# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ta59h2_complex2
_database_code_depnum_ccdc_archive 'CCDC 1438402'
_audit_update_record             
;
2015-11-23 deposited with the CCDC.
2016-02-02 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C36 H62 Ge P3 Rh'
_chemical_formula_sum            'C36 H62 Ge P3 Rh'
_chemical_formula_weight         763.26

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'
Ge Ge 0.1547 1.8001 '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'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   28.273(5)
_cell_length_b                   17.334(3)
_cell_length_c                   23.140(4)
_cell_angle_alpha                90
_cell_angle_beta                 97.339(6)
_cell_angle_gamma                90
_cell_volume                     11248(3)
_cell_formula_units_Z            12
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9905
_cell_measurement_theta_min      2.32
_cell_measurement_theta_max      39.68

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.352
_exptl_crystal_F_000             4800
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.360
_exptl_crystal_size_min          0.340
_exptl_absorpt_coefficient_mu    1.393
_shelx_estimated_absorpt_T_min   0.543
_shelx_estimated_absorpt_T_max   0.649
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6139
_exptl_absorpt_correction_T_max  0.7481
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            498870
_diffrn_reflns_av_unetI/netI     0.0876
_diffrn_reflns_av_R_equivalents  0.1079
_diffrn_reflns_limit_h_min       -52
_diffrn_reflns_limit_h_max       52
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_theta_min         2.128
_diffrn_reflns_theta_max         41.232
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             74954
_reflns_number_gt                47292
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick 2013)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0289P)²+8.4068P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         74954
_refine_ls_number_parameters     1159
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1140
_refine_ls_R_factor_gt           0.0526
_refine_ls_wR_factor_ref         0.0960
_refine_ls_wR_factor_gt          0.0814
_refine_ls_goodness_of_fit_ref   0.996
_refine_ls_restrained_S_all      0.996
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.21917(2) 0.27868(2) 0.30713(2) 0.00808(2) Uani 1 1 d . . . . .
H1 H 0.2116(9) 0.3613(16) 0.3308(12) 0.049(8) Uiso 1 1 d . . . . .
H2 H 0.2721(9) 0.2853(14) 0.3258(11) 0.039(7) Uiso 1 1 d . . . . .
Ge1 Ge 0.23343(2) 0.26132(2) 0.41301(2) 0.00890(3) Uani 1 1 d . . . . .
P1 P 0.23829(2) 0.15041(2) 0.28263(2) 0.01094(7) Uani 1 1 d . . . . .
P2 P 0.13463(2) 0.28094(2) 0.29677(2) 0.01091(7) Uani 1 1 d . . . . .
P3 P 0.23894(2) 0.35242(2) 0.22881(2) 0.01155(7) Uani 1 1 d . . . . .
C1 C 0.25495(6) 0.35698(9) 0.45728(7) 0.0121(3) Uani 1 1 d . . . . .
C2 C 0.25305(6) 0.43068(9) 0.43270(7) 0.0149(3) Uani 1 1 d . . . . .
H2A H 0.2443 0.4361 0.3919 0.018 Uiso 1 1 calc R U . . .
C3 C 0.26367(7) 0.49646(9) 0.46661(8) 0.0179(3) Uani 1 1 d . . . . .
H3A H 0.2619 0.5459 0.4487 0.022 Uiso 1 1 calc R U . . .
C4 C 0.27681(6) 0.49015(10) 0.52618(8) 0.0184(3) Uani 1 1 d . . . . .
H4A H 0.2834 0.5350 0.5494 0.022 Uiso 1 1 calc R U . . .
C5 C 0.28022(6) 0.41734(10) 0.55155(7) 0.0181(3) Uani 1 1 d . . . . .
H5A H 0.2898 0.4122 0.5922 0.022 Uiso 1 1 calc R U . . .
C6 C 0.26969(6) 0.35195(9) 0.51744(7) 0.0154(3) Uani 1 1 d . . . . .
H6A H 0.2726 0.3026 0.5353 0.018 Uiso 1 1 calc R U . . .
C7 C 0.28671(6) 0.19027(9) 0.44294(7) 0.0125(3) Uani 1 1 d . . . . .
C8 C 0.33364(6) 0.21096(10) 0.43643(7) 0.0161(3) Uani 1 1 d . . . . .
H8 H 0.3393 0.2587 0.4184 0.019 Uiso 1 1 calc R U . . .
C9 C 0.37216(6) 0.16382(11) 0.45558(8) 0.0195(3) Uani 1 1 d . . . . .
H9 H 0.4036 0.1800 0.4512 0.023 Uiso 1 1 calc R U . . .
C10 C 0.36489(7) 0.09344(12) 0.48100(9) 0.0257(4) Uani 1 1 d . . . . .
H10 H 0.3912 0.0613 0.4944 0.031 Uiso 1 1 calc R U . . .
C11 C 0.31888(8) 0.07018(12) 0.48679(10) 0.0299(5) Uani 1 1 d . . . . .
H11 H 0.3134 0.0211 0.5029 0.036 Uiso 1 1 calc R U . . .
C12 C 0.28057(7) 0.11885(10) 0.46891(9) 0.0219(4) Uani 1 1 d . . . . .
H12 H 0.2493 0.1030 0.4745 0.026 Uiso 1 1 calc R U . . .
C13 C 0.18112(5) 0.22746(9) 0.45810(7) 0.0124(3) Uani 1 1 d . . . . .
C14 C 0.15890(6) 0.15529(9) 0.44929(7) 0.0149(3) Uani 1 1 d . . . . .
H14 H 0.1699 0.1204 0.4223 0.018 Uiso 1 1 calc R U . . .
C15 C 0.12119(6) 0.13316(11) 0.47882(8) 0.0198(3) Uani 1 1 d . . . . .
H15 H 0.1074 0.0834 0.4725 0.024 Uiso 1 1 calc R U . . .
C16 C 0.10362(7) 0.18350(12) 0.51747(8) 0.0239(4) Uani 1 1 d . . . . .
H16 H 0.0774 0.1691 0.5370 0.029 Uiso 1 1 calc R U . . .
C17 C 0.12497(7) 0.25522(12) 0.52715(8) 0.0241(4) Uani 1 1 d . . . . .
H17 H 0.1134 0.2901 0.5537 0.029 Uiso 1 1 calc R U . . .
C18 C 0.16317(6) 0.27634(10) 0.49839(8) 0.0178(3) Uani 1 1 d . . . . .
H18 H 0.1776 0.3254 0.5062 0.021 Uiso 1 1 calc R U . . .
C19 C 0.21195(6) 0.07452(9) 0.32420(8) 0.0171(3) Uani 1 1 d . . . . .
H19A H 0.2214 0.0853 0.3661 0.021 Uiso 1 1 calc R U . . .
H19B H 0.1769 0.0803 0.3167 0.021 Uiso 1 1 calc R U . . .
C20 C 0.22357(9) -0.00996(10) 0.31372(10) 0.0296(5) Uani 1 1 d . . . . .
H20A H 0.2113 -0.0241 0.2736 0.044 Uiso 1 1 calc R U . . .
H20B H 0.2087 -0.0426 0.3409 0.044 Uiso 1 1 calc R U . . .
H20C H 0.2582 -0.0173 0.3199 0.044 Uiso 1 1 calc R U . . .
C21 C 0.30182(6) 0.12345(9) 0.29770(8) 0.0158(3) Uani 1 1 d . . . . .
H21A H 0.3120 0.1284 0.3401 0.019 Uiso 1 1 calc R U . . .
H21B H 0.3051 0.0685 0.2872 0.019 Uiso 1 1 calc R U . . .
C22 C 0.33544(7) 0.17095(12) 0.26560(10) 0.0284(4) Uani 1 1 d . . . . .
H22A H 0.3265 0.1652 0.2235 0.043 Uiso 1 1 calc R U . . .
H22B H 0.3682 0.1528 0.2763 0.043 Uiso 1 1 calc R U . . .
H22C H 0.3332 0.2254 0.2764 0.043 Uiso 1 1 calc R U . . .
C23 C 0.22631(7) 0.11340(10) 0.20737(7) 0.0190(3) Uani 1 1 d . . . . .
H23A H 0.2446 0.1449 0.1823 0.023 Uiso 1 1 calc R U . . .
H23B H 0.2385 0.0599 0.2068 0.023 Uiso 1 1 calc R U . . .
C24 C 0.17413(8) 0.11346(12) 0.18082(9) 0.0298(5) Uani 1 1 d . . . . .
H24A H 0.1565 0.0756 0.2011 0.045 Uiso 1 1 calc R U . . .
H24B H 0.1718 0.1000 0.1394 0.045 Uiso 1 1 calc R U . . .
H24C H 0.1605 0.1649 0.1849 0.045 Uiso 1 1 calc R U . . .
C25 C 0.10767(6) 0.32911(10) 0.35590(7) 0.0173(3) Uani 1 1 d . . . . .
H25A H 0.0726 0.3282 0.3459 0.021 Uiso 1 1 calc R U . . .
H25B H 0.1155 0.2987 0.3921 0.021 Uiso 1 1 calc R U . . .
C26 C 0.12322(7) 0.41237(12) 0.36838(9) 0.0269(4) Uani 1 1 d . . . . .
H26A H 0.1572 0.4135 0.3837 0.040 Uiso 1 1 calc R U . . .
H26B H 0.1045 0.4346 0.3972 0.040 Uiso 1 1 calc R U . . .
H26C H 0.1179 0.4425 0.3323 0.040 Uiso 1 1 calc R U . . .
C27 C 0.10184(6) 0.33552(9) 0.23593(7) 0.0151(3) Uani 1 1 d . . . . .
H27A H 0.0681 0.3395 0.2429 0.018 Uiso 1 1 calc R U . . .
H27B H 0.1149 0.3885 0.2367 0.018 Uiso 1 1 calc R U . . .
C28 C 0.10303(7) 0.30256(11) 0.17496(8) 0.0222(4) Uani 1 1 d . . . . .
H28A H 0.1362 0.2967 0.1676 0.033 Uiso 1 1 calc R U . . .
H28B H 0.0864 0.3377 0.1460 0.033 Uiso 1 1 calc R U . . .
H28C H 0.0873 0.2521 0.1721 0.033 Uiso 1 1 calc R U . . .
C29 C 0.10094(6) 0.18921(10) 0.29338(8) 0.0174(3) Uani 1 1 d . . . . .
H29A H 0.1116 0.1573 0.2620 0.021 Uiso 1 1 calc R U . . .
H29B H 0.1099 0.1614 0.3305 0.021 Uiso 1 1 calc R U . . .
C30 C 0.04657(6) 0.19423(11) 0.28280(9) 0.0230(4) Uani 1 1 d . . . . .
H30A H 0.0352 0.2260 0.3132 0.035 Uiso 1 1 calc R U . . .
H30B H 0.0330 0.1423 0.2838 0.035 Uiso 1 1 calc R U . . .
H30C H 0.0367 0.2176 0.2446 0.035 Uiso 1 1 calc R U . . .
C31 C 0.29763(6) 0.39804(10) 0.25067(8) 0.0169(3) Uani 1 1 d . . . . .
H31A H 0.2976 0.4185 0.2906 0.020 Uiso 1 1 calc R U . . .
H31B H 0.3220 0.3567 0.2530 0.020 Uiso 1 1 calc R U . . .
C32 C 0.31439(7) 0.46285(10) 0.21359(9) 0.0230(4) Uani 1 1 d . . . . .
H32A H 0.3151 0.4443 0.1737 0.035 Uiso 1 1 calc R U . . .
H32B H 0.3465 0.4793 0.2301 0.035 Uiso 1 1 calc R U . . .
H32C H 0.2924 0.5066 0.2132 0.035 Uiso 1 1 calc R U . . .
C33 C 0.20302(6) 0.43821(9) 0.20398(7) 0.0164(3) Uani 1 1 d . . . . .
H33A H 0.2176 0.4636 0.1723 0.020 Uiso 1 1 calc R U . . .
H33B H 0.1706 0.4212 0.1877 0.020 Uiso 1 1 calc R U . . .
C34 C 0.19887(7) 0.49696(10) 0.25221(8) 0.0203(3) Uani 1 1 d . . . . .
H34A H 0.1838 0.4726 0.2834 0.030 Uiso 1 1 calc R U . . .
H34B H 0.1794 0.5407 0.2363 0.030 Uiso 1 1 calc R U . . .
H34C H 0.2307 0.5152 0.2679 0.030 Uiso 1 1 calc R U . . .
C35 C 0.24501(8) 0.30550(10) 0.15803(8) 0.0230(4) Uani 1 1 d . . . . .
H35A H 0.2766 0.2799 0.1622 0.028 Uiso 1 1 calc R U . . .
H35B H 0.2207 0.2642 0.1523 0.028 Uiso 1 1 calc R U . . .
C36 C 0.24079(11) 0.35233(13) 0.10232(9) 0.0407(6) Uani 1 1 d . . . . .
H36A H 0.2089 0.3754 0.0951 0.061 Uiso 1 1 calc R U . . .
H36B H 0.2459 0.3186 0.0697 0.061 Uiso 1 1 calc R U . . .
H36C H 0.2649 0.3933 0.1061 0.061 Uiso 1 1 calc R U . . .
Rh2 Rh 0.55813(2) 0.23192(2) 0.14925(2) 0.00866(2) Uani 1 1 d . . . . .
H3 H 0.5566(10) 0.1524(16) 0.1759(12) 0.054(9) Uiso 1 1 d . . . . .
H4 H 0.6112(9) 0.2323(14) 0.1728(11) 0.035(7) Uiso 1 1 d . . . . .
Ge2 Ge 0.56222(2) 0.25863(2) 0.25400(2) 0.00885(3) Uani 1 1 d . . . . .
P4 P 0.47394(2) 0.22239(2) 0.13247(2) 0.01042(7) Uani 1 1 d . . . . .
P5 P 0.57352(2) 0.35964(2) 0.11913(2) 0.01299(7) Uani 1 1 d . . . . .
P6 P 0.58453(2) 0.15348(2) 0.07792(2) 0.01221(7) Uani 1 1 d . . . . .
C37 C 0.57838(5) 0.16743(9) 0.30568(7) 0.0121(3) Uani 1 1 d . . . . .
C38 C 0.56401(6) 0.09248(9) 0.28942(8) 0.0166(3) Uani 1 1 d . . . . .
H38 H 0.5478 0.0837 0.2514 0.020 Uiso 1 1 calc R U . . .
C39 C 0.57282(7) 0.03028(10) 0.32758(8) 0.0202(3) Uani 1 1 d . . . . .
H39 H 0.5623 -0.0199 0.3155 0.024 Uiso 1 1 calc R U . . .
C40 C 0.59680(7) 0.04127(11) 0.38291(8) 0.0217(4) Uani 1 1 d . . . . .
H40 H 0.6031 -0.0011 0.4088 0.026 Uiso 1 1 calc R U . . .
C41 C 0.61166(7) 0.11519(11) 0.40018(8) 0.0210(3) Uani 1 1 d . . . . .
H41 H 0.6280 0.1235 0.4381 0.025 Uiso 1 1 calc R U . . .
C42 C 0.60259(6) 0.17712(10) 0.36197(7) 0.0157(3) Uani 1 1 d . . . . .
H42 H 0.6131 0.2272 0.3744 0.019 Uiso 1 1 calc R U . . .
C43 C 0.61483(5) 0.32909(8) 0.28641(7) 0.0112(3) Uani 1 1 d . . . . .
C44 C 0.66103(6) 0.31529(10) 0.27268(7) 0.0165(3) Uani 1 1 d . . . . .
H44 H 0.6662 0.2733 0.2478 0.020 Uiso 1 1 calc R U . . .
C45 C 0.69947(6) 0.36138(11) 0.29448(8) 0.0196(3) Uani 1 1 d . . . . .
H45 H 0.7304 0.3504 0.2847 0.024 Uiso 1 1 calc R U . . .
C46 C 0.69275(7) 0.42337(11) 0.33042(8) 0.0212(4) Uani 1 1 d . . . . .
H46 H 0.7188 0.4557 0.3446 0.025 Uiso 1 1 calc R U . . .
C47 C 0.64749(7) 0.43765(11) 0.34549(9) 0.0240(4) Uani 1 1 d . . . . .
H47 H 0.6426 0.4796 0.3704 0.029 Uiso 1 1 calc R U . . .
C48 C 0.60929(6) 0.39041(10) 0.32401(8) 0.0175(3) Uani 1 1 d . . . . .
H48 H 0.5787 0.4003 0.3353 0.021 Uiso 1 1 calc R U . . .
C49 C 0.50579(6) 0.29772(9) 0.29004(7) 0.0120(3) Uani 1 1 d . . . . .
C50 C 0.48913(6) 0.37394(9) 0.28419(7) 0.0147(3) Uani 1 1 d . . . . .
H50 H 0.5057 0.4097 0.2631 0.018 Uiso 1 1 calc R U . . .
C51 C 0.44915(6) 0.39889(10) 0.30827(8) 0.0191(3) Uani 1 1 d . . . . .
H51 H 0.4390 0.4510 0.3034 0.023 Uiso 1 1 calc R U . . .
C52 C 0.42411(7) 0.34799(11) 0.33932(8) 0.0225(4) Uani 1 1 d . . . . .
H52 H 0.3968 0.3647 0.3558 0.027 Uiso 1 1 calc R U . . .
C53 C 0.43976(6) 0.27205(11) 0.34592(8) 0.0211(3) Uani 1 1 d . . . . .
H53 H 0.4229 0.2364 0.3669 0.025 Uiso 1 1 calc R U . . .
C54 C 0.47997(6) 0.24808(9) 0.32195(7) 0.0153(3) Uani 1 1 d . . . . .
H54 H 0.4903 0.1961 0.3275 0.018 Uiso 1 1 calc R U . . .
C55 C 0.44964(6) 0.15208(9) 0.18072(8) 0.0158(3) Uani 1 1 d . . . . .
H55A H 0.4626 0.1639 0.2215 0.019 Uiso 1 1 calc R U . . .
H55B H 0.4146 0.1586 0.1771 0.019 Uiso 1 1 calc R U . . .
C56 C 0.46073(7) 0.06798(9) 0.16813(8) 0.0196(3) Uani 1 1 d . . . . .
H56A H 0.4441 0.0533 0.1300 0.029 Uiso 1 1 calc R U . . .
H56B H 0.4501 0.0349 0.1983 0.029 Uiso 1 1 calc R U . . .
H56C H 0.4952 0.0618 0.1681 0.029 Uiso 1 1 calc R U . . .
C57 C 0.44464(6) 0.19052(10) 0.06042(7) 0.0170(3) Uani 1 1 d . . . . .
H57A H 0.4506 0.2304 0.0316 0.020 Uiso 1 1 calc R U . . .
H57B H 0.4608 0.1428 0.0499 0.020 Uiso 1 1 calc R U . . .
C58 C 0.39109(6) 0.17457(12) 0.05311(9) 0.0239(4) Uani 1 1 d . . . . .
H58A H 0.3839 0.1370 0.0825 0.036 Uiso 1 1 calc R U . . .
H58B H 0.3811 0.1538 0.0141 0.036 Uiso 1 1 calc R U . . .
H58C H 0.3739 0.2227 0.0581 0.036 Uiso 1 1 calc R U . . .
C59 C 0.44029(6) 0.31139(9) 0.14460(8) 0.0154(3) Uani 1 1 d . . . . .
H59A H 0.4619 0.3456 0.1700 0.018 Uiso 1 1 calc R U . . .
H59B H 0.4332 0.3377 0.1065 0.018 Uiso 1 1 calc R U . . .
C60 C 0.39382(7) 0.30590(12) 0.17099(11) 0.0299(5) Uani 1 1 d . . . . .
H60A H 0.3710 0.2741 0.1459 0.045 Uiso 1 1 calc R U . . .
H60B H 0.3806 0.3577 0.1743 0.045 Uiso 1 1 calc R U . . .
H60C H 0.3999 0.2824 0.2097 0.045 Uiso 1 1 calc R U . . .
C61 C 0.55002(7) 0.43853(9) 0.16126(8) 0.0197(3) Uani 1 1 d . . . . .
H61A H 0.5150 0.4317 0.1584 0.024 Uiso 1 1 calc R U . . .
H61B H 0.5630 0.4311 0.2027 0.024 Uiso 1 1 calc R U . . .
C62 C 0.55943(8) 0.52232(10) 0.14552(9) 0.0280(4) Uani 1 1 d . . . . .
H62A H 0.5939 0.5315 0.1494 0.042 Uiso 1 1 calc R U . . .
H62B H 0.5449 0.5569 0.1718 0.042 Uiso 1 1 calc R U . . .
H62C H 0.5455 0.5323 0.1052 0.042 Uiso 1 1 calc R U . . .
C63 C 0.63651(6) 0.38972(11) 0.12750(8) 0.0199(3) Uani 1 1 d . . . . .
H63A H 0.6379 0.4453 0.1181 0.024 Uiso 1 1 calc R U . . .
H63B H 0.6500 0.3833 0.1689 0.024 Uiso 1 1 calc R U . . .
C64 C 0.66780(7) 0.34638(12) 0.09009(10) 0.0272(4) Uani 1 1 d . . . . .
H64A H 0.6675 0.2913 0.0995 0.041 Uiso 1 1 calc R U . . .
H64B H 0.7005 0.3660 0.0976 0.041 Uiso 1 1 calc R U . . .
H64C H 0.6556 0.3538 0.0489 0.041 Uiso 1 1 calc R U . . .
C65 C 0.55539(6) 0.39078(10) 0.04328(7) 0.0185(3) Uani 1 1 d . . . . .
H65A H 0.5701 0.4416 0.0375 0.022 Uiso 1 1 calc R U . . .
H65B H 0.5683 0.3536 0.0168 0.022 Uiso 1 1 calc R U . . .
