#------------------------------------------------------------------------------
#$Date: 2016-03-23 20:15:11 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179404 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/01/4330147.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_4330147
loop_
_publ_author_name
'Md Hosnay Mobarok'
'Robert McDonald'
'Michael J. Ferguson'
'Martin Cowie'
_publ_section_title
;
 Mixed Bis(μ-silylene) and (μ-Silylene)/(μ-Germylene) Complexes
 Involving the Rh/Ir Metal Combination: Nature of the Si...Si Interactions
 in the Bis(μ-silylene) Species
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9249
_journal_page_last               9258
_journal_paper_doi               10.1021/ic300720y
_journal_volume                  51
_journal_year                    2012
_chemical_formula_moiety         'C65 H58 Ge Ir O2 P4 Rh Si, 2.5(C6 H6)'
_chemical_formula_sum            'C80 H73 Ge Ir O2 P4 Rh Si'
_chemical_formula_weight         1586.05
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 96.4467(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   20.1747(7)
_cell_length_b                   22.4687(8)
_cell_length_c                   30.2707(11)
_cell_measurement_reflns_used    7851
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      22.15
_cell_measurement_theta_min      2.31
_cell_volume                     13634.9(8)
_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    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0356
_diffrn_reflns_av_sigmaI/netI    0.0291
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            59858
_diffrn_reflns_theta_full        27.55
_diffrn_reflns_theta_max         27.55
_diffrn_reflns_theta_min         1.36
_exptl_absorpt_coefficient_mu    2.784
_exptl_absorpt_correction_T_max  0.7311
_exptl_absorpt_correction_T_min  0.6059
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.545
_exptl_crystal_description       prism
_exptl_crystal_F_000             6376
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.644
_refine_diff_density_min         -0.776
_refine_diff_density_rms         0.106
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     817
_refine_ls_number_reflns         15693
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.088
_refine_ls_R_factor_all          0.0340
_refine_ls_R_factor_gt           0.0247
_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)+(0.0332P)²+7.1558P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0600
_refine_ls_wR_factor_ref         0.0677
_reflns_number_gt                13333
_reflns_number_total             15693
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic300720y_si_002_1.cif
_cod_data_source_block           cow1146
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4330147
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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
IrA Ir 0.261977(6) 0.030179(6) 0.146559(4) 0.02013(4) Uani 0.50 1 d P A 1
RhA Rh 0.143056(6) 0.014622(5) 0.090147(4) 0.01979(4) Uani 0.50 1 d P A 1
IrB Ir 0.143056(6) 0.014622(5) 0.090147(4) 0.01979(4) Uani 0.50 1 d P A 2
RhB Rh 0.261977(6) 0.030179(6) 0.146559(4) 0.02013(4) Uani 0.50 1 d P A 2
Ge Ge 0.254967(14) 0.012610(12) 0.066554(9) 0.02250(6) Uani 1 1 d . . .
H1GE H 0.2713(14) 0.0662(13) 0.0410(9) 0.036(8) Uiso 1 1 d . . .
P1 P 0.28012(3) 0.12947(3) 0.12683(2) 0.02201(13) Uani 1 1 d . . .
P2 P 0.14460(3) 0.11475(3) 0.06401(2) 0.02100(13) Uani 1 1 d . . .
P3 P 0.20199(3) 0.04802(3) 0.20725(2) 0.02279(14) Uani 1 1 d . . .
P4 P 0.07069(3) 0.01694(3) 0.14455(2) 0.02177(13) Uani 1 1 d . . .
Si Si 0.20298(3) -0.06110(3) 0.13480(2) 0.02031(14) Uani 1 1 d . . .
O1 O 0.40268(13) -0.00895(14) 0.17580(10) 0.0737(9) Uani 1 1 d . A .
O2 O 0.07031(13) -0.05054(10) 0.01240(7) 0.0518(6) Uani 1 1 d . A .
C1 C 0.34815(15) 0.00532(14) 0.16568(10) 0.0383(7) Uani 1 1 d . . .
C2 C 0.09712(15) -0.02542(12) 0.04237(9) 0.0307(6) Uani 1 1 d . . .
C3 C 0.17589(14) -0.10658(12) 0.18318(9) 0.0315(6) Uani 1 1 d . A .
H3A H 0.2137 -0.1302 0.1967 0.038 Uiso 1 1 calc R . .
H3B H 0.1393 -0.1332 0.1721 0.038 Uiso 1 1 calc R . .
H3C H 0.1608 -0.0796 0.2055 0.038 Uiso 1 1 calc R . .
C4 C 0.20361(12) 0.16322(11) 0.09838(8) 0.0234(5) Uani 1 1 d . A .
H4A H 0.2172 0.1956 0.0791 0.028 Uiso 1 1 calc R . .
H4B H 0.1791 0.1819 0.1213 0.028 Uiso 1 1 calc R . .
C5 C 0.11276(13) 0.02509(11) 0.20184(8) 0.0247(5) Uani 1 1 d . A .
H5A H 0.1097 -0.0134 0.2174 0.030 Uiso 1 1 calc R . .
H5B H 0.0877 0.0548 0.2176 0.030 Uiso 1 1 calc R . .
C11 C 0.34676(13) 0.14703(11) 0.09172(8) 0.0248(5) Uani 1 1 d . A .
C12 C 0.35372(14) 0.20512(12) 0.07683(9) 0.0304(6) Uani 1 1 d . . .
H12 H 0.3238 0.2350 0.0846 0.036 Uiso 1 1 calc R A .
C13 C 0.40342(14) 0.22010(13) 0.05090(10) 0.0352(7) Uani 1 1 d . A .
H13 H 0.4066 0.2597 0.0403 0.042 Uiso 1 1 calc R . .
C14 C 0.44844(15) 0.17733(14) 0.04051(10) 0.0394(7) Uani 1 1 d . . .
H14 H 0.4827 0.1873 0.0227 0.047 Uiso 1 1 calc R A .
C15 C 0.44332(15) 0.12006(14) 0.05614(10) 0.0389(7) Uani 1 1 d . A .
