#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:42:09 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179390 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/87/4328742.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_4328742
loop_
_publ_author_name
'Md Hosnay Mobarok'
'Robert McDonald'
'Michael J. Ferguson'
'Martin Cowie'
_publ_contact_author_address
; Department of Chemistry
  University of Alberta
  Edmonton, Alberta T6G 2G2
  Canada
;
_publ_contact_author_email       martin.cowie@ualberta.ca
_publ_contact_author_fax         1(780)4928231
_publ_contact_author_name        'Martin Cowie'
_publ_contact_author_phone       1(780)4925581
_publ_section_title
;
 Germyl- and Germylene-Bridged Complexes of Rh/Ir and Subsequent Chemistry
 of a Bridging Germylene Group
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4020
_journal_page_last               4034
_journal_paper_doi               10.1021/ic2021269
_journal_volume                  51
_journal_year                    2012
_chemical_formula_moiety         'C77 H66 Ge2 Ir O3 P4 Rh, 1.5(C6 H5 F)'
_chemical_formula_sum            'C86 H73.5 F1.5 Ge2 Ir O3 P4 Rh'
_chemical_formula_weight         1747.62
_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                97.4832(4)
_cell_angle_beta                 104.7670(4)
_cell_angle_gamma                113.7850(4)
_cell_formula_units_Z            2
_cell_length_a                   13.4862(5)
_cell_length_b                   15.7589(6)
_cell_length_c                   20.9542(8)
_cell_measurement_reflns_used    9972
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.97
_cell_measurement_theta_min      2.21
_cell_volume                     3801.4(2)
_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 0.993
_diffrn_measured_fraction_theta_max 0.993
_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  0.0095
_diffrn_reflns_av_sigmaI/netI    0.0137
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            34726
_diffrn_reflns_theta_full        27.61
_diffrn_reflns_theta_max         27.61
_diffrn_reflns_theta_min         1.04
_exptl_absorpt_coefficient_mu    2.878
_exptl_absorpt_correction_T_max  0.4429
_exptl_absorpt_correction_T_min  0.2348
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.527
_exptl_crystal_description       prism
_exptl_crystal_F_000             1746
_exptl_crystal_size_max          0.71
_exptl_crystal_size_mid          0.56
_exptl_crystal_size_min          0.34
_refine_diff_density_max         1.317
_refine_diff_density_min         -1.074
_refine_diff_density_rms         0.064
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     850
_refine_ls_number_reflns         17540
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.0200
_refine_ls_R_factor_gt           0.0187
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0298P)²+2.5341P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0526
_refine_ls_wR_factor_ref         0.0537
_reflns_number_gt                16703
_reflns_number_total             17540
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic2021269_si_003_5.cif
_cod_data_source_block           10
_cod_database_code               4328742
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
Ir Ir -0.005257(6) 0.183699(5) 0.194496(3) 0.02193(2) Uani 1 1 d . . .
H1 H -0.046(2) 0.241(2) 0.2386(15) 0.050(8) Uiso 1 1 d . . .
Rh Rh 0.086403(12) 0.142891(10) 0.318834(7) 0.02336(3) Uani 1 1 d . . .
Ge1 Ge 0.182173(17) 0.286873(14) 0.278683(10) 0.02552(4) Uani 1 1 d . . .
Ge2 Ge 0.204864(19) 0.152001(16) 0.433125(10) 0.03001(5) Uani 1 1 d . . .
H2GE H 0.1290 0.0789 0.4574 0.036 Uiso 1 1 calc R . .
P1 P -0.17873(4) 0.04668(3) 0.16729(2) 0.02318(9) Uani 1 1 d . . .
P2 P -0.07296(4) -0.00923(4) 0.29218(2) 0.02517(9) Uani 1 1 d . . .
P3 P -0.03068(4) 0.27784(3) 0.12457(2) 0.02405(9) Uani 1 1 d . . .
P4 P 0.00300(5) 0.48493(4) 0.11954(3) 0.02975(10) Uani 1 1 d . . .
O1 O 0.08919(16) 0.08000(13) 0.11345(9) 0.0455(4) Uani 1 1 d . . .
O2 O 0.21722(16) 0.05694(13) 0.25720(9) 0.0451(4) Uani 1 1 d . . .
O3 O 0.00545(17) 0.25793(13) 0.40053(9) 0.0478(4) Uani 1 1 d . . .
C1 C 0.05416(17) 0.11870(14) 0.14410(10) 0.0290(4) Uani 1 1 d . . .
C2 C 0.16943(18) 0.09031(15) 0.28045(11) 0.0315(4) Uani 1 1 d . . .
C3 C 0.03614(19) 0.21557(15) 0.36884(11) 0.0324(4) Uani 1 1 d . . .
C4 C -0.15452(17) -0.04937(14) 0.20016(10) 0.0275(4) Uani 1 1 d . . .
H4A H -0.2299 -0.1051 0.1913 0.033 Uiso 1 1 calc R . .
H4B H -0.1120 -0.0707 0.1752 0.033 Uiso 1 1 calc R . .
C5 C 0.04606(18) 0.40691(14) 0.16736(10) 0.0297(4) Uani 1 1 d . . .
H5A H 0.1295 0.4287 0.1768 0.036 Uiso 1 1 calc R . .
H5B H 0.0343 0.4164 0.2120 0.036 Uiso 1 1 calc R . .
C11 C -0.25139(16) -0.01173(14) 0.07560(10) 0.0270(4) Uani 1 1 d . . .
C12 C -0.32655(18) 0.01646(15) 0.03604(10) 0.0315(4) Uani 1 1 d . . .
H12 H -0.3494 0.0587 0.0577 0.038 Uiso 1 1 calc R . .
C13 C -0.3684(2) -0.01662(17) -0.03487(11) 0.0391(5) Uani 1 1 d . . .
H13 H -0.4192 0.0034 -0.0612 0.047 Uiso 1 1 calc R . .
C14 C -0.3366(2) -0.07825(18) -0.06724(11) 0.0426(5) Uani 1 1 d . . .
H14 H -0.3648 -0.1000 -0.1157 0.051 Uiso 1 1 calc R . .
C15 C -0.2636(2) -0.10823(19) -0.02878(12) 0.0424(5) Uani 1 1 d . . .
H15 H -0.2426 -0.1516 -0.0508 0.051 Uiso 1 1 calc R . .
C16 C -0.22116(19) -0.07491(17) 0.04211(11) 0.0354(4) Uani 1 1 d . . .
H16 H -0.1707 -0.0955 0.0682 0.043 Uiso 1 1 calc R . .