C66 C 0.50164(7) 0.39742(11) 0.02573(9) 0.0246(4) Uani 1 1 d . . . . .
H66A H 0.4863 0.3485 0.0336 0.037 Uiso 1 1 calc R U . . .
H66B H 0.4951 0.4093 -0.0159 0.037 Uiso 1 1 calc R U . . .
H66C H 0.4890 0.4387 0.0482 0.037 Uiso 1 1 calc R U . . .
C67 C 0.64600(6) 0.11933(10) 0.09961(8) 0.0160(3) Uani 1 1 d . . . . .
H67A H 0.6559 0.0880 0.0675 0.019 Uiso 1 1 calc R U . . .
H67B H 0.6674 0.1647 0.1049 0.019 Uiso 1 1 calc R U . . .
C68 C 0.65272(7) 0.07117(11) 0.15552(9) 0.0217(4) Uani 1 1 d . . . . .
H68A H 0.6417 0.1007 0.1873 0.033 Uiso 1 1 calc R U . . .
H68B H 0.6866 0.0586 0.1656 0.033 Uiso 1 1 calc R U . . .
H68C H 0.6342 0.0234 0.1495 0.033 Uiso 1 1 calc R U . . .
C69 C 0.55356(6) 0.05982(10) 0.06547(8) 0.0184(3) Uani 1 1 d . . . . .
H69A H 0.5531 0.0347 0.1038 0.022 Uiso 1 1 calc R U . . .
H69B H 0.5200 0.0704 0.0495 0.022 Uiso 1 1 calc R U . . .
C70 C 0.57365(8) 0.00188(12) 0.02509(10) 0.0304(5) Uani 1 1 d . . . . .
H70A H 0.5717 0.0236 -0.0142 0.046 Uiso 1 1 calc R U . . .
H70B H 0.5551 -0.0460 0.0239 0.046 Uiso 1 1 calc R U . . .
H70C H 0.6070 -0.0091 0.0397 0.046 Uiso 1 1 calc R U . . .
C71 C 0.58951(6) 0.18479(11) 0.00272(7) 0.0197(3) Uani 1 1 d . . . . .
H71A H 0.6082 0.2332 0.0042 0.024 Uiso 1 1 calc R U . . .
H71B H 0.6074 0.1452 -0.0163 0.024 Uiso 1 1 calc R U . . .
C72 C 0.54161(7) 0.19823(13) -0.03456(8) 0.0263(4) Uani 1 1 d . . . . .
H72A H 0.5241 0.1494 -0.0396 0.040 Uiso 1 1 calc R U . . .
H72B H 0.5471 0.2182 -0.0728 0.040 Uiso 1 1 calc R U . . .
H72C H 0.5230 0.2357 -0.0152 0.040 Uiso 1 1 calc R U . . .
Rh3 Rh 0.10721(2) 0.76457(2) 0.52844(2) 0.00863(2) Uani 1 1 d . . . . .
H5 H 0.1052(10) 0.8448(16) 0.5080(12) 0.049(8) Uiso 1 1 d . . . . .
H6 H 0.0542(8) 0.7553(13) 0.5070(10) 0.029(6) Uiso 1 1 d . . . . .
Ge3 Ge 0.10035(2) 0.74873(2) 0.42250(2) 0.00901(3) Uani 1 1 d . . . . .
P7 P 0.19070(2) 0.78716(2) 0.54578(2) 0.01120(7) Uani 1 1 d . . . . .
P8 P 0.10042(2) 0.63218(2) 0.55120(2) 0.01218(7) Uani 1 1 d . . . . .
P9 P 0.07678(2) 0.82736(2) 0.60452(2) 0.01276(7) Uani 1 1 d . . . . .
C73 C 0.07509(6) 0.84050(9) 0.37605(7) 0.0123(3) Uani 1 1 d . . . . .
C74 C 0.08389(7) 0.91622(9) 0.39477(8) 0.0191(3) Uani 1 1 d . . . . .
H74 H 0.0989 0.9253 0.4333 0.023 Uiso 1 1 calc R U . . .
C75 C 0.07118(8) 0.97895(10) 0.35828(8) 0.0250(4) Uani 1 1 d . . . . .
H75 H 0.0779 1.0299 0.3720 0.030 Uiso 1 1 calc R U . . .
C76 C 0.04877(7) 0.96713(11) 0.30213(8) 0.0237(4) Uani 1 1 d . . . . .
H76 H 0.0404 1.0098 0.2771 0.028 Uiso 1 1 calc R U . . .
C77 C 0.03865(7) 0.89228(11) 0.28269(8) 0.0223(4) Uani 1 1 d . . . . .
H77 H 0.0228 0.8836 0.2445 0.027 Uiso 1 1 calc R U . . .
C78 C 0.05179(6) 0.83005(10) 0.31928(7) 0.0168(3) Uani 1 1 d . . . . .
H78 H 0.0448 0.7792 0.3055 0.020 Uiso 1 1 calc R U . . .
C79 C 0.05284(6) 0.67009(9) 0.38851(7) 0.0115(3) Uani 1 1 d . . . . .
C80 C 0.06262(6) 0.61070(9) 0.35087(8) 0.0166(3) Uani 1 1 d . . . . .
H80 H 0.0937 0.6065 0.3397 0.020 Uiso 1 1 calc R U . . .
C81 C 0.02762(7) 0.55725(10) 0.32925(8) 0.0207(3) Uani 1 1 d . . . . .
H81 H 0.0353 0.5170 0.3042 0.025 Uiso 1 1 calc R U . . .
C82 C -0.01814(7) 0.56286(10) 0.34416(8) 0.0194(3) Uani 1 1 d . . . . .
H82 H -0.0418 0.5264 0.3297 0.023 Uiso 1 1 calc R U . . .
C83 C -0.02909(6) 0.62242(10) 0.38055(7) 0.0172(3) Uani 1 1 d . . . . .
H83 H -0.0605 0.6272 0.3907 0.021 Uiso 1 1 calc R U . . .
C84 C 0.00600(6) 0.67494(10) 0.40208(7) 0.0154(3) Uani 1 1 d . . . . .
H84 H -0.0020 0.7154 0.4268 0.018 Uiso 1 1 calc R U . . .
C85 C 0.15773(5) 0.72883(9) 0.38196(6) 0.0117(3) Uani 1 1 d . . . . .
C86 C 0.18058(6) 0.65696(9) 0.38220(7) 0.0149(3) Uani 1 1 d . . . . .
H86 H 0.1686 0.6151 0.4025 0.018 Uiso 1 1 calc R U . . .
C87 C 0.22024(6) 0.64536(10) 0.35349(7) 0.0176(3) Uani 1 1 d . . . . .
H87 H 0.2346 0.5958 0.3540 0.021 Uiso 1 1 calc R U . . .
C88 C 0.23908(6) 0.70557(10) 0.32412(8) 0.0185(3) Uani 1 1 d . . . . .
H88 H 0.2663 0.6976 0.3046 0.022 Uiso 1 1 calc R U . . .
C89 C 0.21752(6) 0.77777(10) 0.32372(8) 0.0184(3) Uani 1 1 d . . . . .
H89 H 0.2301 0.8196 0.3040 0.022 Uiso 1 1 calc R U . . .
C90 C 0.17758(6) 0.78878(9) 0.35218(7) 0.0148(3) Uani 1 1 d . . . . .
H90 H 0.1633 0.8384 0.3514 0.018 Uiso 1 1 calc R U . . .
C91 C 0.21065(6) 0.86720(10) 0.50234(8) 0.0190(3) Uani 1 1 d . . . . .
H91A H 0.2459 0.8674 0.5070 0.023 Uiso 1 1 calc R U . . .
H91B H 0.1994 0.8574 0.4607 0.023 Uiso 1 1 calc R U . . .
C92 C 0.19343(7) 0.94695(10) 0.51830(10) 0.0262(4) Uani 1 1 d . . . . .
H92A H 0.1588 0.9459 0.5183 0.039 Uiso 1 1 calc R U . . .
H92B H 0.2016 0.9848 0.4897 0.039 Uiso 1 1 calc R U . . .
H92C H 0.2089 0.9613 0.5571 0.039 Uiso 1 1 calc R U . . .
C93 C 0.22957(6) 0.70686(9) 0.52812(8) 0.0161(3) Uani 1 1 d . . . . .
H93A H 0.2354 0.6739 0.5632 0.019 Uiso 1 1 calc R U . . .
H93B H 0.2110 0.6755 0.4974 0.019 Uiso 1 1 calc R U . . .
C94 C 0.27722(8) 0.72263(13) 0.50819(14) 0.0487(8) Uani 1 1 d . . . . .
H94A H 0.2725 0.7497 0.4707 0.073 Uiso 1 1 calc R U . . .
H94B H 0.2938 0.6737 0.5037 0.073 Uiso 1 1 calc R U . . .
H94C H 0.2964 0.7548 0.5371 0.073 Uiso 1 1 calc R U . . .
C95 C 0.21750(6) 0.81474(11) 0.62023(8) 0.0190(3) Uani 1 1 d . . . . .
H95A H 0.1992 0.8593 0.6324 0.023 Uiso 1 1 calc R U . . .
H95B H 0.2123 0.7714 0.6465 0.023 Uiso 1 1 calc R U . . .
C96 C 0.26996(7) 0.83576(14) 0.63113(10) 0.0321(5) Uani 1 1 d . . . . .
H96A H 0.2893 0.7903 0.6248 0.048 Uiso 1 1 calc R U . . .
H96B H 0.2779 0.8537 0.6714 0.048 Uiso 1 1 calc R U . . .
H96C H 0.2767 0.8769 0.6043 0.048 Uiso 1 1 calc R U . . .
C97 C 0.13122(7) 0.56436(9) 0.50738(8) 0.0185(3) Uani 1 1 d . . . . .
H97A H 0.1179 0.5716 0.4661 0.022 Uiso 1 1 calc R U . . .
H97B H 0.1652 0.5798 0.5110 0.022 Uiso 1 1 calc R U . . .
C98 C 0.12944(9) 0.47833(10) 0.52090(9) 0.0294(5) Uani 1 1 d . . . . .
H98A H 0.1412 0.4697 0.5621 0.044 Uiso 1 1 calc R U . . .
H98B H 0.1495 0.4501 0.4965 0.044 Uiso 1 1 calc R U . . .
H98C H 0.0965 0.4600 0.5128 0.044 Uiso 1 1 calc R U . . .
C99 C 0.11898(6) 0.59544(10) 0.62563(8) 0.0186(3) Uani 1 1 d . . . . .
H99A H 0.1029 0.6262 0.6534 0.022 Uiso 1 1 calc R U . . .
H99B H 0.1080 0.5414 0.6279 0.022 Uiso 1 1 calc R U . . .
C100 C 0.17272(7) 0.59810(11) 0.64452(9) 0.0240(4) Uani 1 1 d . . . . .
H10A H 0.1887 0.5618 0.6210 0.036 Uiso 1 1 calc R U . . .
H10B H 0.1795 0.5839 0.6857 0.036 Uiso 1 1 calc R U . . .
H10C H 0.1845 0.6504 0.6390 0.036 Uiso 1 1 calc R U . . .
C101 C 0.03990(6) 0.59079(10) 0.53842(8) 0.0187(3) Uani 1 1 d . . . . .
H10W H 0.0286 0.5937 0.4962 0.022 Uiso 1 1 calc R U . . .
H10X H 0.0419 0.5355 0.5492 0.022 Uiso 1 1 calc R U . . .
C102 C 0.00275(7) 0.62873(12) 0.57112(11) 0.0308(5) Uani 1 1 d . . . . .
H10D H 0.0125 0.6241 0.6132 0.046 Uiso 1 1 calc R U . . .
H10E H -0.0281 0.6032 0.5608 0.046 Uiso 1 1 calc R U . . .
H10F H -0.0001 0.6834 0.5605 0.046 Uiso 1 1 calc R U . . .
C103 C 0.01412(6) 0.85606(10) 0.58352(8) 0.0159(3) Uani 1 1 d . . . . .
H10G H -0.0051 0.8094 0.5721 0.019 Uiso 1 1 calc R U . . .
H10H H 0.0017 0.8791 0.6177 0.019 Uiso 1 1 calc R U . . .
C104 C 0.00776(7) 0.91374(11) 0.53332(9) 0.0229(4) Uani 1 1 d . . . . .
H10I H 0.0271 0.9597 0.5440 0.034 Uiso 1 1 calc R U . . .
H10J H -0.0259 0.9285 0.5253 0.034 Uiso 1 1 calc R U . . .
H10K H 0.0179 0.8901 0.4985 0.034 Uiso 1 1 calc R U . . .
C105 C 0.10297(7) 0.92196(11) 0.62681(9) 0.0231(4) Uani 1 1 d . . . . .
H10L H 0.1362 0.9135 0.6451 0.028 Uiso 1 1 calc R U . . .
H10M H 0.1045 0.9532 0.5913 0.028 Uiso 1 1 calc R U . . .
C106 C 0.07698(8) 0.96923(13) 0.66897(11) 0.0364(6) Uani 1 1 d . . . . .
H10N H 0.0444 0.9801 0.6509 0.055 Uiso 1 1 calc R U . . .
H10O H 0.0940 1.0179 0.6779 0.055 Uiso 1 1 calc R U . . .
H10P H 0.0760 0.9399 0.7050 0.055 Uiso 1 1 calc R U . . .
C107 C 0.07244(6) 0.78284(12) 0.67610(7) 0.0217(4) Uani 1 1 d . . . . .
H10Q H 0.0524 0.8161 0.6979 0.026 Uiso 1 1 calc R U . . .
H10R H 0.0561 0.7324 0.6698 0.026 Uiso 1 1 calc R U . . .
C108 C 0.12052(7) 0.77033(14) 0.71339(8) 0.0279(4) Uani 1 1 d . . . . .
H10S H 0.1418 0.7417 0.6909 0.042 Uiso 1 1 calc R U . . .
H10T H 0.1158 0.7409 0.7483 0.042 Uiso 1 1 calc R U . . .
H10U H 0.1348 0.8204 0.7249 0.042 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Rh1 P3 2.3430(5) . ?
Rh1 P2 2.3718(6) . ?
Rh1 P1 2.3738(5) . ?
Rh1 Ge1 2.4502(5) . ?
Rh1 H1 1.56(3) . ?
Rh1 H2 1.51(3) . ?
Ge1 C7 1.9998(16) . ?
Ge1 C1 2.0024(15) . ?
Ge1 C13 2.0037(16) . ?
P1 C19 1.8421(17) . ?
P1 C21 1.8456(17) . ?
P1 C23 1.8463(17) . ?
P2 C27 1.8448(16) . ?
P2 C25 1.8486(17) . ?
P2 C29 1.8501(17) . ?
P3 C31 1.8493(17) . ?
P3 C33 1.8503(17) . ?
P3 C35 1.8560(18) . ?
C1 C2 1.397(2) . ?
C1 C6 1.404(2) . ?
C2 C3 1.395(2) . ?
C2 H2A 0.9500 . ?
C3 C4 1.385(2) . ?
C3 H3A 0.9500 . ?
C4 C5 1.390(2) . ?
C4 H4A 0.9500 . ?
C5 C6 1.392(2) . ?
C5 H5A 0.9500 . ?
C6 H6A 0.9500 . ?
C7 C12 1.397(2) . ?
C7 C8 1.401(2) . ?
C8 C9 1.388(2) . ?
C8 H8 0.9500 . ?
C9 C10 1.381(3) . ?
C9 H9 0.9500 . ?
C10 C11 1.385(3) . ?
C10 H10 0.9500 . ?
C11 C12 1.393(3) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C18 1.402(2) . ?
C13 C14 1.403(2) . ?
C14 C15 1.392(2) . ?
C14 H14 0.9500 . ?
C15 C16 1.386(3) . ?
C15 H15 0.9500 . ?
C16 C17 1.388(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.388(2) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C20 1.527(2) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.521(3) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C24 1.524(3) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.525(3) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 C28 1.527(2) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C30 1.528(2) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.525(2) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C34 1.526(2) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 C36 1.515(3) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
Rh2 P6 2.3334(5) . ?
Rh2 P4 2.3681(6) . ?
Rh2 P5 2.3778(6) . ?
Rh2 Ge2 2.4558(5) . ?
Rh2 H3 1.51(3) . ?
Rh2 H4 1.53(2) . ?
Ge2 C43 1.9955(15) . ?
Ge2 C37 1.9995(16) . ?
Ge2 C49 2.0100(16) . ?
P4 C55 1.8437(16) . ?
P4 C57 1.8488(17) . ?
P4 C59 1.8527(16) . ?
P5 C63 1.8419(18) . ?
P5 C65 1.8454(17) . ?
P5 C61 1.8512(18) . ?
P6 C67 1.8439(17) . ?
P6 C71 1.8453(18) . ?
P6 C69 1.8497(17) . ?
C37 C38 1.398(2) . ?
C37 C42 1.402(2) . ?
C38 C39 1.396(2) . ?
C38 H38 0.9500 . ?
C39 C40 1.383(3) . ?
C39 H39 0.9500 . ?
C40 C41 1.391(3) . ?
C40 H40 0.9500 . ?
C41 C42 1.394(2) . ?
C41 H41 0.9500 . ?
C42 H42 0.9500 . ?
C43 C48 1.395(2) . ?
C43 C44 1.404(2) . ?
C44 C45 1.390(2) . ?
C44 H44 0.9500 . ?
C45 C46 1.387(3) . ?
C45 H45 0.9500 . ?
C46 C47 1.391(3) . ?
C46 H46 0.9500 . ?
C47 C48 1.395(2) . ?
C47 H47 0.9500 . ?
C48 H48 0.9500 . ?
C49 C54 1.399(2) . ?
C49 C50 1.403(2) . ?
C50 C51 1.391(2) . ?
C50 H50 0.9500 . ?
C51 C52 1.388(3) . ?
C51 H51 0.9500 . ?
C52 C53 1.391(3) . ?
C52 H52 0.9500 . ?
C53 C54 1.391(2) . ?
C53 H53 0.9500 . ?
C54 H54 0.9500 . ?
C55 C56 1.527(2) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 C58 1.527(2) . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 C60 1.521(2) . ?
C59 H59A 0.9900 . ?
C59 H59B 0.9900 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 C62 1.529(2) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C63 C64 1.514(3) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
C65 C66 1.526(3) . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C66 H66C 0.9800 . ?
C67 C68 1.531(2) . ?
C67 H67A 0.9900 . ?
C67 H67B 0.9900 . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C69 C70 1.530(2) . ?
C69 H69A 0.9900 . ?
C69 H69B 0.9900 . ?
C70 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
C71 C72 1.528(3) . ?
C71 H71A 0.9900 . ?
C71 H71B 0.9900 . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
Rh3 P9 2.3262(5) . ?
Rh3 P8 2.3678(6) . ?
Rh3 P7 2.3757(6) . ?
Rh3 Ge3 2.4498(5) . ?
Rh3 H5 1.47(3) . ?
Rh3 H6 1.53(2) . ?
Ge3 C73 1.9999(15) . ?
Ge3 C79 2.0028(15) . ?
Ge3 C85 2.0050(16) . ?
P7 C91 1.8435(17) . ?
P7 C93 1.8513(16) . ?
P7 C95 1.8539(18) . ?
P8 C97 1.8423(18) . ?
P8 C101 1.8441(17) . ?
P8 C99 1.8482(17) . ?
P9 C103 1.8447(17) . ?
P9 C107 1.8455(19) . ?
P9 C105 1.8455(18) . ?
C73 C74 1.394(2) . ?
C73 C78 1.404(2) . ?
C74 C75 1.395(2) . ?
C74 H74 0.9500 . ?
C75 C76 1.386(3) . ?
C75 H75 0.9500 . ?
C76 C77 1.391(3) . ?
C76 H76 0.9500 . ?
C77 C78 1.392(2) . ?
C77 H77 0.9500 . ?
C78 H78 0.9500 . ?
C79 C80 1.399(2) . ?
C79 C84 1.402(2) . ?
C80 C81 1.401(2) . ?
C80 H80 0.9500 . ?
C81 C82 1.384(3) . ?
C81 H81 0.9500 . ?
C82 C83 1.392(2) . ?
C82 H82 0.9500 . ?
C83 C84 1.391(2) . ?
C83 H83 0.9500 . ?
C84 H84 0.9500 . ?
C85 C90 1.403(2) . ?
C85 C86 1.403(2) . ?
C86 C87 1.389(2) . ?
C86 H86 0.9500 . ?
C87 C88 1.388(2) . ?
C87 H87 0.9500 . ?
C88 C89 1.392(2) . ?
C88 H88 0.9500 . ?
C89 C90 1.391(2) . ?
C89 H89 0.9500 . ?
C90 H90 0.9500 . ?
C91 C92 1.527(3) . ?
C91 H91A 0.9900 . ?
C91 H91B 0.9900 . ?
C92 H92A 0.9800 . ?
C92 H92B 0.9800 . ?
C92 H92C 0.9800 . ?
C93 C94 1.504(3) . ?
C93 H93A 0.9900 . ?
C93 H93B 0.9900 . ?
C94 H94A 0.9800 . ?
C94 H94B 0.9800 . ?
C94 H94C 0.9800 . ?
C95 C96 1.517(3) . ?
C95 H95A 0.9900 . ?
C95 H95B 0.9900 . ?
C96 H96A 0.9800 . ?
C96 H96B 0.9800 . ?
C96 H96C 0.9800 . ?
C97 C98 1.526(2) . ?
C97 H97A 0.9900 . ?
C97 H97B 0.9900 . ?
C98 H98A 0.9800 . ?
C98 H98B 0.9800 . ?
C98 H98C 0.9800 . ?
C99 C100 1.527(2) . ?
C99 H99A 0.9900 . ?
C99 H99B 0.9900 . ?
C100 H10A 0.9800 . ?
C100 H10B 0.9800 . ?
C100 H10C 0.9800 . ?
C101 C102 1.521(3) . ?
C101 H10W 0.9900 . ?
C101 H10X 0.9900 . ?
C102 H10D 0.9800 . ?
C102 H10E 0.9800 . ?
C102 H10F 0.9800 . ?
C103 C104 1.526(2) . ?
C103 H10G 0.9900 . ?
C103 H10H 0.9900 . ?
C104 H10I 0.9800 . ?
C104 H10J 0.9800 . ?
C104 H10K 0.9800 . ?
C105 C106 1.532(3) . ?
C105 H10L 0.9900 . ?
C105 H10M 0.9900 . ?
C106 H10N 0.9800 . ?
C106 H10O 0.9800 . ?
C106 H10P 0.9800 . ?
C107 C108 1.530(2) . ?
C107 H10Q 0.9900 . ?
C107 H10R 0.9900 . ?
C108 H10S 0.9800 . ?
C108 H10T 0.9800 . ?
C108 H10U 0.9800 . ?