H15 H 0.4745 0.0907 0.0493 0.047 Uiso 1 1 calc R . .
C16 C 0.39297(14) 0.10503(13) 0.08182(9) 0.0310(6) Uani 1 1 d . . .
H16 H 0.3902 0.0655 0.0927 0.037 Uiso 1 1 calc R A .
C21 C 0.30620(13) 0.18447(12) 0.17051(8) 0.0263(6) Uani 1 1 d . A .
C22 C 0.28119(15) 0.24207(12) 0.17202(9) 0.0316(6) Uani 1 1 d . . .
H22 H 0.2456 0.2544 0.1508 0.038 Uiso 1 1 calc R A .
C23 C 0.30827(16) 0.28153(13) 0.20448(10) 0.0386(7) Uani 1 1 d . A .
H23 H 0.2907 0.3207 0.2056 0.046 Uiso 1 1 calc R . .
C24 C 0.36030(17) 0.26435(15) 0.23503(10) 0.0433(8) Uani 1 1 d . . .
H24 H 0.3788 0.2917 0.2570 0.052 Uiso 1 1 calc R A .
C25 C 0.38545(17) 0.20770(15) 0.23378(10) 0.0436(8) Uani 1 1 d . A .
H25 H 0.4216 0.1959 0.2548 0.052 Uiso 1 1 calc R . .
C26 C 0.35802(15) 0.16758(14) 0.20186(9) 0.0349(7) Uani 1 1 d . . .
H26 H 0.3750 0.1282 0.2016 0.042 Uiso 1 1 calc R A .
C31 C 0.06937(13) 0.16248(11) 0.05783(8) 0.0231(5) Uani 1 1 d . A .
C32 C 0.05251(15) 0.20025(13) 0.09129(10) 0.0344(6) Uani 1 1 d . . .
H32 H 0.0809 0.2026 0.1185 0.041 Uiso 1 1 calc R A .
C33 C -0.00486(15) 0.23443(13) 0.08560(11) 0.0410(7) Uani 1 1 d . A .
H33 H -0.0156 0.2596 0.1090 0.049 Uiso 1 1 calc R . .
C34 C -0.04640(14) 0.23215(13) 0.04633(11) 0.0371(7) Uani 1 1 d . . .
H34 H -0.0851 0.2564 0.0422 0.045 Uiso 1 1 calc R A .
C35 C -0.03142(14) 0.19451(14) 0.01315(11) 0.0374(7) Uani 1 1 d . A .
H35 H -0.0603 0.1922 -0.0138 0.045 Uiso 1 1 calc R . .
C36 C 0.02573(13) 0.15986(12) 0.01892(9) 0.0309(6) Uani 1 1 d . . .
H36 H 0.0353 0.1337 -0.0042 0.037 Uiso 1 1 calc R A .
C41 C 0.16838(13) 0.12226(11) 0.00729(8) 0.0257(6) Uani 1 1 d . A .
C42 C 0.21438(14) 0.16410(12) -0.00434(9) 0.0310(6) Uani 1 1 d . . .
H42 H 0.2343 0.1911 0.0174 0.037 Uiso 1 1 calc R A .
C43 C 0.23121(16) 0.16643(14) -0.04740(10) 0.0404(8) Uani 1 1 d . A .
H43 H 0.2639 0.1941 -0.0547 0.048 Uiso 1 1 calc R . .
C44 C 0.20113(17) 0.12917(15) -0.07969(10) 0.0447(8) Uani 1 1 d . . .
H44 H 0.2123 0.1318 -0.1093 0.054 Uiso 1 1 calc R A .
C45 C 0.15484(17) 0.08810(14) -0.06897(10) 0.0417(8) Uani 1 1 d . A .
H45 H 0.1335 0.0626 -0.0912 0.050 Uiso 1 1 calc R . .
C46 C 0.13969(15) 0.08424(13) -0.02562(9) 0.0334(6) Uani 1 1 d . . .
H46 H 0.1089 0.0549 -0.0182 0.040 Uiso 1 1 calc R A .
C51 C 0.23163(14) 0.01185(12) 0.26022(9) 0.0280(6) Uani 1 1 d . A .
C52 C 0.28731(16) -0.02497(14) 0.26326(10) 0.0378(7) Uani 1 1 d . . .
H52 H 0.3094 -0.0320 0.2376 0.045 Uiso 1 1 calc R A .
C53 C 0.31099(17) -0.05156(16) 0.30326(11) 0.0482(8) Uani 1 1 d . A .
H53 H 0.3489 -0.0768 0.3048 0.058 Uiso 1 1 calc R . .
C54 C 0.27972(18) -0.04149(16) 0.34082(11) 0.0485(9) Uani 1 1 d . . .
H54 H 0.2966 -0.0590 0.3684 0.058 Uiso 1 1 calc R A .
C55 C 0.22400(19) -0.00587(15) 0.33803(10) 0.0458(8) Uani 1 1 d . A .
H55 H 0.2021 0.0008 0.3638 0.055 Uiso 1 1 calc R . .
C56 C 0.19938(16) 0.02049(13) 0.29801(10) 0.0362(7) Uani 1 1 d . . .
H56 H 0.1604 0.0445 0.2964 0.043 Uiso 1 1 calc R A .
C61 C 0.19149(13) 0.12475(11) 0.22580(9) 0.0269(6) Uani 1 1 d . A .
C62 C 0.23305(15) 0.15013(13) 0.26074(9) 0.0326(6) Uani 1 1 d . . .
H62 H 0.2685 0.1274 0.2757 0.039 Uiso 1 1 calc R A .
C63 C 0.22287(17) 0.20836(14) 0.27381(11) 0.0421(8) Uani 1 1 d . A .
H63 H 0.2510 0.2250 0.2980 0.050 Uiso 1 1 calc R . .
C64 C 0.17287(18) 0.24185(14) 0.25228(11) 0.0461(8) Uani 1 1 d . . .
H64 H 0.1659 0.2815 0.2617 0.055 Uiso 1 1 calc R A .