C21 C -0.29375(17) 0.04847(15) 0.19742(10) 0.0274(4) Uani 1 1 d . . .
C22 C -0.26818(19) 0.12092(16) 0.25402(11) 0.0337(4) Uani 1 1 d . . .
H22 H -0.1916 0.1707 0.2755 0.040 Uiso 1 1 calc R . .
C23 C -0.3546(2) 0.12043(19) 0.27916(13) 0.0439(5) Uani 1 1 d . . .
H23 H -0.3366 0.1694 0.3180 0.053 Uiso 1 1 calc R . .
C24 C -0.4662(2) 0.0490(2) 0.24771(14) 0.0488(6) Uani 1 1 d . . .
H24 H -0.5252 0.0494 0.2645 0.059 Uiso 1 1 calc R . .
C25 C -0.49217(19) -0.0231(2) 0.19186(12) 0.0446(6) Uani 1 1 d . . .
H25 H -0.5691 -0.0722 0.1703 0.054 Uiso 1 1 calc R . .
C26 C -0.40618(18) -0.02415(17) 0.16705(11) 0.0347(4) Uani 1 1 d . . .
H26 H -0.4244 -0.0747 0.1292 0.042 Uiso 1 1 calc R . .
C31 C -0.18132(18) -0.02908(16) 0.33377(11) 0.0310(4) Uani 1 1 d . . .
C32 C -0.1501(2) 0.02675(18) 0.39966(12) 0.0393(5) Uani 1 1 d . . .
H32 H -0.0746 0.0782 0.4212 0.047 Uiso 1 1 calc R . .
C33 C -0.2297(3) 0.0070(2) 0.43403(14) 0.0487(6) Uani 1 1 d . . .
H33 H -0.2080 0.0449 0.4790 0.058 Uiso 1 1 calc R . .
C34 C -0.3394(2) -0.0671(2) 0.40302(15) 0.0522(7) Uani 1 1 d . . .
H34 H -0.3932 -0.0803 0.4267 0.063 Uiso 1 1 calc R . .
C35 C -0.3714(2) -0.1219(2) 0.33803(15) 0.0535(7) Uani 1 1 d . . .
H35 H -0.4475 -0.1725 0.3165 0.064 Uiso 1 1 calc R . .
C36 C -0.2926(2) -0.10369(19) 0.30354(13) 0.0426(5) Uani 1 1 d . . .
H36 H -0.3150 -0.1427 0.2588 0.051 Uiso 1 1 calc R . .
C41 C -0.03570(18) -0.10659(14) 0.30717(11) 0.0309(4) Uani 1 1 d . . .
C42 C -0.0309(2) -0.13133(18) 0.36878(13) 0.0414(5) Uani 1 1 d . . .
H42 H -0.0529 -0.1013 0.4011 0.050 Uiso 1 1 calc R . .
C43 C 0.0058(3) -0.1996(2) 0.38360(16) 0.0522(6) Uani 1 1 d . . .
H43 H 0.0088 -0.2156 0.4260 0.063 Uiso 1 1 calc R . .
C44 C 0.0375(3) -0.2438(2) 0.33732(17) 0.0553(7) Uani 1 1 d . . .
H44 H 0.0616 -0.2910 0.3474 0.066 Uiso 1 1 calc R . .
C45 C 0.0343(3) -0.2196(2) 0.27659(16) 0.0572(7) Uani 1 1 d . . .
H45 H 0.0561 -0.2501 0.2445 0.069 Uiso 1 1 calc R . .
C46 C -0.0008(2) -0.15060(19) 0.26169(13) 0.0447(5) Uani 1 1 d . . .
H46 H -0.0008 -0.1333 0.2199 0.054 Uiso 1 1 calc R . .
C51 C 0.01695(17) 0.26620(14) 0.05139(10) 0.0281(4) Uani 1 1 d . . .
C52 C 0.1091(2) 0.34001(17) 0.04310(12) 0.0387(5) Uani 1 1 d . . .
H52 H 0.1484 0.4009 0.0757 0.046 Uiso 1 1 calc R . .
C53 C 0.1445(3) 0.3257(2) -0.01253(15) 0.0509(6) Uani 1 1 d . . .
H53 H 0.2089 0.3763 -0.0171 0.061 Uiso 1 1 calc R . .
C54 C 0.0865(3) 0.2387(2) -0.06087(14) 0.0512(7) Uani 1 1 d . . .
H54 H 0.1097 0.2298 -0.0994 0.061 Uiso 1 1 calc R . .
C55 C -0.0055(2) 0.16414(19) -0.05357(12) 0.0438(5) Uani 1 1 d . . .
H55 H -0.0454 0.1040 -0.0870 0.053 Uiso 1 1 calc R . .
C56 C -0.0394(2) 0.17712(16) 0.00235(11) 0.0347(4) Uani 1 1 d . . .
H56 H -0.1016 0.1252 0.0076 0.042 Uiso 1 1 calc R . .
C61 C -0.17816(17) 0.25980(13) 0.08607(10) 0.0265(4) Uani 1 1 d . . .
C62 C -0.24668(18) 0.24939(14) 0.12735(11) 0.0306(4) Uani 1 1 d . . .
H62 H -0.2155 0.2535 0.1744 0.037 Uiso 1 1 calc R . .
C63 C -0.35993(19) 0.23305(16) 0.10011(12) 0.0368(5) Uani 1 1 d . . .
H63 H -0.4057 0.2265 0.1287 0.044 Uiso 1 1 calc R . .
C64 C -0.40655(19) 0.22627(17) 0.03158(13) 0.0397(5) Uani 1 1 d . . .
H64 H -0.4847 0.2133 0.0128 0.048 Uiso 1 1 calc R . .
C65 C -0.3389(2) 0.23838(17) -0.00938(12) 0.0389(5) Uani 1 1 d . . .
H65 H -0.3703 0.2350 -0.0562 0.047 Uiso 1 1 calc R . .
C66 C -0.22500(18) 0.25547(15) 0.01759(11) 0.0324(4) Uani 1 1 d . . .
H66 H -0.1789 0.2642 -0.0109 0.039 Uiso 1 1 calc R . .
C71 C -0.10638(19) 0.49200(15) 0.15466(13) 0.0363(5) Uani 1 1 d . . .
C72 C -0.0931(2) 0.5073(2) 0.22344(15) 0.0529(6) Uani 1 1 d . . .
H72 H -0.0248 0.5132 0.2553 0.064 Uiso 1 1 calc R . .
C73 C -0.1780(3) 0.5141(2) 0.2469(2) 0.0703(9) Uani 1 1 d . . .