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
P3 Rh1 P2 104.459(16) . . ?
P3 Rh1 P1 104.013(18) . . ?
P2 Rh1 P1 104.394(15) . . ?
P3 Rh1 Ge1 144.633(13) . . ?
P2 Rh1 Ge1 97.932(13) . . ?
P1 Rh1 Ge1 96.338(13) . . ?
P3 Rh1 H1 80.1(10) . . ?
P2 Rh1 H1 80.7(10) . . ?
P1 Rh1 H1 172.2(10) . . ?
Ge1 Rh1 H1 76.9(10) . . ?
P3 Rh1 H2 81.6(9) . . ?
P2 Rh1 H2 168.0(9) . . ?
P1 Rh1 H2 83.8(9) . . ?
Ge1 Rh1 H2 72.1(9) . . ?
H1 Rh1 H2 90.3(14) . . ?
C7 Ge1 C1 99.58(6) . . ?
C7 Ge1 C13 102.28(6) . . ?
C1 Ge1 C13 99.93(6) . . ?
C7 Ge1 Rh1 116.25(5) . . ?
C1 Ge1 Rh1 114.22(5) . . ?
C13 Ge1 Rh1 121.24(5) . . ?
C19 P1 C21 99.74(8) . . ?
C19 P1 C23 101.93(8) . . ?
C21 P1 C23 98.45(8) . . ?
C19 P1 Rh1 115.13(6) . . ?
C21 P1 Rh1 115.97(6) . . ?
C23 P1 Rh1 122.06(6) . . ?
C27 P2 C25 96.81(8) . . ?
C27 P2 C29 101.69(8) . . ?
C25 P2 C29 99.25(8) . . ?
C27 P2 Rh1 119.16(6) . . ?
C25 P2 Rh1 115.99(6) . . ?
C29 P2 Rh1 119.80(6) . . ?
C31 P3 C33 100.30(8) . . ?
C31 P3 C35 104.35(9) . . ?
C33 P3 C35 100.79(8) . . ?
C31 P3 Rh1 108.42(6) . . ?
C33 P3 Rh1 120.19(6) . . ?
C35 P3 Rh1 120.11(6) . . ?
C2 C1 C6 116.86(14) . . ?
C2 C1 Ge1 123.76(12) . . ?
C6 C1 Ge1 119.22(11) . . ?
C3 C2 C1 121.62(15) . . ?
C3 C2 H2A 119.2 . . ?
C1 C2 H2A 119.2 . . ?
C4 C3 C2 120.41(16) . . ?
C4 C3 H3A 119.8 . . ?
C2 C3 H3A 119.8 . . ?
C3 C4 C5 119.16(15) . . ?
C3 C4 H4A 120.4 . . ?
C5 C4 H4A 120.4 . . ?
C4 C5 C6 120.11(16) . . ?
C4 C5 H5A 119.9 . . ?
C6 C5 H5A 119.9 . . ?
C5 C6 C1 121.79(15) . . ?
C5 C6 H6A 119.1 . . ?
C1 C6 H6A 119.1 . . ?
C12 C7 C8 116.40(15) . . ?
C12 C7 Ge1 124.43(13) . . ?
C8 C7 Ge1 119.14(12) . . ?
C9 C8 C7 122.01(16) . . ?
C9 C8 H8 119.0 . . ?
C7 C8 H8 119.0 . . ?
C10 C9 C8 120.18(17) . . ?
C10 C9 H9 119.9 . . ?
C8 C9 H9 119.9 . . ?
C9 C10 C11 119.42(17) . . ?
C9 C10 H10 120.3 . . ?
C11 C10 H10 120.3 . . ?
C10 C11 C12 119.95(18) . . ?
C10 C11 H11 120.0 . . ?
C12 C11 H11 120.0 . . ?
C11 C12 C7 121.99(18) . . ?
C11 C12 H12 119.0 . . ?
C7 C12 H12 119.0 . . ?
C18 C13 C14 116.25(15) . . ?
C18 C13 Ge1 121.55(12) . . ?
C14 C13 Ge1 122.14(12) . . ?
C15 C14 C13 122.09(15) . . ?
C15 C14 H14 119.0 . . ?
C13 C14 H14 119.0 . . ?
C16 C15 C14 120.22(17) . . ?
C16 C15 H15 119.9 . . ?
C14 C15 H15 119.9 . . ?
C15 C16 C17 118.95(17) . . ?
C15 C16 H16 120.5 . . ?
C17 C16 H16 120.5 . . ?
C16 C17 C18 120.51(17) . . ?
C16 C17 H17 119.7 . . ?
C18 C17 H17 119.7 . . ?
C17 C18 C13 121.96(16) . . ?
C17 C18 H18 119.0 . . ?
C13 C18 H18 119.0 . . ?
C20 C19 P1 119.50(13) . . ?
C20 C19 H19A 107.4 . . ?
P1 C19 H19A 107.4 . . ?
C20 C19 H19B 107.4 . . ?
P1 C19 H19B 107.4 . . ?
H19A C19 H19B 107.0 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 P1 115.12(12) . . ?
C22 C21 H21A 108.5 . . ?
P1 C21 H21A 108.5 . . ?
C22 C21 H21B 108.5 . . ?
P1 C21 H21B 108.5 . . ?
H21A C21 H21B 107.5 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C24 C23 P1 115.56(13) . . ?
C24 C23 H23A 108.4 . . ?
P1 C23 H23A 108.4 . . ?
C24 C23 H23B 108.4 . . ?
P1 C23 H23B 108.4 . . ?
H23A C23 H23B 107.5 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 P2 115.55(13) . . ?
C26 C25 H25A 108.4 . . ?
P2 C25 H25A 108.4 . . ?
C26 C25 H25B 108.4 . . ?
P2 C25 H25B 108.4 . . ?
H25A C25 H25B 107.5 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C28 C27 P2 116.43(12) . . ?
C28 C27 H27A 108.2 . . ?
P2 C27 H27A 108.2 . . ?
C28 C27 H27B 108.2 . . ?
P2 C27 H27B 108.2 . . ?
H27A C27 H27B 107.3 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C30 C29 P2 117.38(12) . . ?
C30 C29 H29A 108.0 . . ?
P2 C29 H29A 108.0 . . ?
C30 C29 H29B 108.0 . . ?
P2 C29 H29B 108.0 . . ?
H29A C29 H29B 107.2 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C32 C31 P3 119.57(13) . . ?
C32 C31 H31A 107.4 . . ?
P3 C31 H31A 107.4 . . ?
C32 C31 H31B 107.4 . . ?
P3 C31 H31B 107.4 . . ?
H31A C31 H31B 107.0 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C34 C33 P3 113.56(12) . . ?
C34 C33 H33A 108.9 . . ?
P3 C33 H33A 108.9 . . ?
C34 C33 H33B 108.9 . . ?
P3 C33 H33B 108.9 . . ?
H33A C33 H33B 107.7 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C36 C35 P3 120.65(14) . . ?
C36 C35 H35A 107.2 . . ?
P3 C35 H35A 107.2 . . ?
C36 C35 H35B 107.2 . . ?
P3 C35 H35B 107.2 . . ?
H35A C35 H35B 106.8 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
P6 Rh2 P4 104.420(16) . . ?
P6 Rh2 P5 104.369(19) . . ?
P4 Rh2 P5 103.571(15) . . ?
P6 Rh2 Ge2 145.995(13) . . ?
P4 Rh2 Ge2 95.428(13) . . ?
P5 Rh2 Ge2 97.264(14) . . ?
P6 Rh2 H3 77.6(11) . . ?
P4 Rh2 H3 85.6(10) . . ?
P5 Rh2 H3 169.6(11) . . ?
Ge2 Rh2 H3 76.7(11) . . ?
P6 Rh2 H4 82.3(9) . . ?
P4 Rh2 H4 168.1(9) . . ?
P5 Rh2 H4 83.8(9) . . ?
Ge2 Rh2 H4 74.2(9) . . ?
H3 Rh2 H4 86.4(14) . . ?
C43 Ge2 C37 99.01(6) . . ?
C43 Ge2 C49 103.34(6) . . ?
C37 Ge2 C49 98.70(6) . . ?
C43 Ge2 Rh2 115.16(5) . . ?
C37 Ge2 Rh2 114.81(5) . . ?
C49 Ge2 Rh2 122.23(5) . . ?
C55 P4 C57 100.95(8) . . ?
C55 P4 C59 102.73(8) . . ?
C57 P4 C59 101.87(8) . . ?
C55 P4 Rh2 113.03(6) . . ?
C57 P4 Rh2 119.60(6) . . ?
C59 P4 Rh2 116.23(6) . . ?
C63 P5 C65 99.47(8) . . ?
C63 P5 C61 98.21(9) . . ?
C65 P5 C61 102.12(9) . . ?
C63 P5 Rh2 116.32(6) . . ?
C65 P5 Rh2 120.80(6) . . ?
C61 P5 Rh2 116.23(6) . . ?
C67 P6 C71 99.69(8) . . ?
C67 P6 C69 99.88(8) . . ?
C71 P6 C69 101.71(8) . . ?
C67 P6 Rh2 111.73(6) . . ?
C71 P6 Rh2 124.44(6) . . ?
C69 P6 Rh2 115.71(6) . . ?
C38 C37 C42 116.86(15) . . ?
C38 C37 Ge2 122.50(12) . . ?
C42 C37 Ge2 120.54(12) . . ?
C39 C38 C37 121.69(16) . . ?
C39 C38 H38 119.2 . . ?
C37 C38 H38 119.2 . . ?
C40 C39 C38 120.40(17) . . ?
C40 C39 H39 119.8 . . ?
C38 C39 H39 119.8 . . ?
C39 C40 C41 119.15(16) . . ?
C39 C40 H40 120.4 . . ?
C41 C40 H40 120.4 . . ?
C40 C41 C42 120.20(17) . . ?
C40 C41 H41 119.9 . . ?
C42 C41 H41 119.9 . . ?
C41 C42 C37 121.71(16) . . ?
C41 C42 H42 119.1 . . ?
C37 C42 H42 119.1 . . ?
C48 C43 C44 116.93(14) . . ?
C48 C43 Ge2 124.26(12) . . ?
C44 C43 Ge2 118.77(11) . . ?
C45 C44 C43 121.78(16) . . ?
C45 C44 H44 119.1 . . ?
C43 C44 H44 119.1 . . ?
C46 C45 C44 120.15(16) . . ?
C46 C45 H45 119.9 . . ?
C44 C45 H45 119.9 . . ?
C45 C46 C47 119.29(16) . . ?
C45 C46 H46 120.4 . . ?
C47 C46 H46 120.4 . . ?
C46 C47 C48 120.09(17) . . ?
C46 C47 H47 120.0 . . ?
C48 C47 H47 120.0 . . ?
C43 C48 C47 121.71(16) . . ?
C43 C48 H48 119.1 . . ?
C47 C48 H48 119.1 . . ?
C54 C49 C50 116.02(15) . . ?
C54 C49 Ge2 120.47(12) . . ?
C50 C49 Ge2 123.49(12) . . ?
C51 C50 C49 122.26(16) . . ?
C51 C50 H50 118.9 . . ?
C49 C50 H50 118.9 . . ?
C52 C51 C50 120.27(16) . . ?
C52 C51 H51 119.9 . . ?
C50 C51 H51 119.9 . . ?
C51 C52 C53 118.84(16) . . ?
C51 C52 H52 120.6 . . ?
C53 C52 H52 120.6 . . ?
C54 C53 C52 120.25(16) . . ?
C54 C53 H53 119.9 . . ?
C52 C53 H53 119.9 . . ?
C53 C54 C49 122.35(16) . . ?
C53 C54 H54 118.8 . . ?
C49 C54 H54 118.8 . . ?
C56 C55 P4 114.46(12) . . ?
C56 C55 H55A 108.6 . . ?
P4 C55 H55A 108.6 . . ?
C56 C55 H55B 108.6 . . ?
P4 C55 H55B 108.6 . . ?
H55A C55 H55B 107.6 . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C58 C57 P4 118.53(13) . . ?
C58 C57 H57A 107.7 . . ?
P4 C57 H57A 107.7 . . ?
C58 C57 H57B 107.7 . . ?
P4 C57 H57B 107.7 . . ?
H57A C57 H57B 107.1 . . ?
C57 C58 H58A 109.5 . . ?
C57 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C57 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C60 C59 P4 119.69(12) . . ?
C60 C59 H59A 107.4 . . ?
P4 C59 H59A 107.4 . . ?
C60 C59 H59B 107.4 . . ?
P4 C59 H59B 107.4 . . ?
H59A C59 H59B 106.9 . . ?
C59 C60 H60A 109.5 . . ?
C59 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C59 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C62 C61 P5 119.42(14) . . ?
C62 C61 H61A 107.5 . . ?
P5 C61 H61A 107.5 . . ?
C62 C61 H61B 107.5 . . ?
P5 C61 H61B 107.5 . . ?
H61A C61 H61B 107.0 . . ?
C61 C62 H62A 109.5 . . ?
C61 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
C61 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C64 C63 P5 115.29(13) . . ?
C64 C63 H63A 108.5 . . ?
P5 C63 H63A 108.5 . . ?
C64 C63 H63B 108.5 . . ?
P5 C63 H63B 108.5 . . ?
H63A C63 H63B 107.5 . . ?
C63 C64 H64A 109.5 . . ?
C63 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
C63 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C66 C65 P5 114.93(13) . . ?
C66 C65 H65A 108.5 . . ?
P5 C65 H65A 108.5 . . ?
C66 C65 H65B 108.5 . . ?
P5 C65 H65B 108.5 . . ?
H65A C65 H65B 107.5 . . ?
C65 C66 H66A 109.5 . . ?
C65 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
C65 C66 H66C 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C68 C67 P6 114.57(12) . . ?
C68 C67 H67A 108.6 . . ?
P6 C67 H67A 108.6 . . ?
C68 C67 H67B 108.6 . . ?
P6 C67 H67B 108.6 . . ?
H67A C67 H67B 107.6 . . ?
C67 C68 H68A 109.5 . . ?
C67 C68 H68B 109.5 . . ?
H68A C68 H68B 109.5 . . ?
C67 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
C70 C69 P6 117.78(13) . . ?
C70 C69 H69A 107.9 . . ?
P6 C69 H69A 107.9 . . ?
C70 C69 H69B 107.9 . . ?
P6 C69 H69B 107.9 . . ?
H69A C69 H69B 107.2 . . ?
C69 C70 H70A 109.5 . . ?
C69 C70 H70B 109.5 . . ?
H70A C70 H70B 109.5 . . ?
C69 C70 H70C 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
C72 C71 P6 114.10(13) . . ?
C72 C71 H71A 108.7 . . ?
P6 C71 H71A 108.7 . . ?
C72 C71 H71B 108.7 . . ?
P6 C71 H71B 108.7 . . ?
H71A C71 H71B 107.6 . . ?
C71 C72 H72A 109.5 . . ?
C71 C72 H72B 109.5 . . ?
H72A C72 H72B 109.5 . . ?
C71 C72 H72C 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
P9 Rh3 P8 103.697(18) . . ?
P9 Rh3 P7 104.513(17) . . ?
P8 Rh3 P7 103.254(15) . . ?
P9 Rh3 Ge3 145.095(14) . . ?
P8 Rh3 Ge3 96.642(12) . . ?
P7 Rh3 Ge3 97.902(13) . . ?
P9 Rh3 H5 78.4(10) . . ?
P8 Rh3 H5 171.5(11) . . ?
P7 Rh3 H5 84.0(10) . . ?
Ge3 Rh3 H5 77.8(11) . . ?
P9 Rh3 H6 81.5(9) . . ?
P8 Rh3 H6 82.3(9) . . ?
P7 Rh3 H6 170.3(9) . . ?
Ge3 Rh3 H6 73.4(9) . . ?
H5 Rh3 H6 89.9(13) . . ?
C73 Ge3 C79 98.91(6) . . ?
C73 Ge3 C85 98.05(6) . . ?
C79 Ge3 C85 103.97(6) . . ?
C73 Ge3 Rh3 115.21(5) . . ?
C79 Ge3 Rh3 115.64(4) . . ?
C85 Ge3 Rh3 121.48(4) . . ?
C91 P7 C93 102.34(8) . . ?
C91 P7 C95 101.27(9) . . ?
C93 P7 C95 102.43(8) . . ?
C91 P7 Rh3 113.49(6) . . ?
C93 P7 Rh3 116.35(6) . . ?
C95 P7 Rh3 118.61(6) . . ?
C97 P8 C101 99.07(8) . . ?
C97 P8 C99 101.25(9) . . ?
C101 P8 C99 99.36(8) . . ?
C97 P8 Rh3 116.01(6) . . ?
C101 P8 Rh3 116.19(6) . . ?
C99 P8 Rh3 121.31(6) . . ?
C103 P9 C107 100.21(8) . . ?
C103 P9 C105 99.88(8) . . ?
C107 P9 C105 101.02(9) . . ?
C103 P9 Rh3 111.25(6) . . ?
C107 P9 Rh3 123.85(7) . . ?
C105 P9 Rh3 116.95(6) . . ?
C74 C73 C78 117.12(15) . . ?
C74 C73 Ge3 122.99(12) . . ?
C78 C73 Ge3 119.53(12) . . ?
C73 C74 C75 121.58(16) . . ?
C73 C74 H74 119.2 . . ?
C75 C74 H74 119.2 . . ?
C76 C75 C74 120.24(17) . . ?
C76 C75 H75 119.9 . . ?
C74 C75 H75 119.9 . . ?
C75 C76 C77 119.44(16) . . ?
C75 C76 H76 120.3 . . ?
C77 C76 H76 120.3 . . ?
C76 C77 C78 119.88(17) . . ?
C76 C77 H77 120.1 . . ?
C78 C77 H77 120.1 . . ?
C77 C78 C73 121.73(16) . . ?
C77 C78 H78 119.1 . . ?
C73 C78 H78 119.1 . . ?
C80 C79 C84 116.80(15) . . ?
C80 C79 Ge3 124.72(12) . . ?
C84 C79 Ge3 118.47(11) . . ?
C79 C80 C81 121.50(16) . . ?
C79 C80 H80 119.2 . . ?
C81 C80 H80 119.2 . . ?
C82 C81 C80 120.31(16) . . ?
C82 C81 H81 119.8 . . ?
C80 C81 H81 119.8 . . ?
C81 C82 C83 119.33(16) . . ?
C81 C82 H82 120.3 . . ?
C83 C82 H82 120.3 . . ?
C84 C83 C82 119.91(16) . . ?
C84 C83 H83 120.0 . . ?
C82 C83 H83 120.0 . . ?
C83 C84 C79 122.11(15) . . ?
C83 C84 H84 118.9 . . ?
C79 C84 H84 118.9 . . ?
C90 C85 C86 116.54(14) . . ?
C90 C85 Ge3 120.04(12) . . ?
C86 C85 Ge3 123.40(12) . . ?
C87 C86 C85 121.73(15) . . ?
C87 C86 H86 119.1 . . ?
C85 C86 H86 119.1 . . ?
C88 C87 C86 120.60(16) . . ?
C88 C87 H87 119.7 . . ?
C86 C87 H87 119.7 . . ?
C87 C88 C89 118.95(16) . . ?
C87 C88 H88 120.5 . . ?
C89 C88 H88 120.5 . . ?
C90 C89 C88 120.11(16) . . ?
C90 C89 H89 119.9 . . ?
C88 C89 H89 119.9 . . ?
C89 C90 C85 122.05(15) . . ?
C89 C90 H90 119.0 . . ?
C85 C90 H90 119.0 . . ?
C92 C91 P7 114.85(13) . . ?
C92 C91 H91A 108.6 . . ?
P7 C91 H91A 108.6 . . ?
C92 C91 H91B 108.6 . . ?
P7 C91 H91B 108.6 . . ?
H91A C91 H91B 107.5 . . ?
C91 C92 H92A 109.5 . . ?
C91 C92 H92B 109.5 . . ?
H92A C92 H92B 109.5 . . ?
C91 C92 H92C 109.5 . . ?
H92A C92 H92C 109.5 . . ?
H92B C92 H92C 109.5 . . ?
C94 C93 P7 120.76(13) . . ?
C94 C93 H93A 107.1 . . ?
P7 C93 H93A 107.1 . . ?
C94 C93 H93B 107.1 . . ?
P7 C93 H93B 107.1 . . ?
H93A C93 H93B 106.8 . . ?
C93 C94 H94A 109.5 . . ?
C93 C94 H94B 109.5 . . ?
H94A C94 H94B 109.5 . . ?
C93 C94 H94C 109.5 . . ?
H94A C94 H94C 109.5 . . ?
H94B C94 H94C 109.5 . . ?
C96 C95 P7 119.43(14) . . ?
C96 C95 H95A 107.5 . . ?
P7 C95 H95A 107.5 . . ?
C96 C95 H95B 107.5 . . ?
P7 C95 H95B 107.5 . . ?
H95A C95 H95B 107.0 . . ?
C95 C96 H96A 109.5 . . ?
C95 C96 H96B 109.5 . . ?
H96A C96 H96B 109.5 . . ?
C95 C96 H96C 109.5 . . ?
H96A C96 H96C 109.5 . . ?
H96B C96 H96C 109.5 . . ?
C98 C97 P8 118.72(14) . . ?
C98 C97 H97A 107.6 . . ?
P8 C97 H97A 107.6 . . ?
C98 C97 H97B 107.6 . . ?
P8 C97 H97B 107.6 . . ?
H97A C97 H97B 107.1 . . ?
C97 C98 H98A 109.5 . . ?
C97 C98 H98B 109.5 . . ?
H98A C98 H98B 109.5 . . ?
C97 C98 H98C 109.5 . . ?
H98A C98 H98C 109.5 . . ?
H98B C98 H98C 109.5 . . ?
C100 C99 P8 114.20(12) . . ?
C100 C99 H99A 108.7 . . ?
P8 C99 H99A 108.7 . . ?
C100 C99 H99B 108.7 . . ?
P8 C99 H99B 108.7 . . ?
H99A C99 H99B 107.6 . . ?
C99 C100 H10A 109.5 . . ?
C99 C100 H10B 109.5 . . ?
H10A C100 H10B 109.5 . . ?
C99 C100 H10C 109.5 . . ?
H10A C100 H10C 109.5 . . ?
H10B C100 H10C 109.5 . . ?
C102 C101 P8 115.96(13) . . ?
C102 C101 H10W 108.3 . . ?
P8 C101 H10W 108.3 . . ?
C102 C101 H10X 108.3 . . ?
P8 C101 H10X 108.3 . . ?
H10W C101 H10X 107.4 . . ?
C101 C102 H10D 109.5 . . ?
C101 C102 H10E 109.5 . . ?
H10D C102 H10E 109.5 . . ?
C101 C102 H10F 109.5 . . ?
H10D C102 H10F 109.5 . . ?
H10E C102 H10F 109.5 . . ?
C104 C103 P9 113.14(12) . . ?
C104 C103 H10G 109.0 . . ?
P9 C103 H10G 109.0 . . ?
C104 C103 H10H 109.0 . . ?
P9 C103 H10H 109.0 . . ?
H10G C103 H10H 107.8 . . ?
C103 C104 H10I 109.5 . . ?
C103 C104 H10J 109.5 . . ?
H10I C104 H10J 109.5 . . ?
C103 C104 H10K 109.5 . . ?
H10I C104 H10K 109.5 . . ?
H10J C104 H10K 109.5 . . ?
C106 C105 P9 116.44(14) . . ?
C106 C105 H10L 108.2 . . ?
P9 C105 H10L 108.2 . . ?
C106 C105 H10M 108.2 . . ?
P9 C105 H10M 108.2 . . ?
H10L C105 H10M 107.3 . . ?
C105 C106 H10N 109.5 . . ?
C105 C106 H10O 109.5 . . ?
H10N C106 H10O 109.5 . . ?
C105 C106 H10P 109.5 . . ?
H10N C106 H10P 109.5 . . ?
H10O C106 H10P 109.5 . . ?
C108 C107 P9 114.16(13) . . ?
C108 C107 H10Q 108.7 . . ?
P9 C107 H10Q 108.7 . . ?
C108 C107 H10R 108.7 . . ?
P9 C107 H10R 108.7 . . ?
H10Q C107 H10R 107.6 . . ?
C107 C108 H10S 109.5 . . ?
C107 C108 H10T 109.5 . . ?
H10S C108 H10T 109.5 . . ?
C107 C108 H10U 109.5 . . ?
H10S C108 H10U 109.5 . . ?
H10T C108 H10U 109.5 . . ?