C65 C 0.13227(17) 0.21810(13) 0.21661(11) 0.0426(8) Uani 1 1 d . A .
H65 H 0.0985 0.2418 0.2009 0.051 Uiso 1 1 calc R . .
C66 C 0.14124(15) 0.15960(12) 0.20403(9) 0.0325(6) Uani 1 1 d . . .
H66 H 0.1125 0.1431 0.1801 0.039 Uiso 1 1 calc R A .
C71 C -0.00056(13) 0.06889(11) 0.14114(9) 0.0251(5) Uani 1 1 d . A .
C72 C -0.04008(13) 0.07027(12) 0.10028(9) 0.0294(6) Uani 1 1 d . . .
H72 H -0.0259 0.0494 0.0757 0.035 Uiso 1 1 calc R A .
C73 C -0.09942(15) 0.10134(13) 0.09487(11) 0.0376(7) Uani 1 1 d . A .
H73 H -0.1261 0.1013 0.0669 0.045 Uiso 1 1 calc R . .
C74 C -0.11998(15) 0.13275(13) 0.13056(11) 0.0403(7) Uani 1 1 d . . .
H74 H -0.1612 0.1536 0.1272 0.048 Uiso 1 1 calc R A .
C75 C -0.08062(15) 0.13352(13) 0.17072(10) 0.0370(7) Uani 1 1 d . A .
H75 H -0.0939 0.1559 0.1948 0.044 Uiso 1 1 calc R . .
C76 C -0.02143(14) 0.10147(12) 0.17595(9) 0.0308(6) Uani 1 1 d . . .
H76 H 0.0053 0.1019 0.2039 0.037 Uiso 1 1 calc R A .
C81 C 0.02113(13) -0.05108(12) 0.15004(9) 0.0260(5) Uani 1 1 d . A .
C82 C 0.02276(14) -0.09788(12) 0.12027(10) 0.0308(6) Uani 1 1 d . . .
H82 H 0.0498 -0.0948 0.0966 0.037 Uiso 1 1 calc R A .
C83 C -0.01436(16) -0.14901(13) 0.12446(11) 0.0391(7) Uani 1 1 d . A .
H83 H -0.0130 -0.1804 0.1036 0.047 Uiso 1 1 calc R . .
C84 C -0.05306(16) -0.15430(14) 0.15876(11) 0.0435(8) Uani 1 1 d . . .
H84 H -0.0781 -0.1896 0.1619 0.052 Uiso 1 1 calc R A .
C85 C -0.05551(17) -0.10830(15) 0.18864(12) 0.0485(9) Uani 1 1 d . A .
H85 H -0.0822 -0.1119 0.2124 0.058 Uiso 1 1 calc R . .
C86 C -0.01910(16) -0.05689(13) 0.18410(10) 0.0383(7) Uani 1 1 d . . .
H86 H -0.0217 -0.0252 0.2046 0.046 Uiso 1 1 calc R A .
C91 C 0.29850(13) -0.04883(12) 0.03404(9) 0.0276(6) Uani 1 1 d . A .
C92 C 0.36098(15) -0.07104(13) 0.04836(10) 0.0346(6) Uani 1 1 d . . .
H92 H 0.3818 -0.0602 0.0769 0.042 Uiso 1 1 calc R A .
C93 C 0.39401(18) -0.10875(14) 0.02198(11) 0.0469(8) Uani 1 1 d . A .
H93 H 0.4372 -0.1232 0.0324 0.056 Uiso 1 1 calc R . .
C94 C 0.36433(19) -0.12515(15) -0.01910(12) 0.0521(9) Uani 1 1 d . . .
H94 H 0.3869 -0.1511 -0.0372 0.063 Uiso 1 1 calc R A .
C95 C 0.30171(19) -0.10396(17) -0.03426(12) 0.0568(10) Uani 1 1 d . A .
H95 H 0.2808 -0.1157 -0.0626 0.068 Uiso 1 1 calc R . .
C96 C 0.26951(16) -0.06549(15) -0.00796(11) 0.0448(8) Uani 1 1 d . . .
H96 H 0.2269 -0.0502 -0.0188 0.054 Uiso 1 1 calc R A .
C101 C 0.23606(14) -0.12841(11) 0.10639(9) 0.0272(6) Uani 1 1 d . A .
C102 C 0.29278(15) -0.15791(12) 0.12578(10) 0.0351(7) Uani 1 1 d . . .
H102 H 0.3179 -0.1408 0.1510 0.042 Uiso 1 1 calc R A .
C103 C 0.31357(16) -0.21134(14) 0.10934(11) 0.0432(8) Uani 1 1 d . A .
H103 H 0.3523 -0.2305 0.1234 0.052 Uiso 1 1 calc R . .
C104 C 0.27826(17) -0.23686(13) 0.07268(11) 0.0435(8) Uani 1 1 d . . .
H104 H 0.2928 -0.2733 0.0612 0.052 Uiso 1 1 calc R A .
C105 C 0.22190(18) -0.20938(14) 0.05284(11) 0.0475(8) Uani 1 1 d . A .
H105 H 0.1969 -0.2270 0.0277 0.057 Uiso 1 1 calc R . .
C106 C 0.20146(15) -0.15540(13) 0.06965(10) 0.0373(7) Uani 1 1 d . . .
H106 H 0.1626 -0.1366 0.0555 0.045 Uiso 1 1 calc R A .
C11S C 0.5566(3) -0.0180(2) 0.08556(19) 0.094(2) Uani 1 1 d . . .
H11S H 0.5423 0.0221 0.0878 0.112 Uiso 1 1 calc R . .
C12S C 0.5389(2) -0.0598(3) 0.11468(17) 0.0828(15) Uani 1 1 d . . .
H12S H 0.5112 -0.0490 0.1368 0.099 Uiso 1 1 calc R . .
C13S C 0.5607(2) -0.1169(2) 0.11235(15) 0.0736(13) Uani 1 1 d . . .
H13S H 0.5498 -0.1457 0.1334 0.088 Uiso 1 1 calc R . .