H73 H -0.1681 0.5237 0.2942 0.084 Uiso 1 1 calc R . .
C74 C -0.2764(3) 0.5067(2) 0.2010(2) 0.0739(10) Uani 1 1 d . . .
H74 H -0.3341 0.5123 0.2168 0.089 Uiso 1 1 calc R . .
C75 C -0.2910(3) 0.4914(2) 0.1331(2) 0.0710(10) Uani 1 1 d . . .
H75 H -0.3592 0.4861 0.1016 0.085 Uiso 1 1 calc R . .
C76 C -0.2066(2) 0.48339(19) 0.10914(17) 0.0509(6) Uani 1 1 d . . .
H76 H -0.2181 0.4720 0.0616 0.061 Uiso 1 1 calc R . .
C81 C 0.12243(18) 0.60421(14) 0.16745(11) 0.0308(4) Uani 1 1 d . . .
C82 C 0.1976(2) 0.62742(16) 0.23370(12) 0.0387(5) Uani 1 1 d . . .
H82 H 0.1918 0.5784 0.2567 0.046 Uiso 1 1 calc R . .
C83 C 0.2808(2) 0.72126(18) 0.26646(13) 0.0461(6) Uani 1 1 d . . .
H83 H 0.3317 0.7360 0.3116 0.055 Uiso 1 1 calc R . .
C84 C 0.2902(2) 0.79340(18) 0.23381(14) 0.0521(7) Uani 1 1 d . . .
H84 H 0.3472 0.8577 0.2564 0.063 Uiso 1 1 calc R . .
C85 C 0.2165(2) 0.77154(18) 0.16829(14) 0.0515(6) Uani 1 1 d . . .
H85 H 0.2225 0.8210 0.1457 0.062 Uiso 1 1 calc R . .
C86 C 0.1335(2) 0.67763(17) 0.13504(12) 0.0390(5) Uani 1 1 d . . .
H86 H 0.0837 0.6633 0.0897 0.047 Uiso 1 1 calc R . .
C91 C 0.22497(19) 0.41746(15) 0.33058(10) 0.0320(4) Uani 1 1 d . . .
C92 C 0.1444(2) 0.44029(17) 0.34808(11) 0.0395(5) Uani 1 1 d . . .
H92 H 0.0668 0.3923 0.3347 0.047 Uiso 1 1 calc R . .
C93 C 0.1762(3) 0.5329(2) 0.38504(13) 0.0516(6) Uani 1 1 d . . .
H93 H 0.1207 0.5477 0.3972 0.062 Uiso 1 1 calc R . .
C94 C 0.2894(3) 0.60330(19) 0.40404(14) 0.0582(8) Uani 1 1 d . . .
H94 H 0.3112 0.6665 0.4290 0.070 Uiso 1 1 calc R . .
C95 C 0.3699(3) 0.58190(18) 0.38683(14) 0.0539(7) Uani 1 1 d . . .
H95 H 0.4473 0.6303 0.4001 0.065 Uiso 1 1 calc R . .
C96 C 0.3384(2) 0.48965(16) 0.35011(12) 0.0414(5) Uani 1 1 d . . .
H96 H 0.3945 0.4754 0.3381 0.050 Uiso 1 1 calc R . .
C101 C 0.32386(18) 0.29844(15) 0.26185(12) 0.0338(4) Uani 1 1 d . . .
C102 C 0.3418(2) 0.3121(2) 0.20157(14) 0.0497(6) Uani 1 1 d . . .
H102 H 0.2852 0.3176 0.1669 0.060 Uiso 1 1 calc R . .
C103 C 0.4424(3) 0.3182(2) 0.19035(17) 0.0660(9) Uani 1 1 d . . .
H103 H 0.4534 0.3277 0.1483 0.079 Uiso 1 1 calc R . .
C104 C 0.5246(2) 0.3105(2) 0.23960(18) 0.0617(8) Uani 1 1 d . . .
H104 H 0.5933 0.3159 0.2322 0.074 Uiso 1 1 calc R . .
C105 C 0.5078(2) 0.2952(2) 0.29919(19) 0.0599(8) Uani 1 1 d . . .
H105 H 0.5639 0.2882 0.3331 0.072 Uiso 1 1 calc R . .
C106 C 0.4084(2) 0.28957(19) 0.31044(15) 0.0470(6) Uani 1 1 d . . .
H106 H 0.3980 0.2794 0.3525 0.056 Uiso 1 1 calc R . .
C111 C 0.26809(18) 0.27364(17) 0.50286(11) 0.0349(4) Uani 1 1 d . . .
C112 C 0.3201(2) 0.36307(19) 0.49075(13) 0.0477(6) Uani 1 1 d . . .
H112 H 0.3286 0.3666 0.4474 0.057 Uiso 1 1 calc R . .
C113 C 0.3601(3) 0.4477(2) 0.54087(17) 0.0617(8) Uani 1 1 d . . .
H113 H 0.3962 0.5082 0.5318 0.074 Uiso 1 1 calc R . .
C114 C 0.3473(3) 0.4434(3) 0.60330(17) 0.0686(10) Uani 1 1 d . . .
H114 H 0.3735 0.5010 0.6374 0.082 Uiso 1 1 calc R . .
C115 C 0.2964(3) 0.3557(3) 0.61644(17) 0.0742(10) Uani 1 1 d . . .
H115 H 0.2876 0.3528 0.6598 0.089 Uiso 1 1 calc R . .
C116 C 0.2579(2) 0.2719(2) 0.56695(13) 0.0535(7) Uani 1 1 d . . .
H116 H 0.2237 0.2118 0.5770 0.064 Uiso 1 1 calc R . .
C121 C 0.3327(2) 0.12149(17) 0.43380(10) 0.0367(5) Uani 1 1 d . . .
C122 C 0.4456(2) 0.1921(2) 0.45494(13) 0.0484(6) Uani 1 1 d . . .
H122 H 0.4630 0.2571 0.4723 0.058 Uiso 1 1 calc R . .
C123 C 0.5346(3) 0.1697(3) 0.45121(16) 0.0662(9) Uani 1 1 d . . .
H123 H 0.6114 0.2192 0.4651 0.079 Uiso 1 1 calc R . .
C124 C 0.5103(3) 0.0760(3) 0.42742(16) 0.0733(10) Uani 1 1 d . . .
H124 H 0.5707 0.0605 0.4250 0.088 Uiso 1 1 calc R . .
C125 C 0.3992(3) 0.0041(3) 0.40695(15) 0.0638(9) Uani 1 1 d . . .
H125 H 0.3832 -0.0608 0.3911 0.077 Uiso 1 1 calc R . .