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
C6 C1 C2 C3 -2.2(3) . . . . ?
Ge1 C1 C2 C3 173.07(13) . . . . ?
C1 C2 C3 C4 0.4(3) . . . . ?
C2 C3 C4 C5 1.3(3) . . . . ?
C3 C4 C5 C6 -1.1(3) . . . . ?
C4 C5 C6 C1 -0.7(3) . . . . ?
C2 C1 C6 C5 2.4(3) . . . . ?
Ge1 C1 C6 C5 -173.13(14) . . . . ?
C12 C7 C8 C9 -1.1(3) . . . . ?
Ge1 C7 C8 C9 -179.18(13) . . . . ?
C7 C8 C9 C10 1.2(3) . . . . ?
C8 C9 C10 C11 0.5(3) . . . . ?
C9 C10 C11 C12 -2.2(3) . . . . ?
C10 C11 C12 C7 2.4(3) . . . . ?
C8 C7 C12 C11 -0.8(3) . . . . ?
Ge1 C7 C12 C11 177.25(16) . . . . ?
C18 C13 C14 C15 -0.1(2) . . . . ?
Ge1 C13 C14 C15 -177.17(14) . . . . ?
C13 C14 C15 C16 1.4(3) . . . . ?
C14 C15 C16 C17 -1.5(3) . . . . ?
C15 C16 C17 C18 0.3(3) . . . . ?
C16 C17 C18 C13 1.1(3) . . . . ?
C14 C13 C18 C17 -1.2(3) . . . . ?
Ge1 C13 C18 C17 175.91(15) . . . . ?
C21 P1 C19 C20 -52.67(17) . . . . ?
C23 P1 C19 C20 48.20(17) . . . . ?
Rh1 P1 C19 C20 -177.51(14) . . . . ?
C19 P1 C21 C22 175.24(14) . . . . ?
C23 P1 C21 C22 71.50(15) . . . . ?
Rh1 P1 C21 C22 -60.51(15) . . . . ?
C19 P1 C23 C24 69.20(15) . . . . ?
C21 P1 C23 C24 171.10(14) . . . . ?
Rh1 P1 C23 C24 -60.92(16) . . . . ?
C27 P2 C25 C26 -71.29(15) . . . . ?
C29 P2 C25 C26 -174.36(14) . . . . ?
Rh1 P2 C25 C26 55.88(15) . . . . ?
C25 P2 C27 C28 -165.35(14) . . . . ?
C29 P2 C27 C28 -64.39(15) . . . . ?
Rh1 P2 C27 C28 69.76(14) . . . . ?
C27 P2 C29 C30 -42.42(16) . . . . ?
C25 P2 C29 C30 56.58(15) . . . . ?
Rh1 P2 C29 C30 -176.20(12) . . . . ?
C33 P3 C31 C32 -39.82(16) . . . . ?
C35 P3 C31 C32 64.24(16) . . . . ?
Rh1 P3 C31 C32 -166.64(13) . . . . ?
C31 P3 C33 C34 -63.20(14) . . . . ?
C35 P3 C33 C34 -170.12(14) . . . . ?
Rh1 P3 C33 C34 55.31(14) . . . . ?
C31 P3 C35 C36 -79.5(2) . . . . ?
C33 P3 C35 C36 24.2(2) . . . . ?
Rh1 P3 C35 C36 158.84(17) . . . . ?
C42 C37 C38 C39 0.7(3) . . . . ?
Ge2 C37 C38 C39 -175.59(14) . . . . ?
C37 C38 C39 C40 -0.8(3) . . . . ?
C38 C39 C40 C41 0.5(3) . . . . ?
C39 C40 C41 C42 -0.3(3) . . . . ?
C40 C41 C42 C37 0.3(3) . . . . ?
C38 C37 C42 C41 -0.5(2) . . . . ?
Ge2 C37 C42 C41 175.91(13) . . . . ?
C48 C43 C44 C45 -1.3(3) . . . . ?
Ge2 C43 C44 C45 -179.00(14) . . . . ?
C43 C44 C45 C46 -0.6(3) . . . . ?
C44 C45 C46 C47 1.6(3) . . . . ?
C45 C46 C47 C48 -0.7(3) . . . . ?
C44 C43 C48 C47 2.2(3) . . . . ?
Ge2 C43 C48 C47 179.76(14) . . . . ?
C46 C47 C48 C43 -1.2(3) . . . . ?
C54 C49 C50 C51 -0.4(2) . . . . ?
Ge2 C49 C50 C51 178.17(13) . . . . ?
C49 C50 C51 C52 -0.1(3) . . . . ?
C50 C51 C52 C53 0.1(3) . . . . ?
C51 C52 C53 C54 0.3(3) . . . . ?
C52 C53 C54 C49 -0.9(3) . . . . ?
C50 C49 C54 C53 0.9(2) . . . . ?
Ge2 C49 C54 C53 -177.75(14) . . . . ?
C57 P4 C55 C56 59.27(14) . . . . ?
C59 P4 C55 C56 164.26(13) . . . . ?
Rh2 P4 C55 C56 -69.70(13) . . . . ?
C55 P4 C57 C58 47.38(15) . . . . ?
C59 P4 C57 C58 -58.30(15) . . . . ?
Rh2 P4 C57 C58 172.00(12) . . . . ?
C55 P4 C59 C60 -18.92(17) . . . . ?
C57 P4 C59 C60 85.35(16) . . . . ?
Rh2 P4 C59 C60 -142.87(14) . . . . ?
C63 P5 C61 C62 53.79(17) . . . . ?
C65 P5 C61 C62 -47.81(17) . . . . ?
Rh2 P5 C61 C62 178.58(13) . . . . ?
C65 P5 C63 C64 -66.37(16) . . . . ?
C61 P5 C63 C64 -170.21(15) . . . . ?
Rh2 P5 C63 C64 65.06(15) . . . . ?
C63 P5 C65 C66 -162.60(14) . . . . ?
C61 P5 C65 C66 -62.00(15) . . . . ?
Rh2 P5 C65 C66 68.87(15) . . . . ?
C71 P6 C67 C68 -166.35(13) . . . . ?
C69 P6 C67 C68 -62.54(14) . . . . ?
Rh2 P6 C67 C68 60.37(14) . . . . ?
C67 P6 C69 C70 -52.12(17) . . . . ?
C71 P6 C69 C70 50.03(17) . . . . ?
Rh2 P6 C69 C70 -172.18(13) . . . . ?
C67 P6 C71 C72 165.37(14) . . . . ?
C69 P6 C71 C72 63.06(16) . . . . ?
Rh2 P6 C71 C72 -69.71(16) . . . . ?
C78 C73 C74 C75 -1.5(3) . . . . ?
Ge3 C73 C74 C75 171.45(15) . . . . ?
C73 C74 C75 C76 0.7(3) . . . . ?
C74 C75 C76 C77 0.6(3) . . . . ?
C75 C76 C77 C78 -1.1(3) . . . . ?
C76 C77 C78 C73 0.2(3) . . . . ?
C74 C73 C78 C77 1.1(3) . . . . ?
Ge3 C73 C78 C77 -172.19(14) . . . . ?
C84 C79 C80 C81 -1.9(2) . . . . ?
Ge3 C79 C80 C81 179.35(13) . . . . ?
C79 C80 C81 C82 1.0(3) . . . . ?
C80 C81 C82 C83 0.4(3) . . . . ?
C81 C82 C83 C84 -0.8(3) . . . . ?
C82 C83 C84 C79 -0.2(3) . . . . ?
C80 C79 C84 C83 1.5(2) . . . . ?
Ge3 C79 C84 C83 -179.66(13) . . . . ?
C90 C85 C86 C87 -1.2(2) . . . . ?
Ge3 C85 C86 C87 179.89(13) . . . . ?
C85 C86 C87 C88 1.0(3) . . . . ?
C86 C87 C88 C89 -0.2(3) . . . . ?
C87 C88 C89 C90 -0.3(3) . . . . ?
C88 C89 C90 C85 0.1(3) . . . . ?
C86 C85 C90 C89 0.7(2) . . . . ?
Ge3 C85 C90 C89 179.63(13) . . . . ?
C93 P7 C91 C92 -166.29(14) . . . . ?
C95 P7 C91 C92 -60.72(16) . . . . ?
Rh3 P7 C91 C92 67.52(15) . . . . ?
C91 P7 C93 C94 24.8(2) . . . . ?
C95 P7 C93 C94 -79.9(2) . . . . ?
Rh3 P7 C93 C94 149.12(18) . . . . ?
C91 P7 C95 C96 -50.17(18) . . . . ?
C93 P7 C95 C96 55.32(17) . . . . ?
Rh3 P7 C95 C96 -175.04(14) . . . . ?
C101 P8 C97 C98 -56.56(17) . . . . ?
C99 P8 C97 C98 44.96(17) . . . . ?
Rh3 P8 C97 C98 178.33(13) . . . . ?
C97 P8 C99 C100 61.55(15) . . . . ?
C101 P8 C99 C100 162.83(14) . . . . ?
Rh3 P8 C99 C100 -68.57(15) . . . . ?
C97 P8 C101 C102 176.46(15) . . . . ?
C99 P8 C101 C102 73.36(16) . . . . ?
Rh3 P8 C101 C102 -58.56(16) . . . . ?
C107 P9 C103 C104 164.66(14) . . . . ?
C105 P9 C103 C104 61.45(15) . . . . ?
Rh3 P9 C103 C104 -62.70(14) . . . . ?
C103 P9 C105 C106 49.27(19) . . . . ?
C107 P9 C105 C106 -53.28(19) . . . . ?
Rh3 P9 C105 C106 169.35(15) . . . . ?
C103 P9 C107 C108 -165.34(15) . . . . ?
C105 P9 C107 C108 -63.06(17) . . . . ?
Rh3 P9 C107 C108 70.30(17) . . . . ?