C14S C 0.5981(2) -0.13245(18) 0.07953(15) 0.0656(11) Uani 1 1 d . . .
H14S H 0.6119 -0.1726 0.0770 0.079 Uiso 1 1 calc R . .
C15S C 0.61600(19) -0.0911(2) 0.05044(13) 0.0593(10) Uani 1 1 d . . .
H15S H 0.6432 -0.1025 0.0282 0.071 Uiso 1 1 calc R . .
C16S C 0.5957(3) -0.0344(2) 0.05262(16) 0.0793(14) Uani 1 1 d . . .
H16S H 0.6080 -0.0058 0.0319 0.095 Uiso 1 1 calc R . .
C21S C 0.4689(3) 0.1286(3) 0.33191(17) 0.0904(16) Uani 1 1 d . . .
H21S H 0.5069 0.1110 0.3211 0.109 Uiso 1 1 calc R . .
C22S C 0.4707(2) 0.1859(2) 0.34586(15) 0.0773(14) Uani 1 1 d . . .
H22S H 0.5102 0.2087 0.3448 0.093 Uiso 1 1 calc R . .
C23S C 0.4161(3) 0.2114(2) 0.36146(14) 0.0807(14) Uani 1 1 d . . .
H23S H 0.4174 0.2518 0.3706 0.097 Uiso 1 1 calc R . .
C24S C 0.3593(3) 0.1778(3) 0.36372(16) 0.0994(19) Uani 1 1 d . . .
H24S H 0.3213 0.1946 0.3748 0.119 Uiso 1 1 calc R . .
C25S C 0.3586(3) 0.1203(4) 0.34987(19) 0.113(3) Uani 1 1 d . . .
H25S H 0.3200 0.0967 0.3517 0.136 Uiso 1 1 calc R . .
C26S C 0.4121(4) 0.0964(3) 0.33356(19) 0.107(2) Uani 1 1 d . . .
H26S H 0.4101 0.0565 0.3231 0.128 Uiso 1 1 calc R . .
C31S C 0.0000 0.2758(3) 0.2500 0.0772(19) Uani 1 2 d S . .
H31S H 0.0000 0.2335 0.2500 0.093 Uiso 1 2 calc SR . .
C32S C 0.0324(2) 0.3060(3) 0.28478(17) 0.0813(14) Uani 1 1 d . . .
H32S H 0.0554 0.2849 0.3091 0.098 Uiso 1 1 calc R . .
C33S C 0.0320(3) 0.3668(3) 0.2849(2) 0.112(2) Uani 1 1 d . . .
H33S H 0.0544 0.3875 0.3096 0.135 Uiso 1 1 calc R . .
C34S C 0.0000 0.3990(4) 0.2500 0.124(3) Uani 1 2 d S . .
H34S H 0.0000 0.4413 0.2500 0.148 Uiso 1 2 calc SR . .
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'
Ge Ge 0.1547 1.8001 '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
C1 IrA P3 110.79(10) . .
C1 IrA P1 101.41(10) . .
P3 IrA P1 98.37(2) . .
C1 IrA Si 102.87(10) . .
P3 IrA Si 88.34(2) . .
P1 IrA Si 150.56(2) . .
C1 IrA Ge 102.04(10) . .
P3 IrA Ge 145.791(19) . .
P1 IrA Ge 83.960(18) . .
Si IrA Ge 74.924(18) . .
C1 IrA RhA 149.25(10) . .
P3 IrA RhA 90.967(17) . .
P1 IrA RhA 96.349(17) . .
Si IrA RhA 54.699(17) . .
Ge IrA RhA 54.973(7) . .
C2 RhA P4 105.33(9) . .
C2 RhA P2 102.84(8) . .
P4 RhA P2 104.29(2) . .
C2 RhA Si 105.61(8) . .
P4 RhA Si 86.21(2) . .
P2 RhA Si 145.75(2) . .
C2 RhA Ge 99.20(9) . .
P4 RhA Ge 152.038(19) . .
P2 RhA Ge 82.741(17) . .
Si RhA Ge 74.295(17) . .
C2 RhA IrA 148.30(9) . .
P4 RhA IrA 97.376(18) . .
P2 RhA IrA 92.420(17) . .
Si RhA IrA 53.579(17) . .
Ge RhA IrA 54.920(8) . .
C91 Ge IrA 129.25(8) . .
C91 Ge RhA 129.85(8) . .
IrA Ge RhA 70.106(8) . .
C21 P1 C4 102.47(12) . .
C21 P1 C11 95.86(12) . .
C4 P1 C11 105.57(12) . .
C21 P1 IrA 119.64(9) . .
C4 P1 IrA 111.30(8) . .
C11 P1 IrA 119.55(9) . .
C41 P2 C4 104.62(12) . .
C41 P2 C31 98.58(11) . .
C4 P2 C31 100.65(11) . .
C41 P2 RhA 114.20(8) . .
C4 P2 RhA 113.64(8) . .
C31 P2 RhA 122.60(8) . .
C61 P3 C51 100.74(12) . .
C61 P3 C5 98.23(12) . .
C51 P3 C5 99.85(12) . .
C61 P3 IrA 119.23(8) . .
C51 P3 IrA 117.53(9) . .
C5 P3 IrA 117.56(8) . .
C81 P4 C71 95.87(12) . .
C81 P4 C5 101.16(12) . .
C71 P4 C5 105.19(12) . .
C81 P4 RhA 115.85(9) . .
C71 P4 RhA 121.51(8) . .
C5 P4 RhA 114.08(9) . .
C101 Si C3 93.81(12) . .
C101 Si IrA 124.03(9) . .
C3 Si IrA 121.79(9) . .
C101 Si RhA 119.20(9) . .
C3 Si RhA 129.56(9) . .
IrA Si RhA 71.722(19) . .
O1 C1 IrA 176.8(3) . .
O2 C2 RhA 178.2(3) . .
P1 C4 P2 118.27(13) . .
P4 C5 P3 116.52(13) . .
C16 C11 C12 118.3(2) . .
C16 C11 P1 122.1(2) . .
C12 C11 P1 119.5(2) . .