C126 C 0.3098(3) 0.0262(2) 0.40934(12) 0.0469(6) Uani 1 1 d . . .
H126 H 0.2330 -0.0237 0.3943 0.056 Uiso 1 1 calc R . .
F10S F 0.6623(4) 0.6932(4) 0.0916(3) 0.1422(10) Uiso 0.70 1 d PD A 1
C11S C 0.5814(4) 0.6594(4) 0.1199(2) 0.1422(10) Uiso 0.70 1 d PGD A 1
C12S C 0.6114(4) 0.6651(4) 0.1894(2) 0.1422(10) Uiso 0.70 1 d PGD A 1
H12S H 0.6901 0.6909 0.2168 0.171 Uiso 0.70 1 calc PR A 1
C13S C 0.5262(5) 0.6332(5) 0.2189(2) 0.1422(10) Uiso 0.70 1 d PG A 1
H13S H 0.5467 0.6371 0.2665 0.171 Uiso 0.70 1 calc PR A 1
C14S C 0.4110(5) 0.5955(4) 0.1789(3) 0.1422(10) Uiso 0.70 1 d PG A 1
H14S H 0.3528 0.5736 0.1990 0.171 Uiso 0.70 1 calc PR A 1
C15S C 0.3810(4) 0.5898(4) 0.1093(3) 0.1422(10) Uiso 0.70 1 d PG A 1
H15S H 0.3023 0.5640 0.0819 0.171 Uiso 0.70 1 calc PR A 1
C16S C 0.4662(4) 0.6217(4) 0.0798(2) 0.1422(10) Uiso 0.70 1 d PGD A 1
H16S H 0.4457 0.6178 0.0323 0.171 Uiso 0.70 1 calc PR A 1
F20S F 0.5739(10) 0.6410(8) 0.0258(6) 0.1422(10) Uiso 0.30 1 d PD B 2
C21S C 0.5118(12) 0.6181(6) 0.0683(6) 0.1422(10) Uiso 0.30 1 d PGD B 2
C22S C 0.5278(12) 0.6900(7) 0.1217(6) 0.1422(10) Uiso 0.30 1 d PGD B 2
H22S H 0.5687 0.7556 0.1228 0.171 Uiso 0.30 1 calc PR B 2
C23S C 0.4839(13) 0.6657(10) 0.1736(6) 0.1422(10) Uiso 0.30 1 d PG B 2
H23S H 0.4948 0.7148 0.2102 0.171 Uiso 0.30 1 calc PR B 2
C24S C 0.4241(12) 0.5697(11) 0.1721(6) 0.1422(10) Uiso 0.30 1 d PG B 2
H24S H 0.3941 0.5531 0.2075 0.171 Uiso 0.30 1 calc PR B 2
C25S C 0.4081(12) 0.4978(8) 0.1186(7) 0.1422(10) Uiso 0.30 1 d PG B 2
H25S H 0.3672 0.4322 0.1175 0.171 Uiso 0.30 1 calc PR B 2
C26S C 0.4520(11) 0.5221(6) 0.0667(6) 0.1422(10) Uiso 0.30 1 d PGD B 2
H26S H 0.4411 0.4730 0.0302 0.171 Uiso 0.30 1 calc PR B 2
F30S F 0.1436(8) 0.6924(4) 0.5429(8) 0.175(4) Uiso 0.25 1 d PD C -1
F31S F 0.2132(8) 0.5718(7) 0.5933(7) 0.175(4) Uiso 0.25 1 d PD C -2
C31S C 0.0661(5) 0.5973(4) 0.5250(3) 0.1162(18) Uani 1 1 d D . .
H31S H 0.1137 0.6647 0.5420 0.139 Uiso 0.75 1 calc PR C -2
C32S C 0.1086(5) 0.5334(4) 0.5434(2) 0.119(2) Uani 1 1 d D C .
H32S H 0.1845 0.5575 0.5747 0.143 Uiso 0.75 1 calc PR D -1
C33S C 0.0427(5) 0.4377(4) 0.5170(3) 0.1137(18) Uani 1 1 d D . .
H33S H 0.0736 0.3949 0.5282 0.136 Uiso 1 1 calc R C .
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'
F F 0.0171 0.0103 '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
C1 Ir P3 98.67(6) .
C1 Ir P1 92.81(6) .
P3 Ir P1 108.653(17) .
C1 Ir Ge1 92.56(6) .
P3 Ir Ge1 103.263(13) .
P1 Ir Ge1 146.393(13) .
C1 Ir Rh 93.41(6) .
P3 Ir Rh 156.349(13) .
P1 Ir Rh 90.870(12) .
C1 Ir H1 176.3(11) .
P3 Ir H1 82.1(11) .
P1 Ir H1 90.3(11) .
Ge1 Ir H1 83.8(11) .
Rh Ir H1 84.7(11) .
Ge1 Ir Rh 55.696(6) .
C3 Rh C2 167.62(9) .
C3 Rh P2 98.40(7) .
C2 Rh P2 92.54(7) .
C3 Rh Ge2 83.79(6) .
C2 Rh Ge2 88.41(6) .
P2 Rh Ge2 101.392(14) .
C3 Rh Ge1 87.67(7) .
C2 Rh Ge1 86.35(6) .
P2 Rh Ge1 146.557(14) .
Ge2 Rh Ge1 111.975(9) .
C3 Rh Ir 92.43(6) .
C2 Rh Ir 92.62(6) .
P2 Rh Ir 93.719(13) .
Ge2 Rh Ir 164.796(8) .
Ge1 Rh Ir 53.023(6) .
C101 Ge1 C91 104.03(9) .
C101 Ge1 Ir 121.26(6) .
C91 Ge1 Ir 122.92(6) .
C101 Ge1 Rh 113.82(7) .
C91 Ge1 Rh 121.52(6) .
Ir Ge1 Rh 71.281(7) .
C111 Ge2 C121 107.43(9) .
C111 Ge2 Rh 115.86(6) .
C121 Ge2 Rh 114.64(6) .
C21 P1 C11 103.90(9) .
C21 P1 C4 102.36(9) .
C11 P1 C4 101.77(9) .
C21 P1 Ir 121.51(7) .
C11 P1 Ir 114.42(6) .
C4 P1 Ir 110.54(6) .
C31 P2 C4 104.98(10) .
C31 P2 C41 100.80(9) .
C4 P2 C41 103.12(9) .
C31 P2 Rh 121.27(7) .
C4 P2 Rh 110.07(6) .
C41 P2 Rh 114.69(7) .
C51 P3 C61 103.58(9) .
C51 P3 C5 104.70(9) .