_refine_diff_density_max         2.609
_refine_diff_density_min         -1.255
_refine_diff_density_rms         0.164

_shelxl_version_number           2013-4

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_complex3
_database_code_depnum_ccdc_archive 'CCDC 1438403'
_audit_update_record             
;
2015-11-23 deposited with the CCDC.
2016-02-02 downloaded from the CCDC.
;
_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C36 H60 Ge P3 Rh'
_chemical_formula_sum            'C36 H60 Ge P3 Rh'
_chemical_formula_weight         761.25

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'
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'


_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,1/2+y,1/2-z
-x,-y,-z
x,1/2-y,1/2+z

_cell_length_a                   11.5439(2)
_cell_length_b                   22.2499(5)
_cell_length_c                   18.1297(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 127.1720(10)
_cell_angle_gamma                90.00
_cell_volume                     3710.51(12)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    62141
_cell_measurement_theta_min      2.21
_cell_measurement_theta_max      28.34


_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.353
_exptl_crystal_size_min          0.300
_exptl_crystal_density_diffrn    1.363
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1592
_exptl_absorpt_coefficient_mu    1.41
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.6313
_exptl_absorpt_correction_T_max  0.7387
_exptl_absorpt_process_details   'STOE X-RED'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-1 3 8 0.1530
3 -2 -3 0.1830
-4 0 -3 0.0950
2 6 -1 0.1300
0 -2 1 0.1400
1 -1 -2 0.1870
-4 3 5 0.2000
-1 -4 1 0.1530
0 7 -3 0.1810

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'STOE IPDS 2T'
_diffrn_measurement_method       'rotation method'
_diffrn_detector_area_resol_mean 6.67
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            66019
_diffrn_reflns_av_R_equivalents  0.0653
_diffrn_reflns_av_sigmaI/netI    0.0334
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.21
_diffrn_reflns_theta_max         28.23
_reflns_number_total             9140
_reflns_number_gt                7788
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'STOE X-AREA'
_computing_cell_refinement       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_structure_solution    SIR-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0242P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         9140
_refine_ls_number_parameters     398
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0298
_refine_ls_R_factor_gt           0.0214
_refine_ls_wR_factor_ref         0.0464
_refine_ls_wR_factor_gt          0.0449
_refine_ls_goodness_of_fit_ref   0.985
_refine_ls_restrained_S_all      0.985
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
C1 C 0.81672(16) 0.21687(6) 0.30186(10) 0.0118(3) Uani 1 1 d . A .
C2 C 0.72701(17) 0.26466(6) 0.28796(11) 0.0160(3) Uani 1 1 d . . .
H2 H 0.6448 0.2570 0.2847 0.019 Uiso 1 1 calc R . .
C3 C 0.75775(18) 0.32360(7) 0.27884(11) 0.0207(3) Uani 1 1 d . . .
H3 H 0.6975 0.3548 0.2709 0.025 Uiso 1 1 calc R . .
C4 C 0.87748(19) 0.33577(7) 0.28151(11) 0.0203(3) Uani 1 1 d . . .
H4 H 0.8960 0.3748 0.2730 0.024 Uiso 1 1 calc R . .
C5 C 0.96970(18) 0.28947(7) 0.29693(10) 0.0174(3) Uani 1 1 d . . .
H5 H 1.0516 0.2975 0.3000 0.021 Uiso 1 1 calc R . .
C6 C 0.94028(16) 0.23090(6) 0.30788(10) 0.0144(3) Uani 1 1 d . . .
H6 H 1.0043 0.2003 0.3195 0.017 Uiso 1 1 calc R . .
C7 C 0.89210(15) 0.08269(6) 0.29745(10) 0.0111(3) Uani 1 1 d . A .
C8 C 0.83894(17) 0.04437(6) 0.22256(11) 0.0157(3) Uani 1 1 d . . .
H8 H 0.7391 0.0421 0.1765 0.019 Uiso 1 1 calc R . .
C9 C 0.9315(2) 0.00922(7) 0.21477(12) 0.0210(3) Uani 1 1 d . . .
H9 H 0.8933 -0.0155 0.1636 0.025 Uiso 1 1 calc R . .
C10 C 1.07975(19) 0.01138(7) 0.28334(13) 0.0220(3) Uani 1 1 d . . .
H10 H 1.1417 -0.0121 0.2787 0.026 Uiso 1 1 calc R . .
C11 C 1.13583(17) 0.04862(7) 0.35909(12) 0.0183(3) Uani 1 1 d . . .
H11 H 1.2356 0.0500 0.4056 0.022 Uiso 1 1 calc R . .
C12 C 1.04282(16) 0.08403(6) 0.36562(10) 0.0133(3) Uani 1 1 d . . .
H12 H 1.0819 0.1092 0.4165 0.016 Uiso 1 1 calc R . .
C13 C 0.85274(15) 0.13012(6) 0.44071(10) 0.0113(3) Uani 1 1 d . A .
C14 C 0.93978(15) 0.08229(6) 0.49747(10) 0.0123(3) Uani 1 1 d . . .
H14 H 0.9576 0.0508 0.4718 0.015 Uiso 1 1 calc R . .
C15 C 1.00061(16) 0.08018(6) 0.59090(11) 0.0151(3) Uani 1 1 d . . .
H15 H 1.0576 0.0476 0.6268 0.018 Uiso 1 1 calc R . .
C16 C 0.97597(17) 0.12704(7) 0.63066(11) 0.0172(3) Uani 1 1 d . . .
H16 H 1.0160 0.1259 0.6931 0.021 Uiso 1 1 calc R . .
C17 C 0.89132(17) 0.17545(7) 0.57646(11) 0.0171(3) Uani 1 1 d . . .
H17 H 0.8748 0.2070 0.6026 0.021 Uiso 1 1 calc R . .
C18 C 0.83097(16) 0.17685(6) 0.48281(11) 0.0140(3) Uani 1 1 d . . .
H18 H 0.7747 0.2097 0.4473 0.017 Uiso 1 1 calc R . .
C19 C 0.65093(16) -0.00791(6) 0.32436(12) 0.0182(3) Uani 1 1 d . . .
H19A H 0.6684 -0.0136 0.2788 0.022 Uiso 1 1 calc R . .
H19B H 0.7350 0.0128 0.3766 0.022 Uiso 1 1 calc R . .
C20 C 0.64381(18) -0.07019(7) 0.35767(14) 0.0277(4) Uani 1 1 d . . .
H20A H 0.6273 -0.0658 0.4033 0.042 Uiso 1 1 calc R . .
H20B H 0.7340 -0.0909 0.3844 0.042 Uiso 1 1 calc R . .
H20C H 0.5657 -0.0928 0.3061 0.042 Uiso 1 1 calc R . .
C21 C 0.46620(16) 0.04254(7) 0.36424(11) 0.0160(3) Uani 1 1 d . . .
H21A H 0.3661 0.0535 0.3358 0.019 Uiso 1 1 calc R . .
H21B H 0.4806 0.0020 0.3879 0.019 Uiso 1 1 calc R . .
C22 C 0.5646(2) 0.08437(9) 0.44537(13) 0.0275(4) Uani 1 1 d . . .
H22A H 0.6639 0.0719 0.4777 0.041 Uiso 1 1 calc R . .
H22B H 0.5389 0.0829 0.4867 0.041 Uiso 1 1 calc R . .
H22C H 0.5534 0.1247 0.4231 0.041 Uiso 1 1 calc R . .
C23 C 0.34546(16) -0.01069(6) 0.19259(11) 0.0155(3) Uani 1 1 d . . .
H23A H 0.3443 -0.0429 0.2282 0.019 Uiso 1 1 calc R . .
H23B H 0.2533 0.0103 0.1606 0.019 Uiso 1 1 calc R . .
C24 C 0.3582(2) -0.03820(8) 0.12078(13) 0.0258(4) Uani 1 1 d . . .
H24A H 0.3597 -0.0068 0.0851 0.039 Uiso 1 1 calc R . .
H24B H 0.2766 -0.0641 0.0805 0.039 Uiso 1 1 calc R . .
H24C H 0.4465 -0.0611 0.1515 0.039 Uiso 1 1 calc R . .
C25 C 0.17529(17) 0.13036(7) 0.19561(11) 0.0169(3) Uani 1 1 d . . .
H25A H 0.1677 0.0869 0.1919 0.020 Uiso 1 1 calc R . .
H25B H 0.2429 0.1408 0.2606 0.020 Uiso 1 1 calc R . .
C26 C 0.0268(2) 0.15573(8) 0.15888(14) 0.0280(4) Uani 1 1 d . . .
H26A H 0.0323 0.1988 0.1636 0.042 Uiso 1 1 calc R . .
H26B H -0.0026 0.1401 0.1947 0.042 Uiso 1 1 calc R . .
H26C H -0.0431 0.1443 0.0952 0.042 Uiso 1 1 calc R . .
C27 C 0.09984(17) 0.14281(7) 0.01549(11) 0.0193(3) Uani 1 1 d . . .
H27A H 0.0186 0.1668 0.0014 0.023 Uiso 1 1 calc R . .
H27B H 0.1260 0.1571 -0.0232 0.023 Uiso 1 1 calc R . .
C28 C 0.05111(18) 0.07731(8) -0.00911(12) 0.0241(3) Uani 1 1 d . . .
H28A H 0.1305 0.0532 0.0040 0.036 Uiso 1 1 calc R . .
H28B H -0.0287 0.0744 -0.0737 0.036 Uiso 1 1 calc R . .
H28C H 0.0209 0.0632 0.0269 0.036 Uiso 1 1 calc R . .
C29 C 0.24736(18) 0.23701(7) 0.14683(11) 0.0183(3) Uani 1 1 d . . .
H29A H 0.2837 0.2561 0.1164 0.022 Uiso 1 1 calc R . .
H29B H 0.1467 0.2490 0.1143 0.022 Uiso 1 1 calc R . .
C30 C 0.3349(2) 0.25948(8) 0.24630(13) 0.0279(4) Uani 1 1 d . . .
H30A H 0.2889 0.2467 0.2735 0.042 Uiso 1 1 calc R . .
H30B H 0.3395 0.3026 0.2469 0.042 Uiso 1 1 calc R . .
H30C H 0.4316 0.2433 0.2812 0.042 Uiso 1 1 calc R . .
C31 C 0.36568(16) 0.23252(7) 0.00508(11) 0.0165(3) Uani 1 1 d . A .
H31A H 0.3492 0.2302 -0.0540 0.020 Uiso 1 1 calc R . .
H31B H 0.2718 0.2294 -0.0070 0.020 Uiso 1 1 calc R . .
C32 C 0.43078(19) 0.29424(7) 0.04789(13) 0.0238(3) Uani 1 1 d . . .
H32A H 0.4551 0.2961 0.1087 0.036 Uiso 1 1 calc R . .
H32B H 0.3611 0.3250 0.0098 0.036 Uiso 1 1 calc R . .
H32C H 0.5169 0.3003 0.0520 0.036 Uiso 1 1 calc R . .
C33 C 0.64242(17) 0.18285(7) 0.08474(11) 0.0165(3) Uani 1 1 d . A .
H33A H 0.6894 0.2180 0.1236 0.020 Uiso 1 1 calc R . .
H33B H 0.7086 0.1493 0.1166 0.020 Uiso 1 1 calc R . .
C34 C 0.6239(2) 0.19349(8) -0.00496(12) 0.0233(3) Uani 1 1 d . . .
H34A H 0.5778 0.1592 -0.0447 0.035 Uiso 1 1 calc R . .
H34B H 0.7176 0.1995 0.0089 0.035 Uiso 1 1 calc R . .
H34C H 0.5648 0.2285 -0.0355 0.035 Uiso 1 1 calc R . .
C35 C 0.4087(10) 0.1019(4) -0.0022(7) 0.0191(16) Uani 0.50 1 d P A 1
H35A H 0.3264 0.0883 -0.0048 0.023 Uiso 0.50 1 calc PR A 1
H35B H 0.3670 0.1195 -0.0624 0.023 Uiso 0.50 1 calc PR A 1
C36 C 0.4629(4) 0.05638(14) -0.0029(2) 0.0209(6) Uani 0.50 1 d P A 1
H36A H 0.5428 0.0658 -0.0042 0.031 Uiso 0.50 1 calc PR A 1
H36B H 0.3919 0.0333 -0.0568 0.031 Uiso 0.50 1 calc PR A 1
H36C H 0.4975 0.0335 0.0517 0.031 Uiso 0.50 1 calc PR A 1
C35B C 0.3741(10) 0.1131(5) -0.0219(7) 0.0194(15) Uani 0.50 1 d P A 2
H35C H 0.4366 0.0780 0.0020 0.023 Uiso 0.50 1 calc PR A 2
H35D H 0.2930 0.1024 -0.0216 0.023 Uiso 0.50 1 calc PR A 2
C36B C 0.3185(4) 0.11168(15) -0.1065(2) 0.0225(7) Uani 0.50 1 d P A 2
H36D H 0.2225 0.1286 -0.1416 0.034 Uiso 0.50 1 calc PR A 2
H36E H 0.3129 0.0708 -0.1253 0.034 Uiso 0.50 1 calc PR A 2
H36F H 0.3775 0.1345 -0.1173 0.034 Uiso 0.50 1 calc PR A 2
P1 P 0.49297(4) 0.042276(15) 0.27337(3) 0.01133(7) Uani 1 1 d . . .
P2 P 0.25525(4) 0.154685(16) 0.13781(3) 0.01124(7) Uani 1 1 d . . .
P3 P 0.47777(4) 0.167329(16) 0.07634(3) 0.01143(7) Uani 1 1 d . . .
Ge1 Ge 0.756799(15) 0.133430(6) 0.305088(10) 0.00857(4) Uani 1 1 d . . .
Rh1 Rh 0.489688(11) 0.125379(4) 0.198336(7) 0.00833(3) Uani 1 1 d . A .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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
C1 C2 1.397(2) . ?
C1 C6 1.398(2) . ?
C1 Ge1 1.9944(13) . ?
C2 C3 1.394(2) . ?
C2 H2 0.9300 . ?
C3 C4 1.380(2) . ?
C3 H3 0.9300 . ?
C4 C5 1.383(2) . ?
C4 H4 0.9300 . ?
C5 C6 1.391(2) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C8 1.393(2) . ?
C7 C12 1.399(2) . ?
C7 Ge1 1.9986(13) . ?
C8 C9 1.398(2) . ?
C8 H8 0.9300 . ?
C9 C10 1.380(3) . ?
C9 H9 0.9300 . ?
C10 C11 1.385(2) . ?
C10 H10 0.9300 . ?
C11 C12 1.393(2) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C14 1.397(2) . ?
C13 C18 1.3995(19) . ?
C13 Ge1 1.9967(14) . ?
C14 C15 1.388(2) . ?
C14 H14 0.9300 . ?
C15 C16 1.391(2) . ?
C15 H15 0.9300 . ?
C16 C17 1.386(2) . ?
C16 H16 0.9300 . ?
C17 C18 1.393(2) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 C20 1.533(2) . ?
C19 P1 1.8411(15) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 C22 1.517(2) . ?
C21 P1 1.8506(15) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 C24 1.524(2) . ?
C23 P1 1.8492(15) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 C26 1.524(2) . ?
C25 P2 1.8471(14) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 C28 1.528(2) . ?
C27 P2 1.8436(16) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 C30 1.524(2) . ?
C29 P2 1.8461(15) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 C32 1.532(2) . ?
C31 P3 1.8513(15) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 C34 1.526(2) . ?
C33 P3 1.8453(15) . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 C36 1.194(11) . ?
C35 P3 1.847(12) . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C35B C36B 1.255(11) . ?
C35B P3 1.866(12) . ?
C35B H35C 0.9700 . ?
C35B H35D 0.9700 . ?
C36B H36D 0.9600 . ?
C36B H36E 0.9600 . ?
C36B H36F 0.9600 . ?
P1 Rh1 2.2822(4) . ?
P2 Rh1 2.3162(4) . ?
P3 Rh1 2.3268(4) . ?
Ge1 Rh1 2.46459(18) . ?