C13 C12 C11 121.2(3) . .
C14 C13 C12 119.8(3) . .
C15 C14 C13 119.6(3) . .
C14 C15 C16 120.5(3) . .
C11 C16 C15 120.6(3) . .
C26 C21 C22 118.8(3) . .
C26 C21 P1 116.2(2) . .
C22 C21 P1 124.9(2) . .
C23 C22 C21 120.1(3) . .
C24 C23 C22 120.5(3) . .
C25 C24 C23 119.9(3) . .
C24 C25 C26 120.1(3) . .
C21 C26 C25 120.7(3) . .
C36 C31 C32 117.3(2) . .
C36 C31 P2 119.7(2) . .
C32 C31 P2 123.0(2) . .
C33 C32 C31 121.1(3) . .
C34 C33 C32 120.4(3) . .
C35 C34 C33 119.5(3) . .
C34 C35 C36 120.2(3) . .
C35 C36 C31 121.5(3) . .
C46 C41 C42 118.0(2) . .
C46 C41 P2 118.8(2) . .
C42 C41 P2 123.2(2) . .
C43 C42 C41 120.3(3) . .
C44 C43 C42 120.7(3) . .
C43 C44 C45 119.8(3) . .
C44 C45 C46 119.6(3) . .
C45 C46 C41 121.6(3) . .
C52 C51 C56 118.5(3) . .
C52 C51 P3 120.2(2) . .
C56 C51 P3 121.3(2) . .
C53 C52 C51 120.7(3) . .
C54 C53 C52 120.3(3) . .
C55 C54 C53 119.4(3) . .
C54 C55 C56 120.8(3) . .
C55 C56 C51 120.2(3) . .
C66 C61 C62 118.3(3) . .
C66 C61 P3 119.3(2) . .
C62 C61 P3 122.4(2) . .
C63 C62 C61 120.4(3) . .
C64 C63 C62 120.6(3) . .
C63 C64 C65 120.0(3) . .
C66 C65 C64 119.7(3) . .
C65 C66 C61 121.0(3) . .
C76 C71 C72 118.0(2) . .
C76 C71 P4 126.3(2) . .
C72 C71 P4 115.34(19) . .
C73 C72 C71 121.2(3) . .
C72 C73 C74 119.6(3) . .
C75 C74 C73 120.0(3) . .
C74 C75 C76 119.9(3) . .
C71 C76 C75 121.2(3) . .
C82 C81 C86 118.0(2) . .
C82 C81 P4 121.1(2) . .
C86 C81 P4 120.9(2) . .
C83 C82 C81 121.1(3) . .
C84 C83 C82 120.0(3) . .
C83 C84 C85 119.8(3) . .
C84 C85 C86 120.2(3) . .
C85 C86 C81 120.9(3) . .
C92 C91 C96 117.8(3) . .
C92 C91 Ge 122.8(2) . .
C96 C91 Ge 118.9(2) . .
C91 C92 C93 121.4(3) . .
C94 C93 C92 119.9(3) . .
C93 C94 C95 120.0(3) . .
C94 C95 C96 119.7(3) . .
C95 C96 C91 121.2(3) . .
C106 C101 C102 116.5(2) . .
C106 C101 Si 122.8(2) . .
C102 C101 Si 120.1(2) . .
C103 C102 C101 122.0(3) . .
C104 C103 C102 120.1(3) . .
C105 C104 C103 119.6(3) . .
C104 C105 C106 119.7(3) . .
C101 C106 C105 122.0(3) . .
C12S C11S C16S 119.5(4) . .
C13S C12S C11S 120.5(5) . .
C14S C13S C12S 119.2(5) . .
C15S C14S C13S 120.6(4) . .
C16S C15S C14S 120.9(4) . .
C15S C16S C11S 119.2(5) . .
C22S C21S C26S 119.1(6) . .
C21S C22S C23S 120.6(5) . .
C22S C23S C24S 119.5(6) . .
C25S C24S C23S 119.0(6) . .
C26S C25S C24S 120.8(6) . .
C25S C26S C21S 120.9(6) . .
C32S C31S C32S 120.0(7) . 2
C31S C32S C33S 119.9(6) . .
C32S C33S C34S 121.7(7) . .
C33S C34S C33S 116.8(9) 2 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
IrA C1 1.856(3) .
IrA P3 2.3451(7) .
IrA P1 2.3488(6) .
IrA Si 2.3780(7) .
IrA Ge 2.4421(3) .
IrA RhA 2.8061(2) .
RhA C2 1.860(3) .
RhA P4 2.3207(7) .
RhA P2 2.3861(6) .
RhA Si 2.4118(7) .
RhA Ge 2.4437(3) .
Ge C91 1.960(3) .
P1 C21 1.843(3) .
P1 C4 1.844(3) .
P1 C11 1.848(3) .
P2 C41 1.842(3) .
P2 C4 1.846(3) .
P2 C31 1.851(3) .
P3 C61 1.833(3) .
P3 C51 1.837(3) .
P3 C5 1.862(3) .
P4 C81 1.844(3) .
P4 C71 1.845(3) .
P4 C5 1.852(3) .
Si C101 1.898(3) .
Si C3 1.915(3) .
O1 C1 1.154(4) .
O2 C2 1.151(3) .
C11 C16 1.383(4) .
C11 C12 1.393(4) .
C12 C13 1.383(4) .
C13 C14 1.382(4) .
C14 C15 1.379(4) .
C15 C16 1.388(4) .
C21 C26 1.384(4) .
C21 C22 1.392(4) .
C22 C23 1.389(4) .
C23 C24 1.374(5) .
C24 C25 1.372(5) .
C25 C26 1.390(4) .
C31 C36 1.390(4) .
C31 C32 1.393(4) .
C32 C33 1.384(4) .
C33 C34 1.377(4) .
C34 C35 1.372(4) .
C35 C36 1.386(4) .
C41 C46 1.389(4) .
C41 C42 1.394(4) .
C42 C43 1.384(4) .
C43 C44 1.375(5) .
C44 C45 1.377(5) .