C61 P3 C5 101.95(9) .
C51 P3 Ir 114.36(6) .
C61 P3 Ir 116.81(6) .
C5 P3 Ir 113.86(7) .
C81 P4 C71 98.51(10) .
C81 P4 C5 101.07(9) .
C71 P4 C5 100.82(10) .
O1 C1 Ir 179.4(2) .
O2 C2 Rh 178.5(2) .
O3 C3 Rh 177.9(2) .
P2 C4 P1 112.27(10) .
P3 C5 P4 115.79(11) .
C16 C11 C12 118.14(19) .
C16 C11 P1 121.01(16) .
C12 C11 P1 120.23(15) .
C13 C12 C11 120.6(2) .
C14 C13 C12 120.5(2) .
C13 C14 C15 119.7(2) .
C14 C15 C16 120.0(2) .
C15 C16 C11 121.1(2) .
C26 C21 C22 118.99(19) .
C26 C21 P1 121.02(16) .
C22 C21 P1 119.90(15) .
C23 C22 C21 120.3(2) .
C24 C23 C22 120.1(2) .
C23 C24 C25 120.0(2) .
C24 C25 C26 120.3(2) .
C21 C26 C25 120.3(2) .
C36 C31 C32 118.6(2) .
C36 C31 P2 121.56(17) .
C32 C31 P2 119.63(17) .
C31 C32 C33 120.1(2) .
C34 C33 C32 120.3(2) .
C35 C34 C33 120.1(2) .
C34 C35 C36 120.1(3) .
C31 C36 C35 120.7(2) .
C46 C41 C42 118.0(2) .
C46 C41 P2 122.09(17) .
C42 C41 P2 119.55(17) .
C41 C42 C43 120.7(2) .
C44 C43 C42 120.4(3) .
C45 C44 C43 119.6(2) .
C44 C45 C46 120.4(3) .
C45 C46 C41 120.8(2) .
C52 C51 C56 118.3(2) .
C52 C51 P3 123.19(16) .
C56 C51 P3 118.45(16) .
C51 C52 C53 120.7(2) .
C54 C53 C52 120.2(2) .
C53 C54 C55 120.1(2) .
C54 C55 C56 120.0(2) .
C55 C56 C51 120.7(2) .
C66 C61 C62 118.73(19) .
C66 C61 P3 122.97(16) .
C62 C61 P3 118.30(15) .
C63 C62 C61 120.4(2) .
C64 C63 C62 120.3(2) .
C65 C64 C63 119.7(2) .
C64 C65 C66 120.4(2) .
C65 C66 C61 120.4(2) .
C72 C71 C76 118.5(2) .
C72 C71 P4 123.97(19) .
C76 C71 P4 117.5(2) .
C71 C72 C73 121.1(3) .
C74 C73 C72 119.6(3) .
C75 C74 C73 120.0(3) .
C74 C75 C76 120.6(3) .
C71 C76 C75 120.1(3) .
C86 C81 C82 118.2(2) .
C86 C81 P4 116.06(17) .
C82 C81 P4 125.63(16) .
C83 C82 C81 120.7(2) .
C84 C83 C82 120.3(2) .
C85 C84 C83 119.6(2) .
C84 C85 C86 120.4(2) .
C85 C86 C81 120.7(2) .
C92 C91 C96 118.6(2) .
C92 C91 Ge1 121.43(17) .
C96 C91 Ge1 119.98(17) .
C91 C92 C93 120.7(2) .
C94 C93 C92 119.7(3) .
C95 C94 C93 120.3(2) .
C94 C95 C96 120.1(3) .
C95 C96 C91 120.6(3) .
C102 C101 C106 117.3(2) .
C102 C101 Ge1 122.13(18) .
C106 C101 Ge1 120.58(18) .
C101 C102 C103 121.0(3) .
C104 C103 C102 120.3(3) .
C105 C104 C103 119.8(3) .
C104 C105 C106 119.9(3) .
C101 C106 C105 121.7(3) .
C116 C111 C112 117.4(2) .
C116 C111 Ge2 119.4(2) .
C112 C111 Ge2 123.15(17) .
C111 C112 C113 121.3(3) .
C114 C113 C112 119.8(3) .
C113 C114 C115 119.8(3) .
C114 C115 C116 120.3(3) .
C115 C116 C111 121.3(3) .
C122 C121 C126 118.1(2) .
C122 C121 Ge2 122.06(18) .
C126 C121 Ge2 119.78(19) .
C121 C122 C123 121.3(3) .
C124 C123 C122 119.6(3) .
C123 C124 C125 120.4(3) .
C124 C125 C126 120.3(3) .
C125 C126 C121 120.3(3) .
F10S C11S C12S 120.5(3) .
F10S C11S C16S 119.4(3) .
C12S C11S C16S 120.0 .
C11S C12S C13S 120.0 .
C12S C13S C14S 120.0 .
C13S C14S C15S 120.0 .
C16S C15S C14S 120.0 .
C15S C16S C11S 120.0 .
F20S C21S C22S 119.7(3) .
F20S C21S C26S 118.9(3) .
C22S C21S C26S 120.0 .
C23S C22S C21S 120.0 .
C24S C23S C22S 120.0 .
C23S C24S C25S 120.0 .
C26S C25S C24S 120.0 .
C25S C26S C21S 120.0 .
C33S C31S F30S 123.0(6) 2_566
C33S C31S C32S 119.1(4) 2_566
F30S C31S C32S 117.2(5) .
C33S C32S F31S 122.5(6) .
C33S C32S C31S 120.5(4) .
F31S C32S C31S 116.7(5) .
C31S C33S C32S 120.3(5) 2_566
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ir C1 1.902(2) .
Ir P3 2.2774(5) .
Ir P1 2.3207(5) .
Ir Ge1 2.4103(2) .
Ir Rh 2.85754(18) .
Ir H1 1.55(3) .
Rh C3 1.883(2) .
Rh C2 1.903(2) .
Rh P2 2.3582(5) .
Rh Ge2 2.4665(3) .
Rh Ge1 2.4923(3) .
Ge1 C101 1.972(2) .
Ge1 C91 1.972(2) .
Ge2 C111 1.963(2) .
Ge2 C121 1.965(2) .
P1 C21 1.826(2) .
P1 C11 1.831(2) .
P1 C4 1.851(2) .
P2 C31 1.829(2) .
P2 C4 1.835(2) .
P2 C41 1.836(2) .
P3 C51 1.822(2) .
P3 C61 1.831(2) .
P3 C5 1.835(2) .
P4 C81 1.838(2) .
P4 C71 1.842(2) .
P4 C5 1.858(2) .