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
C2 C1 C6 117.02(13) . . ?
C2 C1 Ge1 118.77(11) . . ?
C6 C1 Ge1 124.12(10) . . ?
C3 C2 C1 121.55(14) . . ?
C3 C2 H2 119.2 . . ?
C1 C2 H2 119.2 . . ?
C4 C3 C2 120.10(14) . . ?
C4 C3 H3 119.9 . . ?
C2 C3 H3 119.9 . . ?
C3 C4 C5 119.55(14) . . ?
C3 C4 H4 120.2 . . ?
C5 C4 H4 120.2 . . ?
C4 C5 C6 120.14(14) . . ?
C4 C5 H5 119.9 . . ?
C6 C5 H5 119.9 . . ?
C5 C6 C1 121.56(14) . . ?
C5 C6 H6 119.2 . . ?
C1 C6 H6 119.2 . . ?
C8 C7 C12 117.03(13) . . ?
C8 C7 Ge1 120.72(11) . . ?
C12 C7 Ge1 122.25(10) . . ?
C7 C8 C9 121.82(15) . . ?
C7 C8 H8 119.1 . . ?
C9 C8 H8 119.1 . . ?
C10 C9 C8 119.78(15) . . ?
C10 C9 H9 120.1 . . ?
C8 C9 H9 120.1 . . ?
C9 C10 C11 119.76(14) . . ?
C9 C10 H10 120.1 . . ?
C11 C10 H10 120.1 . . ?
C10 C11 C12 120.01(15) . . ?
C10 C11 H11 120.0 . . ?
C12 C11 H11 120.0 . . ?
C11 C12 C7 121.59(14) . . ?
C11 C12 H12 119.2 . . ?
C7 C12 H12 119.2 . . ?
C14 C13 C18 116.78(13) . . ?
C14 C13 Ge1 123.51(10) . . ?
C18 C13 Ge1 119.70(10) . . ?
C15 C14 C13 122.20(13) . . ?
C15 C14 H14 118.9 . . ?
C13 C14 H14 118.9 . . ?
C14 C15 C16 119.74(14) . . ?
C14 C15 H15 120.1 . . ?
C16 C15 H15 120.1 . . ?
C17 C16 C15 119.50(14) . . ?
C17 C16 H16 120.2 . . ?
C15 C16 H16 120.2 . . ?
C16 C17 C18 120.05(13) . . ?
C16 C17 H17 120.0 . . ?
C18 C17 H17 120.0 . . ?
C17 C18 C13 121.73(13) . . ?
C17 C18 H18 119.1 . . ?
C13 C18 H18 119.1 . . ?
C20 C19 P1 118.25(11) . . ?
C20 C19 H19A 107.7 . . ?
P1 C19 H19A 107.7 . . ?
C20 C19 H19B 107.7 . . ?
P1 C19 H19B 107.7 . . ?
H19A C19 H19B 107.1 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 P1 115.79(10) . . ?
C22 C21 H21A 108.3 . . ?
P1 C21 H21A 108.3 . . ?
C22 C21 H21B 108.3 . . ?
P1 C21 H21B 108.3 . . ?
H21A C21 H21B 107.4 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C24 C23 P1 114.48(11) . . ?
C24 C23 H23A 108.6 . . ?
P1 C23 H23A 108.6 . . ?
C24 C23 H23B 108.6 . . ?
P1 C23 H23B 108.6 . . ?
H23A C23 H23B 107.6 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 P2 117.36(11) . . ?
C26 C25 H25A 108.0 . . ?
P2 C25 H25A 108.0 . . ?
C26 C25 H25B 108.0 . . ?
P2 C25 H25B 108.0 . . ?
H25A C25 H25B 107.2 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C28 C27 P2 114.00(11) . . ?
C28 C27 H27A 108.8 . . ?
P2 C27 H27A 108.8 . . ?
C28 C27 H27B 108.8 . . ?
P2 C27 H27B 108.8 . . ?
H27A C27 H27B 107.6 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C30 C29 P2 113.42(11) . . ?
C30 C29 H29A 108.9 . . ?
P2 C29 H29A 108.9 . . ?
C30 C29 H29B 108.9 . . ?
P2 C29 H29B 108.9 . . ?
H29A C29 H29B 107.7 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C32 C31 P3 115.25(11) . . ?
C32 C31 H31A 108.5 . . ?
P3 C31 H31A 108.5 . . ?
C32 C31 H31B 108.5 . . ?
P3 C31 H31B 108.5 . . ?
H31A C31 H31B 107.5 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C34 C33 P3 117.87(11) . . ?
C34 C33 H33A 107.8 . . ?
P3 C33 H33A 107.8 . . ?
C34 C33 H33B 107.8 . . ?
P3 C33 H33B 107.8 . . ?
H33A C33 H33B 107.2 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C36 C35 P3 133.8(7) . . ?
C36 C35 H35A 103.8 . . ?
P3 C35 H35A 103.8 . . ?
C36 C35 H35B 103.8 . . ?
P3 C35 H35B 103.8 . . ?
H35A C35 H35B 105.4 . . ?
C36B C35B P3 138.0(7) . . ?
C36B C35B H35C 102.6 . . ?
P3 C35B H35C 102.6 . . ?
C36B C35B H35D 102.6 . . ?
P3 C35B H35D 102.6 . . ?
H35C C35B H35D 105.0 . . ?
C35B C36B H36D 109.5 . . ?
C35B C36B H36E 109.5 . . ?
H36D C36B H36E 109.5 . . ?
C35B C36B H36F 109.5 . . ?
H36D C36B H36F 109.5 . . ?
H36E C36B H36F 109.5 . . ?
C19 P1 C23 99.78(7) . . ?
C19 P1 C21 101.68(7) . . ?
C23 P1 C21 97.93(7) . . ?
C19 P1 Rh1 116.45(5) . . ?
C23 P1 Rh1 111.63(5) . . ?
C21 P1 Rh1 125.20(5) . . ?
C27 P2 C29 100.64(7) . . ?
C27 P2 C25 100.59(7) . . ?
C29 P2 C25 99.92(7) . . ?
C27 P2 Rh1 122.60(5) . . ?
C29 P2 Rh1 110.08(5) . . ?
C25 P2 Rh1 119.35(5) . . ?
C33 P3 C31 99.31(7) . . ?
C33 P3 C35 98.9(4) . . ?
C31 P3 C35 106.6(2) . . ?
C33 P3 C35B 103.6(4) . . ?
C31 P3 C35B 93.7(2) . . ?
C33 P3 Rh1 122.02(5) . . ?
C31 P3 Rh1 126.34(5) . . ?
C35 P3 Rh1 99.6(3) . . ?
C35B P3 Rh1 106.5(3) . . ?
C1 Ge1 C13 97.25(6) . . ?
C1 Ge1 C7 102.97(6) . . ?
C13 Ge1 C7 100.91(6) . . ?
C1 Ge1 Rh1 109.64(4) . . ?
C13 Ge1 Rh1 117.66(4) . . ?
C7 Ge1 Rh1 124.32(4) . . ?
P1 Rh1 P2 95.987(13) . . ?
P1 Rh1 P3 149.509(14) . . ?
P2 Rh1 P3 93.191(13) . . ?
P1 Rh1 Ge1 91.634(10) . . ?
P2 Rh1 Ge1 154.276(11) . . ?
P3 Rh1 Ge1 92.558(10) . . ?

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
C6 C1 C2 C3 1.1(2) . . . . ?
Ge1 C1 C2 C3 -175.66(12) . . . . ?
C1 C2 C3 C4 1.4(2) . . . . ?
C2 C3 C4 C5 -2.5(2) . . . . ?
C3 C4 C5 C6 1.2(2) . . . . ?
C4 C5 C6 C1 1.3(2) . . . . ?
C2 C1 C6 C5 -2.4(2) . . . . ?
Ge1 C1 C6 C5 174.14(11) . . . . ?
C12 C7 C8 C9 -0.8(2) . . . . ?
Ge1 C7 C8 C9 178.83(11) . . . . ?
C7 C8 C9 C10 1.0(2) . . . . ?
C8 C9 C10 C11 -0.4(2) . . . . ?
C9 C10 C11 C12 -0.4(2) . . . . ?
C10 C11 C12 C7 0.6(2) . . . . ?
C8 C7 C12 C11 -0.1(2) . . . . ?
Ge1 C7 C12 C11 -179.65(11) . . . . ?
C18 C13 C14 C15 0.9(2) . . . . ?
Ge1 C13 C14 C15 -177.51(11) . . . . ?
C13 C14 C15 C16 -0.4(2) . . . . ?
C14 C15 C16 C17 -0.3(2) . . . . ?
C15 C16 C17 C18 0.3(2) . . . . ?
C16 C17 C18 C13 0.3(2) . . . . ?
C14 C13 C18 C17 -0.9(2) . . . . ?
Ge1 C13 C18 C17 177.63(11) . . . . ?
C20 C19 P1 C23 -47.43(15) . . . . ?
C20 C19 P1 C21 52.85(15) . . . . ?
C20 C19 P1 Rh1 -167.67(12) . . . . ?
C24 C23 P1 C19 -58.94(13) . . . . ?
C24 C23 P1 C21 -162.32(12) . . . . ?
C24 C23 P1 Rh1 64.74(12) . . . . ?
C22 C21 P1 C19 81.04(13) . . . . ?
C22 C21 P1 C23 -177.19(13) . . . . ?
C22 C21 P1 Rh1 -53.57(14) . . . . ?
C28 C27 P2 C29 -165.10(12) . . . . ?
C28 C27 P2 C25 -62.78(13) . . . . ?
C28 C27 P2 Rh1 72.57(13) . . . . ?
C30 C29 P2 C27 163.57(12) . . . . ?
C30 C29 P2 C25 60.71(13) . . . . ?
C30 C29 P2 Rh1 -65.71(12) . . . . ?
C26 C25 P2 C27 -48.62(14) . . . . ?
C26 C25 P2 C29 54.28(14) . . . . ?
C26 C25 P2 Rh1 174.17(11) . . . . ?
C34 C33 P3 C31 -52.61(13) . . . . ?
C34 C33 P3 C35 56.0(3) . . . . ?
C34 C33 P3 C35B 43.6(3) . . . . ?
C34 C33 P3 Rh1 163.22(10) . . . . ?
C32 C31 P3 C33 -60.17(12) . . . . ?
C32 C31 P3 C35 -162.4(4) . . . . ?
C32 C31 P3 C35B -164.6(4) . . . . ?
C32 C31 P3 Rh1 81.79(12) . . . . ?
C36 C35 P3 C33 49.1(12) . . . . ?
C36 C35 P3 C31 151.6(10) . . . . ?
C36 C35 P3 C35B 161(4) . . . . ?
C36 C35 P3 Rh1 -75.7(12) . . . . ?
C36B C35B P3 C33 -59.8(11) . . . . ?
C36B C35B P3 C31 40.7(11) . . . . ?
C36B C35B P3 C35 -130(4) . . . . ?
C36B C35B P3 Rh1 170.4(10) . . . . ?
C2 C1 Ge1 C13 -89.25(12) . . . . ?
C6 C1 Ge1 C13 94.23(13) . . . . ?
C2 C1 Ge1 C7 167.75(12) . . . . ?
C6 C1 Ge1 C7 -8.77(14) . . . . ?
C2 C1 Ge1 Rh1 33.59(12) . . . . ?
C6 C1 Ge1 Rh1 -142.93(11) . . . . ?
C14 C13 Ge1 C1 -131.98(12) . . . . ?
C18 C13 Ge1 C1 49.61(12) . . . . ?
C14 C13 Ge1 C7 -27.21(12) . . . . ?
C18 C13 Ge1 C7 154.38(11) . . . . ?
C14 C13 Ge1 Rh1 111.32(11) . . . . ?
C18 C13 Ge1 Rh1 -67.09(11) . . . . ?
C8 C7 Ge1 C1 -117.20(12) . . . . ?
C12 C7 Ge1 C1 62.39(12) . . . . ?
C8 C7 Ge1 C13 142.65(11) . . . . ?
C12 C7 Ge1 C13 -37.77(12) . . . . ?
C8 C7 Ge1 Rh1 7.90(13) . . . . ?
C12 C7 Ge1 Rh1 -172.52(9) . . . . ?
C19 P1 Rh1 P2 171.84(6) . . . . ?
C23 P1 Rh1 P2 58.18(5) . . . . ?
C21 P1 Rh1 P2 -59.29(6) . . . . ?
C19 P1 Rh1 P3 65.08(7) . . . . ?
C23 P1 Rh1 P3 -48.58(6) . . . . ?
C21 P1 Rh1 P3 -166.05(6) . . . . ?
C19 P1 Rh1 Ge1 -32.76(6) . . . . ?
C23 P1 Rh1 Ge1 -146.43(5) . . . . ?
C21 P1 Rh1 Ge1 96.11(6) . . . . ?
C27 P2 Rh1 P1 -103.69(6) . . . . ?
C29 P2 Rh1 P1 138.46(6) . . . . ?
C25 P2 Rh1 P1 23.89(6) . . . . ?
C27 P2 Rh1 P3 47.19(6) . . . . ?
C29 P2 Rh1 P3 -70.65(6) . . . . ?
C25 P2 Rh1 P3 174.77(6) . . . . ?
C27 P2 Rh1 Ge1 149.83(6) . . . . ?
C29 P2 Rh1 Ge1 31.98(6) . . . . ?
C25 P2 Rh1 Ge1 -82.60(6) . . . . ?
C33 P3 Rh1 P1 -90.03(7) . . . . ?
C31 P3 Rh1 P1 135.79(6) . . . . ?
C35 P3 Rh1 P1 16.9(3) . . . . ?
C35B P3 Rh1 P1 28.2(3) . . . . ?
C33 P3 Rh1 P2 162.48(6) . . . . ?
C31 P3 Rh1 P2 28.30(6) . . . . ?
C35 P3 Rh1 P2 -90.6(3) . . . . ?
C35B P3 Rh1 P2 -79.3(3) . . . . ?
C33 P3 Rh1 Ge1 7.57(6) . . . . ?
C31 P3 Rh1 Ge1 -126.61(6) . . . . ?
C35 P3 Rh1 Ge1 114.5(3) . . . . ?
C35B P3 Rh1 Ge1 125.8(3) . . . . ?
C1 Ge1 Rh1 P1 -159.35(4) . . . . ?
C13 Ge1 Rh1 P1 -49.57(4) . . . . ?
C7 Ge1 Rh1 P1 78.49(5) . . . . ?
C1 Ge1 Rh1 P2 -51.92(5) . . . . ?
C13 Ge1 Rh1 P2 57.87(5) . . . . ?
C7 Ge1 Rh1 P2 -174.07(5) . . . . ?
C1 Ge1 Rh1 P3 50.86(4) . . . . ?
C13 Ge1 Rh1 P3 160.64(4) . . . . ?
C7 Ge1 Rh1 P3 -71.30(5) . . . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        28.23
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.474
_refine_diff_density_min         -1.083
_refine_diff_density_rms         0.142
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ta70_complex7
_database_code_depnum_ccdc_archive 'CCDC 1438404'
_audit_update_record             
;
2015-11-23 deposited with the CCDC.
2016-02-02 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C32 H45 Ge O2 P2 Rh'
_chemical_formula_sum            'C32 H45 Ge O2 P2 Rh'
_chemical_formula_weight         699.12