C45 C46 1.383(4) .
C51 C52 1.390(4) .
C51 C56 1.392(4) .
C52 C53 1.386(4) .
C53 C54 1.379(5) .
C54 C55 1.375(5) .
C55 C56 1.389(4) .
C61 C66 1.388(4) .
C61 C62 1.396(4) .
C62 C63 1.389(4) .
C63 C64 1.364(5) .
C64 C65 1.387(5) .
C65 C66 1.386(4) .
C71 C76 1.387(4) .
C71 C72 1.395(4) .
C72 C73 1.379(4) .
C73 C74 1.392(4) .
C74 C75 1.376(4) .
C75 C76 1.388(4) .
C81 C82 1.388(4) .
C81 C86 1.388(4) .
C82 C83 1.385(4) .
C83 C84 1.373(4) .
C84 C85 1.378(5) .
C85 C86 1.384(4) .
C91 C92 1.379(4) .
C91 C96 1.390(4) .
C92 C93 1.385(4) .
C93 C94 1.369(5) .
C94 C95 1.379(5) .
C95 C96 1.385(4) .
C101 C106 1.385(4) .
C101 C102 1.394(4) .
C102 C103 1.383(4) .
C103 C104 1.375(5) .
C104 C105 1.372(4) .
C105 C106 1.395(4) .
C11S C12S 1.364(7) .
C11S C16S 1.389(7) .
C12S C13S 1.360(7) .
C13S C14S 1.360(6) .
C14S C15S 1.356(6) .
C15S C16S 1.344(6) .
C21S C22S 1.356(7) .
C21S C26S 1.361(7) .
C22S C23S 1.372(7) .
C23S C24S 1.381(7) .
C24S C25S 1.356(9) .
C25S C26S 1.348(9) .
C31S C32S 1.357(6) .
C31S C32S 1.357(6) 2
C32S C33S 1.367(8) .
C33S C34S 1.379(8) .
C34S C33S 1.379(8) 2
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
C1 IrA RhA C2 -7.1(2) . .
P3 IrA RhA C2 -143.36(16) . .
P1 IrA RhA C2 118.11(16) . .
Si IrA RhA C2 -56.08(16) . .
Ge IrA RhA C2 40.07(16) . .
C1 IrA RhA P4 128.71(18) . .
P3 IrA RhA P4 -7.56(2) . .
P1 IrA RhA P4 -106.09(2) . .
Si IrA RhA P4 79.72(3) . .
Ge IrA RhA P4 175.871(18) . .
C1 IrA RhA P2 -126.55(18) . .
P3 IrA RhA P2 97.19(2) . .
P1 IrA RhA P2 -1.35(2) . .
Si IrA RhA P2 -175.53(3) . .
Ge IrA RhA P2 -79.384(17) . .
C1 IrA RhA Si 48.98(18) . .
P3 IrA RhA Si -87.28(3) . .
P1 IrA RhA Si 174.19(3) . .
Ge IrA RhA Si 96.15(2) . .
C1 IrA RhA Ge -47.16(18) . .
P3 IrA RhA Ge 176.573(19) . .
P1 IrA RhA Ge 78.037(18) . .
Si IrA RhA Ge -96.15(2) . .
C1 IrA Ge C91 31.71(14) . .
P3 IrA Ge C91 -131.85(11) . .
P1 IrA Ge C91 132.13(11) . .
Si IrA Ge C91 -68.57(11) . .
RhA IrA Ge C91 -125.75(10) . .
C1 IrA Ge RhA 157.46(10) . .
P3 IrA Ge RhA -6.10(3) . .
P1 IrA Ge RhA -102.120(17) . .
Si IrA Ge RhA 57.177(18) . .
C2 RhA Ge C91 -34.91(13) . .
P4 RhA Ge C91 116.29(11) . .
P2 RhA Ge C91 -136.81(11) . .
Si RhA Ge C91 68.84(11) . .
IrA RhA Ge C91 125.05(11) . .
C2 RhA Ge IrA -159.96(8) . .
P4 RhA Ge IrA -8.76(4) . .
P2 RhA Ge IrA 98.133(17) . .
Si RhA Ge IrA -56.209(18) . .
C1 IrA P1 C21 -69.24(14) . .
P3 IrA P1 C21 44.06(10) . .
Si IrA P1 C21 145.67(10) . .
Ge IrA P1 C21 -170.35(10) . .
RhA IrA P1 C21 135.99(10) . .
C1 IrA P1 C4 171.51(13) . .
P3 IrA P1 C4 -75.18(9) . .
Si IrA P1 C4 26.42(11) . .
Ge IrA P1 C4 70.41(9) . .
RhA IrA P1 C4 16.74(9) . .
C1 IrA P1 C11 47.99(14) . .
P3 IrA P1 C11 161.30(10) . .
Si IrA P1 C11 -97.10(11) . .
Ge IrA P1 C11 -53.11(10) . .
RhA IrA P1 C11 -106.78(10) . .
C2 RhA P2 C41 -46.47(14) . .
P4 RhA P2 C41 -156.21(10) . .
Si RhA P2 C41 99.15(10) . .
Ge RhA P2 C41 51.36(10) . .
IrA RhA P2 C41 105.54(10) . .
C2 RhA P2 C4 -166.39(13) . .
P4 RhA P2 C4 83.86(9) . .
Si RhA P2 C4 -20.77(10) . .
Ge RhA P2 C4 -68.56(9) . .
IrA RhA P2 C4 -14.38(9) . .
C2 RhA P2 C31 72.33(14) . .
P4 RhA P2 C31 -37.42(10) . .
Si RhA P2 C31 -142.06(10) . .
Ge RhA P2 C31 170.16(10) . .
IrA RhA P2 C31 -135.66(10) . .
C1 IrA P3 C61 100.65(15) . .
P1 IrA P3 C61 -5.01(11) . .
Si IrA P3 C61 -156.21(11) . .
Ge IrA P3 C61 -96.57(11) . .
RhA IrA P3 C61 -101.57(11) . .
C1 IrA P3 C51 -21.52(15) . .