O1 C1 1.137(3) .
O2 C2 1.138(3) .
O3 C3 1.143(3) .
C11 C16 1.393(3) .
C11 C12 1.394(3) .
C12 C13 1.390(3) .
C13 C14 1.378(4) .
C14 C15 1.383(4) .
C15 C16 1.389(3) .
C21 C26 1.390(3) .
C21 C22 1.397(3) .
C22 C23 1.394(3) .
C23 C24 1.379(4) .
C24 C25 1.381(4) .
C25 C26 1.391(3) .
C31 C36 1.390(3) .
C31 C32 1.395(3) .
C32 C33 1.397(3) .
C33 C34 1.376(4) .
C34 C35 1.371(4) .
C35 C36 1.391(3) .
C41 C46 1.390(3) .
C41 C42 1.390(3) .
C42 C43 1.391(3) .
C43 C44 1.374(4) .
C44 C45 1.371(4) .
C45 C46 1.389(4) .
C51 C52 1.387(3) .
C51 C56 1.403(3) .
C52 C53 1.393(3) .
C53 C54 1.374(4) .
C54 C55 1.382(4) .
C55 C56 1.382(3) .
C61 C66 1.393(3) .
C61 C62 1.397(3) .
C62 C63 1.387(3) .
C63 C64 1.384(3) .
C64 C65 1.381(3) .
C65 C66 1.391(3) .
C71 C72 1.382(4) .
C71 C76 1.385(3) .
C72 C73 1.391(4) .
C73 C74 1.376(5) .
C74 C75 1.362(6) .
C75 C76 1.397(4) .
C81 C86 1.393(3) .
C81 C82 1.393(3) .
C82 C83 1.386(3) .
C83 C84 1.381(4) .
C84 C85 1.377(4) .
C85 C86 1.388(3) .
C91 C92 1.388(3) .
C91 C96 1.400(3) .
C92 C93 1.394(3) .
C93 C94 1.389(4) .
C94 C95 1.373(5) .
C95 C96 1.389(3) .
C101 C102 1.373(3) .
C101 C106 1.389(3) .
C102 C103 1.403(4) .
C103 C104 1.366(5) .
C104 C105 1.359(5) .
C105 C106 1.390(4) .
C111 C116 1.387(3) .
C111 C112 1.389(4) .
C112 C113 1.392(4) .
C113 C114 1.369(5) .
C114 C115 1.374(5) .
C115 C116 1.381(4) .
C121 C122 1.384(4) .
C121 C126 1.400(3) .
C122 C123 1.397(4) .
C123 C124 1.368(5) .
C124 C125 1.375(5) .
C125 C126 1.392(4) .
F10S C11S 1.330(3) .
C11S C12S 1.3900 .
C11S C16S 1.3900 .
C12S C13S 1.3900 .
C13S C14S 1.3900 .
C14S C15S 1.3900 .
C15S C16S 1.3900 .
F20S C21S 1.358(3) .
C21S C22S 1.3900 .
C21S C26S 1.3900 .
C22S C23S 1.3900 .
C23S C24S 1.3900 .
C24S C25S 1.3900 .
C25S C26S 1.3900 .
F30S C31S 1.367(4) .
F31S C32S 1.358(4) .
C31S C33S 1.340(7) 2_566
C31S C32S 1.393(7) .
C32S C33S 1.350(7) .
C33S C31S 1.340(7) 2_566
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 Ir Rh C3 176.02(9) . .
P3 Ir Rh C3 55.19(7) . .
P1 Ir Rh C3 -91.12(7) . .
Ge1 Ir Rh C3 85.25(7) . .
C1 Ir Rh C2 7.33(9) . .
P3 Ir Rh C2 -113.50(7) . .
P1 Ir Rh C2 100.19(7) . .
Ge1 Ir Rh C2 -83.45(6) . .
C1 Ir Rh P2 -85.39(6) . .
P3 Ir Rh P2 153.77(3) . .
P1 Ir Rh P2 7.469(17) . .
Ge1 Ir Rh P2 -176.169(14) . .
C1 Ir Rh Ge2 100.91(7) . .
P3 Ir Rh Ge2 -19.92(5) . .
P1 Ir Rh Ge2 -166.23(3) . .
Ge1 Ir Rh Ge2 10.14(3) . .
C1 Ir Rh Ge1 90.77(6) . .
P3 Ir Rh Ge1 -30.06(3) . .
P1 Ir Rh Ge1 -176.362(13) . .
C1 Ir Ge1 C101 14.66(10) . .
P3 Ir Ge1 C101 -84.87(8) . .
P1 Ir Ge1 C101 113.63(8) . .
Rh Ir Ge1 C101 107.05(8) . .
C1 Ir Ge1 C91 151.63(10) . .
P3 Ir Ge1 C91 52.10(8) . .
P1 Ir Ge1 C91 -109.41(8) . .
Rh Ir Ge1 C91 -115.99(8) . .
C1 Ir Ge1 Rh -92.39(6) . .
P3 Ir Ge1 Rh 168.086(13) . .
P1 Ir Ge1 Rh 6.58(2) . .
C3 Rh Ge1 C101 148.50(10) . .
C2 Rh Ge1 C101 -20.65(9) . .
P2 Rh Ge1 C101 -109.75(7) . .
Ge2 Rh Ge1 C101 66.16(7) . .
Ir Rh Ge1 C101 -116.70(7) . .
C3 Rh Ge1 C91 22.93(10) . .
C2 Rh Ge1 C91 -146.22(10) . .
P2 Rh Ge1 C91 124.69(8) . .
Ge2 Rh Ge1 C91 -59.41(7) . .
Ir Rh Ge1 C91 117.74(7) . .
C3 Rh Ge1 Ir -94.80(6) . .
C2 Rh Ge1 Ir 96.04(6) . .
P2 Rh Ge1 Ir 6.95(3) . .
Ge2 Rh Ge1 Ir -177.147(8) . .
C3 Rh Ge2 C111 -36.75(10) . .
C2 Rh Ge2 C111 133.63(10) . .
P2 Rh Ge2 C111 -134.10(8) . .
Ge1 Rh Ge2 C111 48.20(8) . .
Ir Rh Ge2 C111 39.48(8) . .
C3 Rh Ge2 C121 -162.80(11) . .
C2 Rh Ge2 C121 7.57(10) . .
P2 Rh Ge2 C121 99.84(8) . .
Ge1 Rh Ge2 C121 -77.85(8) . .
Ir Rh Ge2 C121 -86.57(9) . .
C1 Ir P1 C21 -179.23(10) . .
P3 Ir P1 C21 -79.10(8) . .