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'
Ge Ge 0.1547 1.8001 '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'
P P 0.1023 0.0942 '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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P21/c
_symmetry_space_group_name_Hall  '-P 2ybc'

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'

_cell_length_a                   17.9962(4)
_cell_length_b                   10.8071(2)
_cell_length_c                   18.7150(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 116.882(2)
_cell_angle_gamma                90.00
_cell_volume                     3246.50(12)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    55772
_cell_measurement_theta_min      4.58
_cell_measurement_theta_max      28.40

_exptl_crystal_description       platelet
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.46
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.430
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1440
_exptl_absorpt_coefficient_mu    1.559
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5341
_exptl_absorpt_correction_T_max  0.8597
_exptl_absorpt_process_details   'PLATON; Spek, 2003'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'STOE IPDS2theta'
_diffrn_measurement_method       'rotation method'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        'no decay'
_diffrn_reflns_number            44424
_diffrn_reflns_av_R_equivalents  0.0458
_diffrn_reflns_av_sigmaI/netI    0.0240
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         4.64
_diffrn_reflns_theta_max         27.50
_reflns_number_total             7419
_reflns_number_gt                6577
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'X-AREA (Stoe & Cie, 2002)'
_computing_cell_refinement       'X-AREA (Stoe & Cie, 2002)'
_computing_data_reduction        'X-RED (Stoe & Cie, 2002)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics    'PLATON, 1990'
_computing_publication_material  'PLATON, 1990'


_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0314P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7419
_refine_ls_number_parameters     349
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0255
_refine_ls_R_factor_gt           0.0205
_refine_ls_wR_factor_ref         0.0500
_refine_ls_wR_factor_gt          0.0489
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_restrained_S_all      1.018
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
Rh1 Rh 0.265404(6) 0.242173(10) 0.184935(6) 0.00991(4) Uani 1 1 d . . .
Ge1 Ge 0.249299(9) 0.469577(14) 0.191425(9) 0.01182(4) Uani 1 1 d . . .
P1 P 0.31013(2) 0.03891(3) 0.22558(2) 0.01306(8) Uani 1 1 d . . .
P2 P 0.18079(2) 0.22191(4) 0.04226(2) 0.01369(8) Uani 1 1 d . . .
O1 O 0.16964(8) 0.22896(12) 0.28260(8) 0.0244(3) Uani 1 1 d . . .
O2 O 0.44452(7) 0.30721(13) 0.22877(9) 0.0313(3) Uani 1 1 d . . .
C1 C 0.33711(9) 0.54058(14) 0.29115(9) 0.0156(3) Uani 1 1 d . . .
C2 C 0.39057(10) 0.63585(14) 0.29401(10) 0.0178(3) Uani 1 1 d . . .
H2 H 0.3892 0.6654 0.2456 0.021 Uiso 1 1 calc R . .
C3 C 0.44605(10) 0.68852(16) 0.36669(10) 0.0215(3) Uani 1 1 d . . .
H3 H 0.4823 0.7529 0.3674 0.026 Uiso 1 1 calc R . .
C4 C 0.44850(11) 0.64762(17) 0.43762(11) 0.0257(4) Uani 1 1 d . . .
H4 H 0.4856 0.6847 0.4870 0.031 Uiso 1 1 calc R . .
C5 C 0.39645(12) 0.55209(18) 0.43614(10) 0.0290(4) Uani 1 1 d . . .
H5 H 0.3980 0.5230 0.4847 0.035 Uiso 1 1 calc R . .
C6 C 0.34204(11) 0.49883(17) 0.36385(10) 0.0241(3) Uani 1 1 d . . .
H6 H 0.3073 0.4325 0.3637 0.029 Uiso 1 1 calc R . .
C7 C 0.25479(9) 0.56708(14) 0.10459(9) 0.0150(3) Uani 1 1 d . . .
C8 C 0.32711(10) 0.56930(15) 0.09428(10) 0.0186(3) Uani 1 1 d . . .
H8 H 0.3750 0.5253 0.1308 0.022 Uiso 1 1 calc R . .
C9 C 0.33046(11) 0.63435(16) 0.03182(11) 0.0235(4) Uani 1 1 d . . .
H9 H 0.3803 0.6350 0.0262 0.028 Uiso 1 1 calc R . .
C10 C 0.26083(11) 0.69852(17) -0.02243(10) 0.0248(4) Uani 1 1 d . . .
H10 H 0.2627 0.7427 -0.0655 0.030 Uiso 1 1 calc R . .
C11 C 0.18873(11) 0.69756(17) -0.01322(10) 0.0240(4) Uani 1 1 d . . .
H11 H 0.1410 0.7415 -0.0500 0.029 Uiso 1 1 calc R . .
C12 C 0.18585(10) 0.63246(15) 0.04984(10) 0.0184(3) Uani 1 1 d . . .
H12 H 0.1360 0.6327 0.0555 0.022 Uiso 1 1 calc R . .
C13 C 0.14814(10) 0.52655(14) 0.19906(9) 0.0163(3) Uani 1 1 d . . .
C14 C 0.15145(11) 0.63314(15) 0.24219(11) 0.0209(3) Uani 1 1 d . . .
H14 H 0.2020 0.6785 0.2668 0.025 Uiso 1 1 calc R . .
C15 C 0.08233(12) 0.67474(17) 0.25012(11) 0.0255(4) Uani 1 1 d . . .
H15 H 0.0861 0.7480 0.2797 0.031 Uiso 1 1 calc R . .
C16 C 0.00797(11) 0.60963(18) 0.21501(11) 0.0261(4) Uani 1 1 d . . .
H16 H -0.0393 0.6378 0.2204 0.031 Uiso 1 1 calc R . .
C17 C 0.00325(11) 0.50356(19) 0.17220(11) 0.0272(4) Uani 1 1 d . . .
H17 H -0.0474 0.4583 0.1480 0.033 Uiso 1 1 calc R . .
C18 C 0.07267(10) 0.46261(16) 0.16440(10) 0.0221(3) Uani 1 1 d . . .
H18 H 0.0685 0.3894 0.1348 0.026 Uiso 1 1 calc R . .
C19 C 0.40237(10) -0.01612(16) 0.21772(9) 0.0183(3) Uani 1 1 d . . .
H19A H 0.4491 0.0408 0.2485 0.022 Uiso 1 1 calc R . .
H19B H 0.4177 -0.0985 0.2435 0.022 Uiso 1 1 calc R . .
C20 C 0.39330(11) -0.02677(16) 0.13305(10) 0.0231(3) Uani 1 1 d . . .
H20A H 0.3505 -0.0884 0.1031 0.035 Uiso 1 1 calc R . .
H20B H 0.4466 -0.0524 0.1353 0.035 Uiso 1 1 calc R . .
H20C H 0.3770 0.0536 0.1062 0.035 Uiso 1 1 calc R . .
C21 C 0.34461(10) 0.01623(16) 0.33330(9) 0.0192(3) Uani 1 1 d . . .
H21A H 0.2976 0.0353 0.3453 0.023 Uiso 1 1 calc R . .
H21B H 0.3593 -0.0720 0.3465 0.023 Uiso 1 1 calc R . .
C22 C 0.41920(11) 0.0957(2) 0.38701(11) 0.0293(4) Uani 1 1 d . . .
H22A H 0.4671 0.0745 0.3777 0.044 Uiso 1 1 calc R . .
H22B H 0.4331 0.0804 0.4433 0.044 Uiso 1 1 calc R . .
H22C H 0.4053 0.1833 0.3745 0.044 Uiso 1 1 calc R . .
C23 C 0.23722(10) -0.09013(15) 0.18326(10) 0.0191(3) Uani 1 1 d . . .
H23A H 0.2282 -0.1052 0.1277 0.023 Uiso 1 1 calc R . .
H23B H 0.2624 -0.1657 0.2149 0.023 Uiso 1 1 calc R . .
C24 C 0.15300(10) -0.06722(16) 0.18232(11) 0.0248(4) Uani 1 1 d . . .
H24A H 0.1610 -0.0564 0.2373 0.037 Uiso 1 1 calc R . .
H24B H 0.1163 -0.1382 0.1578 0.037 Uiso 1 1 calc R . .
H24C H 0.1277 0.0076 0.1512 0.037 Uiso 1 1 calc R . .
C25 C 0.16727(10) 0.06604(15) -0.00223(9) 0.0194(3) Uani 1 1 d . . .
H25A H 0.2233 0.0324 0.0115 0.023 Uiso 1 1 calc R . .
H25B H 0.1422 0.0124 0.0240 0.023 Uiso 1 1 calc R . .
C26 C 0.11439(12) 0.05444(17) -0.09280(10) 0.0281(4) Uani 1 1 d . . .
H26A H 0.0583 0.0862 -0.1078 0.042 Uiso 1 1 calc R . .
H26B H 0.1109 -0.0327 -0.1084 0.042 Uiso 1 1 calc R . .
H26C H 0.1401 0.1024 -0.1203 0.042 Uiso 1 1 calc R . .
C27 C 0.21418(10) 0.31138(15) -0.02146(9) 0.0190(3) Uani 1 1 d . . .
H27A H 0.1739 0.2977 -0.0783 0.023 Uiso 1 1 calc R . .
H27B H 0.2131 0.4005 -0.0098 0.023 Uiso 1 1 calc R . .
C28 C 0.30102(12) 0.27751(19) -0.00974(11) 0.0283(4) Uani 1 1 d . . .
H28A H 0.3413 0.2909 0.0464 0.042 Uiso 1 1 calc R . .
H28B H 0.3157 0.3295 -0.0444 0.042 Uiso 1 1 calc R . .
H28C H 0.3020 0.1903 -0.0237 0.042 Uiso 1 1 calc R . .
C29 C 0.07172(10) 0.27290(16) 0.00154(10) 0.0200(3) Uani 1 1 d . . .
H29A H 0.0704 0.3595 0.0182 0.024 Uiso 1 1 calc R . .
H29B H 0.0463 0.2713 -0.0577 0.024 Uiso 1 1 calc R . .
C30 C 0.01996(10) 0.19269(17) 0.02916(11) 0.0248(4) Uani 1 1 d . . .
H30A H 0.0156 0.1089 0.0076 0.037 Uiso 1 1 calc R . .
H30B H -0.0359 0.2283 0.0098 0.037 Uiso 1 1 calc R . .
H30C H 0.0469 0.1893 0.0878 0.037 Uiso 1 1 calc R . .
C31 C 0.20300(9) 0.23563(14) 0.24299(9) 0.0149(3) Uani 1 1 d . . .
C32 C 0.37575(10) 0.28478(15) 0.20953(10) 0.0176(3) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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
Rh1 C32 1.8817(15) . ?
Rh1 C31 1.8841(15) . ?
Rh1 P1 2.3448(4) . ?
Rh1 P2 2.4123(4) . ?
Rh1 Ge1 2.48400(19) . ?
Ge1 C1 1.9754(16) . ?
Ge1 C7 1.9765(15) . ?
Ge1 C13 1.9873(15) . ?
P1 C19 1.8309(15) . ?
P1 C23 1.8313(16) . ?
P1 C21 1.8379(16) . ?
P2 C27 1.8349(16) . ?
P2 C29 1.8396(16) . ?
P2 C25 1.8458(16) . ?
O1 C31 1.1478(19) . ?
O2 C32 1.1476(19) . ?
C1 C2 1.394(2) . ?
C1 C6 1.398(2) . ?
C2 C3 1.394(2) . ?
C2 H2 0.9500 . ?
C3 C4 1.381(2) . ?
C3 H3 0.9500 . ?
C4 C5 1.386(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.387(2) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C12 1.392(2) . ?
C7 C8 1.399(2) . ?
C8 C9 1.388(2) . ?
C8 H8 0.9500 . ?
C9 C10 1.390(2) . ?
C9 H9 0.9500 . ?
C10 C11 1.384(2) . ?
C10 H10 0.9500 . ?
C11 C12 1.395(2) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C14 1.392(2) . ?
C13 C18 1.395(2) . ?
C14 C15 1.392(2) . ?
C14 H14 0.9500 . ?
C15 C16 1.387(3) . ?
C15 H15 0.9500 . ?
C16 C17 1.379(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.394(2) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C20 1.522(2) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.527(2) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C24 1.528(2) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.528(2) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 C28 1.521(2) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C30 1.524(2) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?

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
C32 Rh1 C31 134.95(7) . . ?
C32 Rh1 P1 88.88(5) . . ?
C31 Rh1 P1 89.11(5) . . ?
C32 Rh1 P2 111.17(5) . . ?
C31 Rh1 P2 113.10(5) . . ?
P1 Rh1 P2 103.082(14) . . ?
C32 Rh1 Ge1 83.08(5) . . ?
C31 Rh1 Ge1 84.02(4) . . ?
P1 Rh1 Ge1 160.307(11) . . ?
P2 Rh1 Ge1 96.587(11) . . ?
C1 Ge1 C7 104.70(6) . . ?
C1 Ge1 C13 100.32(6) . . ?
C7 Ge1 C13 106.38(6) . . ?
C1 Ge1 Rh1 111.68(4) . . ?
C7 Ge1 Rh1 115.91(4) . . ?
C13 Ge1 Rh1 116.17(5) . . ?
C19 P1 C23 102.49(8) . . ?
C19 P1 C21 100.14(7) . . ?
C23 P1 C21 101.15(8) . . ?
C19 P1 Rh1 117.97(6) . . ?
C23 P1 Rh1 119.96(5) . . ?
C21 P1 Rh1 112.14(5) . . ?
C27 P2 C29 100.05(8) . . ?
C27 P2 C25 101.70(7) . . ?
C29 P2 C25 100.85(8) . . ?
C27 P2 Rh1 116.31(5) . . ?
C29 P2 Rh1 116.91(5) . . ?
C25 P2 Rh1 118.07(5) . . ?
C2 C1 C6 117.54(15) . . ?
C2 C1 Ge1 124.52(12) . . ?
C6 C1 Ge1 117.77(12) . . ?
C3 C2 C1 121.10(15) . . ?
C3 C2 H2 119.5 . . ?
C1 C2 H2 119.5 . . ?
C4 C3 C2 120.33(16) . . ?
C4 C3 H3 119.8 . . ?
C2 C3 H3 119.8 . . ?
C3 C4 C5 119.45(16) . . ?
C3 C4 H4 120.3 . . ?
C5 C4 H4 120.3 . . ?
C4 C5 C6 120.10(16) . . ?
C4 C5 H5 119.9 . . ?
C6 C5 H5 119.9 . . ?
C5 C6 C1 121.46(16) . . ?
C5 C6 H6 119.3 . . ?
C1 C6 H6 119.3 . . ?
C12 C7 C8 117.69(14) . . ?
C12 C7 Ge1 121.09(11) . . ?
C8 C7 Ge1 121.19(12) . . ?
C9 C8 C7 121.45(15) . . ?
C9 C8 H8 119.3 . . ?
C7 C8 H8 119.3 . . ?
C8 C9 C10 119.98(15) . . ?
C8 C9 H9 120.0 . . ?
C10 C9 H9 120.0 . . ?
C11 C10 C9 119.44(15) . . ?
C11 C10 H10 120.3 . . ?
C9 C10 H10 120.3 . . ?
C10 C11 C12 120.31(16) . . ?
C10 C11 H11 119.8 . . ?
C12 C11 H11 119.8 . . ?
C7 C12 C11 121.12(15) . . ?
C7 C12 H12 119.4 . . ?
C11 C12 H12 119.4 . . ?
C14 C13 C18 117.19(14) . . ?
C14 C13 Ge1 119.84(12) . . ?
C18 C13 Ge1 122.96(12) . . ?
C15 C14 C13 121.52(16) . . ?
C15 C14 H14 119.2 . . ?
C13 C14 H14 119.2 . . ?
C16 C15 C14 120.20(17) . . ?
C16 C15 H15 119.9 . . ?
C14 C15 H15 119.9 . . ?
C17 C16 C15 119.33(15) . . ?
C17 C16 H16 120.3 . . ?
C15 C16 H16 120.3 . . ?
C16 C17 C18 120.14(17) . . ?
C16 C17 H17 119.9 . . ?
C18 C17 H17 119.9 . . ?
C17 C18 C13 121.62(17) . . ?
C17 C18 H18 119.2 . . ?
C13 C18 H18 119.2 . . ?
C20 C19 P1 115.71(11) . . ?
C20 C19 H19A 108.4 . . ?
P1 C19 H19A 108.4 . . ?
C20 C19 H19B 108.4 . . ?
P1 C19 H19B 108.4 . . ?
H19A C19 H19B 107.4 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 P1 114.04(12) . . ?
C22 C21 H21A 108.7 . . ?
P1 C21 H21A 108.7 . . ?
C22 C21 H21B 108.7 . . ?
P1 C21 H21B 108.7 . . ?
H21A C21 H21B 107.6 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C24 C23 P1 113.24(12) . . ?
C24 C23 H23A 108.9 . . ?
P1 C23 H23A 108.9 . . ?
C24 C23 H23B 108.9 . . ?
P1 C23 H23B 108.9 . . ?
H23A C23 H23B 107.7 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 P2 117.65(12) . . ?
C26 C25 H25A 107.9 . . ?
P2 C25 H25A 107.9 . . ?
C26 C25 H25B 107.9 . . ?
P2 C25 H25B 107.9 . . ?
H25A C25 H25B 107.2 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C28 C27 P2 113.36(12) . . ?
C28 C27 H27A 108.9 . . ?
P2 C27 H27A 108.9 . . ?
C28 C27 H27B 108.9 . . ?
P2 C27 H27B 108.9 . . ?
H27A C27 H27B 107.7 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C30 C29 P2 112.98(11) . . ?
C30 C29 H29A 109.0 . . ?
P2 C29 H29A 109.0 . . ?
C30 C29 H29B 109.0 . . ?
P2 C29 H29B 109.0 . . ?
H29A C29 H29B 107.8 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
O1 C31 Rh1 175.49(14) . . ?
O2 C32 Rh1 175.94(15) . . ?