P1 IrA P3 C51 -127.17(10) . .
Si IrA P3 C51 81.62(10) . .
Ge IrA P3 C51 141.26(10) . .
RhA IrA P3 C51 136.26(10) . .
C1 IrA P3 C5 -140.85(14) . .
P1 IrA P3 C5 113.50(10) . .
Si IrA P3 C5 -37.70(10) . .
Ge IrA P3 C5 21.93(11) . .
RhA IrA P3 C5 16.94(9) . .
C2 RhA P4 C81 39.05(13) . .
P2 RhA P4 C81 146.96(10) . .
Si RhA P4 C81 -66.12(10) . .
Ge RhA P4 C81 -111.41(10) . .
IrA RhA P4 C81 -118.63(10) . .
C2 RhA P4 C71 -76.44(13) . .
P2 RhA P4 C71 31.47(10) . .
Si RhA P4 C71 178.40(10) . .
Ge RhA P4 C71 133.10(10) . .
IrA RhA P4 C71 125.88(10) . .
C2 RhA P4 C5 155.93(13) . .
P2 RhA P4 C5 -96.16(9) . .
Si RhA P4 C5 50.77(9) . .
Ge RhA P4 C5 5.47(11) . .
IrA RhA P4 C5 -1.75(9) . .
C1 IrA Si C101 -43.31(14) . .
P3 IrA Si C101 -154.26(10) . .
P1 IrA Si C101 101.56(11) . .
Ge IrA Si C101 55.90(10) . .
RhA IrA Si C101 113.38(11) . .
C1 IrA Si C3 77.55(14) . .
P3 IrA Si C3 -33.40(11) . .
P1 IrA Si C3 -137.58(11) . .
Ge IrA Si C3 176.76(11) . .
RhA IrA Si C3 -125.76(11) . .
C1 IrA Si RhA -156.69(10) . .
P3 IrA Si RhA 92.36(2) . .
P1 IrA Si RhA -11.82(5) . .
Ge IrA Si RhA -57.479(12) . .
C2 RhA Si C101 33.70(14) . .
P4 RhA Si C101 138.57(10) . .
P2 RhA Si C101 -111.43(10) . .
Ge RhA Si C101 -61.68(10) . .
IrA RhA Si C101 -119.38(10) . .
C2 RhA Si C3 -90.38(15) . .
P4 RhA Si C3 14.49(12) . .
P2 RhA Si C3 124.49(12) . .
Ge RhA Si C3 174.23(12) . .
IrA RhA Si C3 116.54(12) . .
C2 RhA Si IrA 153.08(9) . .
P4 RhA Si IrA -102.05(2) . .
P2 RhA Si IrA 7.95(5) . .
Ge RhA Si IrA 57.693(13) . .
P3 IrA C1 O1 -151(6) . .
P1 IrA C1 O1 -47(6) . .
Si IrA C1 O1 116(6) . .
Ge IrA C1 O1 39(6) . .
RhA IrA C1 O1 77(6) . .
P4 RhA C2 O2 -159(8) . .
P2 RhA C2 O2 93(8) . .
Si RhA C2 O2 -68(8) . .
Ge RhA C2 O2 8(8) . .
IrA RhA C2 O2 -24(8) . .
C21 P1 C4 P2 -160.75(14) . .
C11 P1 C4 P2 99.46(16) . .
IrA P1 C4 P2 -31.70(16) . .
C41 P2 C4 P1 -94.14(16) . .
C31 P2 C4 P1 163.97(14) . .
RhA P2 C4 P1 31.07(17) . .
C81 P4 C5 P3 139.11(15) . .
C71 P4 C5 P3 -121.59(15) . .
RhA P4 C5 P3 14.01(17) . .
C61 P3 C5 P4 107.02(15) . .
C51 P3 C5 P4 -150.49(15) . .
IrA P3 C5 P4 -22.18(17) . .
C21 P1 C11 C16 119.4(2) . .
C4 P1 C11 C16 -135.9(2) . .
IrA P1 C11 C16 -9.6(3) . .
C21 P1 C11 C12 -56.5(2) . .
C4 P1 C11 C12 48.2(2) . .
IrA P1 C11 C12 174.43(18) . .
C16 C11 C12 C13 3.2(4) . .
P1 C11 C12 C13 179.3(2) . .
C11 C12 C13 C14 -1.9(4) . .
C12 C13 C14 C15 0.0(5) . .
C13 C14 C15 C16 0.6(5) . .
C12 C11 C16 C15 -2.6(4) . .
P1 C11 C16 C15 -178.6(2) . .
C14 C15 C16 C11 0.7(5) . .
C4 P1 C21 C26 171.3(2) . .
C11 P1 C21 C26 -81.3(2) . .
IrA P1 C21 C26 47.6(2) . .
C4 P1 C21 C22 -13.8(3) . .
C11 P1 C21 C22 93.6(2) . .
IrA P1 C21 C22 -137.4(2) . .
C26 C21 C22 C23 0.2(4) . .
P1 C21 C22 C23 -174.7(2) . .
C21 C22 C23 C24 0.7(4) . .
C22 C23 C24 C25 -0.5(4) . .
C23 C24 C25 C26 -0.5(5) . .
C22 C21 C26 C25 -1.2(4) . .
P1 C21 C26 C25 174.1(2) . .
C24 C25 C26 C21 1.3(5) . .
C41 P2 C31 C36 40.5(2) . .
C4 P2 C31 C36 147.2(2) . .
RhA P2 C31 C36 -85.6(2) . .
C41 P2 C31 C32 -141.8(2) . .
C4 P2 C31 C32 -35.0(2) . .
RhA P2 C31 C32 92.2(2) . .
C36 C31 C32 C33 -1.0(4) . .
P2 C31 C32 C33 -178.8(2) . .
C31 C32 C33 C34 -0.6(5) . .
C32 C33 C34 C35 1.6(5) . .
C33 C34 C35 C36 -1.1(5) . .
C34 C35 C36 C31 -0.5(4) . .
C32 C31 C36 C35 1.6(4) . .