Ge1 Ir P1 C21 81.88(8) . .
Rh Ir P1 C21 87.31(7) . .
C1 Ir P1 C11 -53.23(10) . .
P3 Ir P1 C11 46.89(8) . .
Ge1 Ir P1 C11 -152.13(7) . .
Rh Ir P1 C11 -146.69(7) . .
C1 Ir P1 C4 60.93(9) . .
P3 Ir P1 C4 161.05(7) . .
Ge1 Ir P1 C4 -37.97(7) . .
Rh Ir P1 C4 -32.54(7) . .
C3 Rh P2 C31 -11.83(10) . .
C2 Rh P2 C31 162.37(10) . .
Ge2 Rh P2 C31 73.48(8) . .
Ge1 Rh P2 C31 -110.40(8) . .
Ir Rh P2 C31 -104.84(8) . .
C3 Rh P2 C4 111.11(9) . .
C2 Rh P2 C4 -74.69(9) . .
Ge2 Rh P2 C4 -163.58(7) . .
Ge1 Rh P2 C4 12.54(8) . .
Ir Rh P2 C4 18.10(7) . .
C3 Rh P2 C41 -133.18(10) . .
C2 Rh P2 C41 41.02(10) . .
Ge2 Rh P2 C41 -47.87(8) . .
Ge1 Rh P2 C41 128.25(8) . .
Ir Rh P2 C41 133.81(8) . .
C1 Ir P3 C51 -2.78(10) . .
P1 Ir P3 C51 -98.73(8) . .
Ge1 Ir P3 C51 91.95(7) . .
Rh Ir P3 C51 117.10(8) . .
C1 Ir P3 C61 118.39(9) . .
P1 Ir P3 C61 22.43(7) . .
Ge1 Ir P3 C61 -146.89(7) . .
Rh Ir P3 C61 -121.73(7) . .
C1 Ir P3 C5 -123.11(10) . .
P1 Ir P3 C5 140.94(8) . .
Ge1 Ir P3 C5 -28.38(8) . .
Rh Ir P3 C5 -3.22(9) . .
P3 Ir C1 O1 -24(20) . .
P1 Ir C1 O1 85(20) . .
Ge1 Ir C1 O1 -128(20) . .
Rh Ir C1 O1 176(100) . .
C3 Rh C2 O2 149(7) . .
P2 Rh C2 O2 -3(8) . .
Ge2 Rh C2 O2 98(8) . .
Ge1 Rh C2 O2 -149(8) . .
Ir Rh C2 O2 -97(8) . .
C2 Rh C3 O3 -93(6) . .
P2 Rh C3 O3 58(6) . .
Ge2 Rh C3 O3 -42(6) . .
Ge1 Rh C3 O3 -155(6) . .
Ir Rh C3 O3 153(6) . .
C31 P2 C4 P1 86.17(12) . .
C41 P2 C4 P1 -168.68(11) . .
Rh P2 C4 P1 -45.88(11) . .
C21 P1 C4 P2 -76.44(12) . .
C11 P1 C4 P2 176.29(10) . .
Ir P1 C4 P2 54.35(11) . .
C51 P3 C5 P4 67.92(13) . .
C61 P3 C5 P4 -39.76(14) . .
Ir P3 C5 P4 -166.47(8) . .
C81 P4 C5 P3 -165.49(12) . .
C71 P4 C5 P3 93.50(13) . .
C21 P1 C11 C16 -142.29(17) . .
C4 P1 C11 C16 -36.22(19) . .
Ir P1 C11 C16 83.00(18) . .
C21 P1 C11 C12 46.83(18) . .
C4 P1 C11 C12 152.90(16) . .
Ir P1 C11 C12 -87.88(16) . .
C16 C11 C12 C13 -1.0(3) . .
P1 C11 C12 C13 170.14(17) . .
C11 C12 C13 C14 0.3(3) . .
C12 C13 C14 C15 0.7(4) . .
C13 C14 C15 C16 -1.1(4) . .
C14 C15 C16 C11 0.4(4) . .
C12 C11 C16 C15 0.7(3) . .
P1 C11 C16 C15 -170.40(18) . .
C11 P1 C21 C26 31.90(19) . .
C4 P1 C21 C26 -73.72(18) . .
Ir P1 C21 C26 162.53(14) . .
C11 P1 C21 C22 -151.43(17) . .
C4 P1 C21 C22 102.95(17) . .
Ir P1 C21 C22 -20.79(19) . .
C26 C21 C22 C23 -0.4(3) . .
P1 C21 C22 C23 -177.19(18) . .
C21 C22 C23 C24 -0.8(4) . .
C22 C23 C24 C25 1.0(4) . .
C23 C24 C25 C26 0.0(4) . .
C22 C21 C26 C25 1.5(3) . .
P1 C21 C26 C25 178.20(17) . .
C24 C25 C26 C21 -1.3(4) . .
C4 P2 C31 C36 31.3(2) . .
C41 P2 C31 C36 -75.5(2) . .
Rh P2 C31 C36 156.65(16) . .
C4 P2 C31 C32 -153.77(17) . .
C41 P2 C31 C32 99.36(18) . .
Rh P2 C31 C32 -28.5(2) . .
C36 C31 C32 C33 0.3(3) . .
P2 C31 C32 C33 -174.78(18) . .
C31 C32 C33 C34 -0.4(4) . .
C32 C33 C34 C35 -0.1(4) . .
C33 C34 C35 C36 0.8(4) . .
C32 C31 C36 C35 0.4(4) . .
P2 C31 C36 C35 175.4(2) . .
C34 C35 C36 C31 -1.0(4) . .
C31 P2 C41 C46 149.3(2) . .
C4 P2 C41 C46 40.9(2) . .
Rh P2 C41 C46 -78.7(2) . .
C31 P2 C41 C42 -37.2(2) . .
C4 P2 C41 C42 -145.58(19) . .
Rh P2 C41 C42 94.76(18) . .
C46 C41 C42 C43 -1.2(4) . .
P2 C41 C42 C43 -175.0(2) . .
C41 C42 C43 C44 -0.2(4) . .
C42 C43 C44 C45 0.8(5) . .
C43 C44 C45 C46 0.1(5) . .
C44 C45 C46 C41 -1.6(5) . .
C42 C41 C46 C45 2.1(4) . .
P2 C41 C46 C45 175.7(2) . .
C61 P3 C51 C52 118.21(19) . .
C5 P3 C51 C52 11.7(2) . .
Ir P3 C51 C52 -113.58(17) . .
C61 P3 C51 C56 -64.32(18) . .
