.1(4) . . . . ?
C62B C63B C64B C65B 0.8(4) . . . . ?
C63B C64B C65B C66B -0.4(4) . . . . ?
C64B C65B C66B C61B -0.9(3) . . . . ?
C62B C61B C66B C65B 1.7(3) . . . . ?
P3B C61B C66B C65B -175.22(17) . . . . ?
C81B P4B C71B C72B -119.24(16) . . . . ?
C4B P4B C71B C72B 136.66(16) . . . . ?
Rh1B P4B C71B C72B 12.00(18) . . . . ?
C81B P4B C71B C76B 54.80(17) . . . . ?
C4B P4B C71B C76B -49.30(17) . . . . ?
Rh1B P4B C71B C76B -173.97(13) . . . . ?
C76B C71B C72B C73B 0.0(3) . . . . ?
P4B C71B C72B C73B 174.18(16) . . . . ?
C71B C72B C73B C74B 0.1(3) . . . . ?
C72B C73B C74B C75B 0.3(4) . . . . ?
C73B C74B C75B C76B -0.6(4) . . . . ?
C74B C75B C76B C71B 0.7(3) . . . . ?
C72B C71B C76B C75B -0.4(3) . . . . ?
P4B C71B C76B C75B -174.65(16) . . . . ?
C4B P4B C81B C86B 3.40(17) . . . . ?
C71B P4B C81B C86B -101.96(16) . . . . ?
Rh1B P4B C81B C86B 127.12(14) . . . . ?
C4B P4B C81B C82B -178.78(14) . . . . ?
C71B P4B C81B C82B 75.86(15) . . . . ?
Rh1B P4B C81B C82B -55.06(15) . . . . ?
C86B C81B C82B C83B 1.4(3) . . . . ?
P4B C81B C82B C83B -176.57(15) . . . . ?
C81B C82B C83B C84B -1.6(3) . . . . ?
C82B C83B C84B C85B 0.5(3) . . . . ?
C83B C84B C85B C86B 0.8(3) . . . . ?
C84B C85B C86B C81B -1.0(3) . . . . ?
C82B C81B C86B C85B -0.1(3) . . . . ?
P4B C81B C86B C85B 177.74(15) . . . . ?
Rh1B Si1B C91B C96B 85.15(17) . . . . ?
Ir1B Si1B C91B C96B -6.6(2) . . . . ?
Rh1B Si1B C91B C92B -88.64(16) . . . . ?
Ir1B Si1B C91B C92B 179.56(12) . . . . ?
C96B C91B C92B C93B -3.0(3) . . . . ?
Si1B C91B C92B C93B 171.34(17) . . . . ?
C96B C91B C92B C97B 179.4(2) . . . . ?
Si1B C91B C92B C97B -6.3(3) . . . . ?
C91B C92B C93B C94B 0.2(4) . . . . ?
C97B C92B C93B C94B 177.9(2) . . . . ?
C92B C93B C94B C95B 2.6(4) . . . . ?
C92B C93B C94B C98B -175.1(2) . . . . ?
C93B C94B C95B C96B -2.4(4) . . . . ?
C98B C94B C95B C96B 175.2(2) . . . . ?
C94B C95B C96B C91B -0.4(3) . . . . ?
C94B C95B C96B C99B -179.4(2) . . . . ?
C92B C91B C96B C95B 3.1(3) . . . . ?
Si1B C91B C96B C95B -170.67(16) . . . . ?
C92B C91B C96B C99B -177.99(19) . . . . ?
Si1B C91B C96B C99B 8.2(3) . . . . ?