P2 C31 C36 C35 179.5(2) . .
C4 P2 C41 C46 170.5(2) . .
C31 P2 C41 C46 -86.1(2) . .
RhA P2 C41 C46 45.6(2) . .
C4 P2 C41 C42 -9.0(2) . .
C31 P2 C41 C42 94.4(2) . .
RhA P2 C41 C42 -133.9(2) . .
C46 C41 C42 C43 -1.0(4) . .
P2 C41 C42 C43 178.5(2) . .
C41 C42 C43 C44 2.4(4) . .
C42 C43 C44 C45 -1.5(5) . .
C43 C44 C45 C46 -0.8(5) . .
C44 C45 C46 C41 2.2(4) . .
C42 C41 C46 C45 -1.3(4) . .
P2 C41 C46 C45 179.2(2) . .
C61 P3 C51 C52 -131.8(2) . .
C5 P3 C51 C52 127.8(2) . .
IrA P3 C51 C52 -0.6(3) . .
C61 P3 C51 C56 48.1(3) . .
C5 P3 C51 C56 -52.3(3) . .
IrA P3 C51 C56 179.4(2) . .
C56 C51 C52 C53 -1.3(5) . .
P3 C51 C52 C53 178.7(3) . .
C51 C52 C53 C54 -0.4(5) . .
C52 C53 C54 C55 1.4(5) . .
C53 C54 C55 C56 -0.7(5) . .
C54 C55 C56 C51 -1.0(5) . .
C52 C51 C56 C55 2.0(4) . .
P3 C51 C56 C55 -178.0(2) . .
C51 P3 C61 C66 -147.4(2) . .
C5 P3 C61 C66 -45.7(2) . .
IrA P3 C61 C66 82.4(2) . .
C51 P3 C61 C62 33.7(2) . .
C5 P3 C61 C62 135.5(2) . .
IrA P3 C61 C62 -96.5(2) . .
C66 C61 C62 C63 1.6(4) . .
P3 C61 C62 C63 -179.6(2) . .
C61 C62 C63 C64 -1.0(4) . .
C62 C63 C64 C65 -0.9(5) . .
C63 C64 C65 C66 2.3(5) . .
C64 C65 C66 C61 -1.8(4) . .
C62 C61 C66 C65 -0.1(4) . .
P3 C61 C66 C65 -179.0(2) . .
C81 P4 C71 C76 96.8(2) . .
C5 P4 C71 C76 -6.5(3) . .
RhA P4 C71 C76 -138.0(2) . .
C81 P4 C71 C72 -76.7(2) . .
C5 P4 C71 C72 -179.95(19) . .
RhA P4 C71 C72 48.6(2) . .
C76 C71 C72 C73 -2.3(4) . .
P4 C71 C72 C73 171.8(2) . .
C71 C72 C73 C74 1.0(4) . .
C72 C73 C74 C75 1.1(4) . .
C73 C74 C75 C76 -1.9(4) . .
C72 C71 C76 C75 1.4(4) . .
P4 C71 C76 C75 -171.9(2) . .
C74 C75 C76 C71 0.7(4) . .
C71 P4 C81 C82 123.1(2) . .
C5 P4 C81 C82 -130.1(2) . .
RhA P4 C81 C82 -6.2(3) . .
C71 P4 C81 C86 -56.7(3) . .
C5 P4 C81 C86 50.0(3) . .
RhA P4 C81 C86 173.9(2) . .
C86 C81 C82 C83 -0.3(4) . .
P4 C81 C82 C83 179.9(2) . .
C81 C82 C83 C84 -0.7(5) . .
C82 C83 C84 C85 0.8(5) . .
C83 C84 C85 C86 0.0(5) . .
C84 C85 C86 C81 -1.0(5) . .
C82 C81 C86 C85 1.2(5) . .
P4 C81 C86 C85 -179.0(3) . .
IrA Ge C91 C92 -33.1(3) . .
RhA Ge C91 C92 -129.3(2) . .
IrA Ge C91 C96 155.4(2) . .
RhA Ge C91 C96 59.1(3) . .
C96 C91 C92 C93 -0.1(4) . .
Ge C91 C92 C93 -171.7(2) . .
C91 C92 C93 C94 -0.6(5) . .
C92 C93 C94 C95 0.2(6) . .
C93 C94 C95 C96 0.8(6) . .
C94 C95 C96 C91 -1.6(6) . .
C92 C91 C96 C95 1.2(5) . .
Ge C91 C96 C95 173.1(3) . .
C3 Si C101 C106 102.6(3) . .
IrA Si C101 C106 -124.4(2) . .
RhA Si C101 C106 -37.6(3) . .
C3 Si C101 C102 -68.4(2) . .
IrA Si C101 C102 64.6(2) . .
RhA Si C101 C102 151.4(2) . .
C106 C101 C102 C103 -0.1(4) . .
Si C101 C102 C103 171.5(2) . .
C101 C102 C103 C104 0.3(5) . .
C102 C103 C104 C105 -0.8(5) . .
C103 C104 C105 C106 0.9(5) . .
C102 C101 C106 C105 0.2(5) . .
Si C101 C106 C105 -171.1(3) . .
C104 C105 C106 C101 -0.6(5) . .
C16S C11S C12S C13S 1.7(8) . .
C11S C12S C13S C14S -2.6(7) . .
C12S C13S C14S C15S 2.6(7) . .
C13S C14S C15S C16S -1.7(7) . .
C14S C15S C16S C11S 0.8(7) . .
C12S C11S C16S C15S -0.7(7) . .
C26S C21S C22S C23S 0.0(7) . .
C21S C22S C23S C24S 1.2(7) . .
C22S C23S C24S C25S -0.8(7) . .
C23S C24S C25S C26S -0.9(8) . .
C24S C25S C26S C21S 2.2(9) . .
C22S C21S C26S C25S -1.7(8) . .
C32S C31S C32S C33S 0.4(4) 2 .
C31S C32S C33S C34S -0.8(8) . .
C32S C33S C34S C33S 0.4(4) . 2