C5 P3 C51 C56 -170.79(16) . .
Ir P3 C51 C56 63.90(17) . .
C56 C51 C52 C53 -0.1(3) . .
P3 C51 C52 C53 177.4(2) . .
C51 C52 C53 C54 1.6(4) . .
C52 C53 C54 C55 -1.6(4) . .
C53 C54 C55 C56 0.1(4) . .
C54 C55 C56 C51 1.4(4) . .
C52 C51 C56 C55 -1.4(3) . .
P3 C51 C56 C55 -179.03(18) . .
C51 P3 C61 C66 -9.39(19) . .
C5 P3 C61 C66 99.16(18) . .
Ir P3 C61 C66 -136.07(15) . .
C51 P3 C61 C62 170.23(15) . .
C5 P3 C61 C62 -81.22(17) . .
Ir P3 C61 C62 43.55(17) . .
C66 C61 C62 C63 1.3(3) . .
P3 C61 C62 C63 -178.30(16) . .
C61 C62 C63 C64 0.4(3) . .
C62 C63 C64 C65 -1.7(3) . .
C63 C64 C65 C66 1.2(4) . .
C64 C65 C66 C61 0.5(3) . .
C62 C61 C66 C65 -1.8(3) . .
P3 C61 C66 C65 177.83(17) . .
C81 P4 C71 C72 -58.7(2) . .
C5 P4 C71 C72 44.4(2) . .
C81 P4 C71 C76 119.96(19) . .
C5 P4 C71 C76 -136.96(18) . .
C76 C71 C72 C73 -0.1(4) . .
P4 C71 C72 C73 178.5(2) . .
C71 C72 C73 C74 -0.8(5) . .
C72 C73 C74 C75 1.0(5) . .
C73 C74 C75 C76 -0.2(5) . .
C72 C71 C76 C75 0.9(4) . .
P4 C71 C76 C75 -177.8(2) . .
C74 C75 C76 C71 -0.7(5) . .
C71 P4 C81 C86 -93.19(19) . .
C5 P4 C81 C86 163.94(18) . .
C71 P4 C81 C82 83.4(2) . .
C5 P4 C81 C82 -19.5(2) . .
C86 C81 C82 C83 0.2(4) . .
P4 C81 C82 C83 -176.3(2) . .
C81 C82 C83 C84 0.2(4) . .
C82 C83 C84 C85 -0.2(5) . .
C83 C84 C85 C86 -0.2(5) . .
C84 C85 C86 C81 0.7(4) . .
C82 C81 C86 C85 -0.7(4) . .
P4 C81 C86 C85 176.2(2) . .
C101 Ge1 C91 C92 175.38(18) . .
Ir Ge1 C91 C92 32.3(2) . .
Rh Ge1 C91 C92 -54.71(19) . .
C101 Ge1 C91 C96 -4.1(2) . .
Ir Ge1 C91 C96 -147.15(15) . .
Rh Ge1 C91 C96 125.79(16) . .
C96 C91 C92 C93 -0.8(3) . .
Ge1 C91 C92 C93 179.73(18) . .
C91 C92 C93 C94 0.6(4) . .
C92 C93 C94 C95 -0.3(4) . .
C93 C94 C95 C96 0.2(4) . .
C94 C95 C96 C91 -0.4(4) . .
C92 C91 C96 C95 0.7(3) . .
Ge1 C91 C96 C95 -179.83(19) . .
C91 Ge1 C101 C102 -96.8(2) . .
Ir Ge1 C101 C102 47.0(2) . .
Rh Ge1 C101 C102 128.78(19) . .
C91 Ge1 C101 C106 85.4(2) . .
Ir Ge1 C101 C106 -130.78(18) . .
Rh Ge1 C101 C106 -49.0(2) . .
C106 C101 C102 C103 -0.9(4) . .
Ge1 C101 C102 C103 -178.7(2) . .
C101 C102 C103 C104 0.0(5) . .
C102 C103 C104 C105 1.2(5) . .
C103 C104 C105 C106 -1.5(5) . .
C102 C101 C106 C105 0.6(4) . .
Ge1 C101 C106 C105 178.5(2) . .
C104 C105 C106 C101 0.6(4) . .
C121 Ge2 C111 C116 -98.0(2) . .
Rh Ge2 C111 C116 132.33(18) . .
C121 Ge2 C111 C112 84.1(2) . .
Rh Ge2 C111 C112 -45.5(2) . .
C116 C111 C112 C113 -0.2(4) . .
Ge2 C111 C112 C113 177.6(2) . .
C111 C112 C113 C114 -0.7(4) . .
C112 C113 C114 C115 0.9(5) . .
C113 C114 C115 C116 -0.1(5) . .
C114 C115 C116 C111 -0.8(5) . .
C112 C111 C116 C115 1.0(4) . .
Ge2 C111 C116 C115 -177.0(3) . .
C111 Ge2 C121 C122 -26.5(2) . .
Rh Ge2 C121 C122 103.81(19) . .
C111 Ge2 C121 C126 156.52(18) . .
Rh Ge2 C121 C126 -73.17(19) . .
C126 C121 C122 C123 0.9(4) . .
Ge2 C121 C122 C123 -176.1(2) . .
C121 C122 C123 C124 -1.2(5) . .
C122 C123 C124 C125 0.3(5) . .
C123 C124 C125 C126 0.9(5) . .
C124 C125 C126 C121 -1.2(4) . .
C122 C121 C126 C125 0.3(4) . .
Ge2 C121 C126 C125 177.4(2) . .
F10S C11S C12S C13S 177.4(6) . .
C16S C11S C12S C13S 0.0 . .
C11S C12S C13S C14S 0.0 . .
C12S C13S C14S C15S 0.0 . .
C13S C14S C15S C16S 0.0 . .
C14S C15S C16S C11S 0.0 . .
F10S C11S C16S C15S -177.4(6) . .
C12S C11S C16S C15S 0.0 . .
F20S C21S C22S C23S -166.5(14) . .
C26S C21S C22S C23S 0.0 . .
C21S C22S C23S C24S 0.0 . .
C22S C23S C24S C25S 0.0 . .
C23S C24S C25S C26S 0.0 . .
C24S C25S C26S C21S 0.0 . .
F20S C21S C26S C25S 166.6(14) . .
C22S C21S C26S C25S 0.0 . .
C33S C31S C32S C33S 2.8(9) 2_566 .
F30S C31S C32S C33S -167.7(10) . .
C33S C31S C32S F31S -171.0(10) 2_566 .
F31S C32S C33S C31S 170.6(11) . 2_566
C31S C32S C33S C31S -2.8(9) . 2_566