_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         0.475
_refine_diff_density_min         -0.912
_refine_diff_density_rms         0.059
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ta136
_database_code_depnum_ccdc_archive 'CCDC 1438405'
_audit_update_record             
;
2015-11-23 deposited with the CCDC.
2016-02-02 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C30 H60 F10 O4 P4 Rh2'
_chemical_formula_sum            'C30 H60 F10 O4 P4 Rh2'
_chemical_formula_weight         1004.48

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'
F F 0.0171 0.0103 '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'
P P 0.1023 0.0942 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   11.5052(14)
_cell_length_b                   11.7794(12)
_cell_length_c                   15.3559(17)
_cell_angle_alpha                90
_cell_angle_beta                 92.700(5)
_cell_angle_gamma                90
_cell_volume                     2078.8(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9888
_cell_measurement_theta_min      2.27
_cell_measurement_theta_max      25.37

_exptl_crystal_description       block
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.605
_exptl_crystal_F_000             1024
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.140
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.120
_exptl_absorpt_coefficient_mu    1.024
_shelx_estimated_absorpt_T_min   0.870
_shelx_estimated_absorpt_T_max   0.887
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  .5289
_exptl_absorpt_correction_T_max  .7452
_exptl_absorpt_process_details   'Bruker APEX2'


_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            18889
_diffrn_reflns_av_unetI/netI     0.0239
_diffrn_reflns_av_R_equivalents  0.0331
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.264
_diffrn_reflns_theta_max         25.386
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             3810
_reflns_number_gt                3519
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0387P)²+0.7767P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         3810
_refine_ls_number_parameters     232
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0235
_refine_ls_R_factor_gt           0.0211
_refine_ls_wR_factor_ref         0.0588
_refine_ls_wR_factor_gt          0.0571
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_restrained_S_all      1.008
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.06651(2) 0.10319(2) 0.44834(2) 0.01044(7) Uani 1 1 d . . . . .
P1 P 0.21595(4) 0.21631(4) 0.50053(3) 0.01356(11) Uani 1 1 d . . . . .
P2 P 0.12779(4) 0.02306(4) 0.31874(3) 0.01264(11) Uani 1 1 d . . . . .
F1 F 0.08839(10) 0.29208(9) 0.32933(7) 0.0197(2) Uani 1 1 d . . . . .
F2 F -0.11135(11) 0.37749(9) 0.31114(8) 0.0238(3) Uani 1 1 d . . . . .
F3 F -0.19791(10) 0.18702(10) 0.47061(7) 0.0227(3) Uani 1 1 d . . . . .
F4 F -0.24981(11) 0.36046(10) 0.44509(8) 0.0293(3) Uani 1 1 d . . . . .
F5 F -0.29178(10) 0.23181(11) 0.35025(8) 0.0315(3) Uani 1 1 d . . . . .
O1 O 0.07689(11) 0.00581(10) 0.56720(8) 0.0135(3) Uani 1 1 d . . . . .
O2 O 0.02049(11) 0.11751(10) 0.57176(8) 0.0142(3) Uani 1 1 d . . . . .
C7 C 0.21656(17) -0.10539(15) 0.33221(13) 0.0159(4) Uani 1 1 d . . . . .
H7A H 0.1773 -0.1577 0.3718 0.019 Uiso 1 1 calc R U . . .
H7B H 0.2195 -0.1434 0.2749 0.019 Uiso 1 1 calc R U . . .
C8 C 0.34096(18) -0.08659(17) 0.36808(14) 0.0234(4) Uani 1 1 d . . . . .
H8A H 0.3826 -0.0387 0.3277 0.035 Uiso 1 1 calc R U . . .
H8B H 0.3806 -0.1599 0.3746 0.035 Uiso 1 1 calc R U . . .
H8C H 0.3396 -0.0490 0.4250 0.035 Uiso 1 1 calc R U . . .
C9 C 0.20973(18) 0.10964(16) 0.24283(13) 0.0196(4) Uani 1 1 d . . . . .
H9A H 0.1604 0.1750 0.2243 0.024 Uiso 1 1 calc R U . . .
H9B H 0.2791 0.1405 0.2753 0.024 Uiso 1 1 calc R U . . .
C10 C 0.2503(2) 0.05091(18) 0.16120(13) 0.0259(5) Uani 1 1 d . . . . .
H10A H 0.3028 -0.0117 0.1780 0.039 Uiso 1 1 calc R U . . .
H10B H 0.2916 0.1056 0.1258 0.039 Uiso 1 1 calc R U . . .
H10C H 0.1828 0.0211 0.1273 0.039 Uiso 1 1 calc R U . . .
C11 C 0.00752(16) -0.03272(16) 0.24804(12) 0.0162(4) Uani 1 1 d . . . . .
H11A H 0.0409 -0.0661 0.1956 0.019 Uiso 1 1 calc R U . . .
H11B H -0.0302 -0.0950 0.2795 0.019 Uiso 1 1 calc R U . . .
C12 C -0.0860(2) 0.05187(19) 0.21828(14) 0.0298(5) Uani 1 1 d . . . . .
H12A H -0.1280 0.0776 0.2687 0.045 Uiso 1 1 calc R U . . .
H12B H -0.1406 0.0154 0.1761 0.045 Uiso 1 1 calc R U . . .
H12C H -0.0497 0.1172 0.1909 0.045 Uiso 1 1 calc R U . . .
C1 C 0.34197(16) 0.24332(17) 0.43459(12) 0.0180(4) Uani 1 1 d . . . . .
H1A H 0.3737 0.1692 0.4167 0.022 Uiso 1 1 calc R U . . .
H1B H 0.3143 0.2834 0.3809 0.022 Uiso 1 1 calc R U . . .
C2 C 0.44213(17) 0.31290(19) 0.47805(13) 0.0240(4) Uani 1 1 d . . . . .
H2A H 0.4132 0.3878 0.4944 0.036 Uiso 1 1 calc R U . . .
H2B H 0.5043 0.3220 0.4371 0.036 Uiso 1 1 calc R U . . .
H2C H 0.4727 0.2732 0.5303 0.036 Uiso 1 1 calc R U . . .
C3 C 0.28016(16) 0.16371(16) 0.60403(12) 0.0174(4) Uani 1 1 d . . . . .
H3A H 0.3310 0.2236 0.6303 0.021 Uiso 1 1 calc R U . . .
H3B H 0.2169 0.1498 0.6442 0.021 Uiso 1 1 calc R U . . .
C4 C 0.35144(17) 0.05492(17) 0.59681(13) 0.0218(4) Uani 1 1 d . . . . .
H4A H 0.3018 -0.0056 0.5719 0.033 Uiso 1 1 calc R U . . .
H4B H 0.3819 0.0322 0.6549 0.033 Uiso 1 1 calc R U . . .
H4C H 0.4163 0.0684 0.5590 0.033 Uiso 1 1 calc R U . . .
C5 C 0.16666(17) 0.35969(16) 0.52706(13) 0.0191(4) Uani 1 1 d . . . . .
H5A H 0.2335 0.4020 0.5539 0.023 Uiso 1 1 calc R U . . .
H5B H 0.1429 0.3987 0.4720 0.023 Uiso 1 1 calc R U . . .
C6 C 0.0660(2) 0.36669(18) 0.58828(15) 0.0275(5) Uani 1 1 d . . . . .
H6A H -0.0012 0.3252 0.5627 0.041 Uiso 1 1 calc R U . . .
H6B H 0.0447 0.4464 0.5967 0.041 Uiso 1 1 calc R U . . .
H6C H 0.0897 0.3329 0.6447 0.041 Uiso 1 1 calc R U . . .
C13 C 0.00673(16) 0.23617(15) 0.37875(12) 0.0150(4) Uani 1 1 d . . . . .
C14 C -0.09564(17) 0.28821(15) 0.36788(12) 0.0171(4) Uani 1 1 d . . . . .
C15 C -0.20736(17) 0.26542(17) 0.40860(13) 0.0199(4) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Rh1 O2 1.9988(13) . ?
Rh1 C13 1.9999(19) . ?
Rh1 O1 2.0954(12) 3_556 ?
Rh1 O1 2.1542(12) . ?
Rh1 P1 2.2900(5) . ?
Rh1 P2 2.3411(5) . ?
P1 C3 1.8289(19) . ?
P1 C5 1.834(2) . ?
P1 C1 1.8350(19) . ?
P2 C7 1.8318(18) . ?
P2 C11 1.8394(19) . ?
P2 C9 1.8416(19) . ?
F1 C13 1.400(2) . ?
F2 C14 1.372(2) . ?
F3 C15 1.327(2) . ?
F4 C15 1.353(2) . ?
F5 C15 1.349(2) . ?
O1 O2 1.4702(17) . ?
O1 Rh1 2.0954(12) 3_556 ?
C7 C8 1.525(3) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.524(3) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.521(3) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C1 C2 1.540(3) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 C4 1.528(3) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C6 1.528(3) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C13 C14 1.331(3) . ?
C14 C15 1.480(3) . ?

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
O2 Rh1 C13 109.93(6) . . ?
O2 Rh1 O1 85.26(5) . 3_556 ?
C13 Rh1 O1 99.79(6) . 3_556 ?
O2 Rh1 O1 41.25(5) . . ?
C13 Rh1 O1 150.90(6) . . ?
O1 Rh1 O1 77.42(5) 3_556 . ?
O2 Rh1 P1 81.20(4) . . ?
C13 Rh1 P1 87.99(5) . . ?
O1 Rh1 P1 166.07(4) 3_556 . ?
O1 Rh1 P1 90.15(3) . . ?
O2 Rh1 P2 160.71(4) . . ?
C13 Rh1 P2 88.36(5) . . ?
O1 Rh1 P2 85.59(4) 3_556 . ?
O1 Rh1 P2 119.91(4) . . ?
P1 Rh1 P2 106.315(18) . . ?
C3 P1 C5 103.62(9) . . ?
C3 P1 C1 103.94(9) . . ?
C5 P1 C1 102.92(9) . . ?
C3 P1 Rh1 111.89(6) . . ?
C5 P1 Rh1 112.26(7) . . ?
C1 P1 Rh1 120.50(6) . . ?
C7 P2 C11 99.88(9) . . ?
C7 P2 C9 103.27(9) . . ?
C11 P2 C9 102.56(9) . . ?
C7 P2 Rh1 115.20(7) . . ?
C11 P2 Rh1 113.42(6) . . ?
C9 P2 Rh1 119.90(6) . . ?
O2 O1 Rh1 101.94(8) . 3_556 ?
O2 O1 Rh1 63.70(7) . . ?
Rh1 O1 Rh1 102.58(5) 3_556 . ?
O1 O2 Rh1 75.05(7) . . ?
C8 C7 P2 115.44(13) . . ?
C8 C7 H7A 108.4 . . ?
P2 C7 H7A 108.4 . . ?
C8 C7 H7B 108.4 . . ?
P2 C7 H7B 108.4 . . ?
H7A C7 H7B 107.5 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 P2 117.07(14) . . ?
C10 C9 H9A 108.0 . . ?
P2 C9 H9A 108.0 . . ?
C10 C9 H9B 108.0 . . ?
P2 C9 H9B 108.0 . . ?
H9A C9 H9B 107.3 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 P2 116.44(14) . . ?
C12 C11 H11A 108.2 . . ?
P2 C11 H11A 108.2 . . ?
C12 C11 H11B 108.2 . . ?
P2 C11 H11B 108.2 . . ?
H11A C11 H11B 107.3 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C2 C1 P1 116.59(14) . . ?
C2 C1 H1A 108.1 . . ?
P1 C1 H1A 108.1 . . ?
C2 C1 H1B 108.1 . . ?
P1 C1 H1B 108.1 . . ?
H1A C1 H1B 107.3 . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C4 C3 P1 114.66(13) . . ?
C4 C3 H3A 108.6 . . ?
P1 C3 H3A 108.6 . . ?
C4 C3 H3B 108.6 . . ?
P1 C3 H3B 108.6 . . ?
H3A C3 H3B 107.6 . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C6 C5 P1 115.96(14) . . ?
C6 C5 H5A 108.3 . . ?
P1 C5 H5A 108.3 . . ?
C6 C5 H5B 108.3 . . ?
P1 C5 H5B 108.3 . . ?
H5A C5 H5B 107.4 . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C14 C13 F1 109.14(16) . . ?
C14 C13 Rh1 135.04(14) . . ?
F1 C13 Rh1 115.82(12) . . ?
C13 C14 F2 121.45(17) . . ?
C13 C14 C15 130.11(17) . . ?
F2 C14 C15 108.43(16) . . ?
F3 C15 F5 107.72(16) . . ?
F3 C15 F4 107.32(16) . . ?
F5 C15 F4 104.78(15) . . ?
F3 C15 C14 112.69(16) . . ?
F5 C15 C14 112.64(16) . . ?
F4 C15 C14 111.24(16) . . ?

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
Rh1 O1 O2 Rh1 -98.27(5) 3_556 . . . ?
C11 P2 C7 C8 164.74(15) . . . . ?
C9 P2 C7 C8 59.20(16) . . . . ?
Rh1 P2 C7 C8 -73.41(15) . . . . ?
C7 P2 C9 C10 48.22(18) . . . . ?
C11 P2 C9 C10 -55.26(18) . . . . ?
Rh1 P2 C9 C10 178.03(13) . . . . ?
C7 P2 C11 C12 -177.85(16) . . . . ?
C9 P2 C11 C12 -71.74(17) . . . . ?
Rh1 P2 C11 C12 59.03(16) . . . . ?
C3 P1 C1 C2 -49.17(17) . . . . ?
C5 P1 C1 C2 58.64(17) . . . . ?
Rh1 P1 C1 C2 -175.48(12) . . . . ?
C5 P1 C3 C4 -167.68(14) . . . . ?
C1 P1 C3 C4 -60.39(16) . . . . ?
Rh1 P1 C3 C4 71.16(15) . . . . ?
C3 P1 C5 C6 -67.64(17) . . . . ?
C1 P1 C5 C6 -175.70(15) . . . . ?
Rh1 P1 C5 C6 53.27(17) . . . . ?
F1 C13 C14 F2 3.8(2) . . . . ?
Rh1 C13 C14 F2 -177.18(13) . . . . ?
F1 C13 C14 C15 -176.94(18) . . . . ?
Rh1 C13 C14 C15 2.1(3) . . . . ?
C13 C14 C15 F3 6.5(3) . . . . ?
F2 C14 C15 F3 -174.16(14) . . . . ?
C13 C14 C15 F5 -115.6(2) . . . . ?
F2 C14 C15 F5 63.7(2) . . . . ?
C13 C14 C15 F4 127.1(2) . . . . ?
F2 C14 C15 F4 -53.6(2) . . . . ?

_refine_diff_density_max         0.672
_refine_diff_density_min         -0.577
_refine_diff_density_rms         0.073

_shelxl_version_number           2013-4

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ta136_wh1_complex14b
_database_code_depnum_ccdc_archive 'CCDC 1438406'
_audit_update_record             
;
2015-11-23 deposited with the CCDC.
2016-02-02 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C30 H60 F10 O4 P4 Rh2'
_chemical_formula_sum            'C30 H60 F10 O4 P4 Rh2'
_chemical_formula_weight         1004.48

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'
F F 0.0171 0.0103 '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'
P P 0.1023 0.0942 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   10.3168(5)
_cell_length_b                   18.2065(9)
_cell_length_c                   11.2497(6)
_cell_angle_alpha                90
_cell_angle_beta                 95.380(2)
_cell_angle_gamma                90
_cell_volume                     2103.75(18)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9974
_cell_measurement_theta_min      2.56
_cell_measurement_theta_max      25.04


_exptl_crystal_description       'elongated thin plate'
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.586
_exptl_crystal_F_000             1024
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.310
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.010
_exptl_absorpt_coefficient_mu    1.012
_shelx_estimated_absorpt_T_min   0.744
_shelx_estimated_absorpt_T_max   0.990
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  .6544
_exptl_absorpt_correction_T_max  .7452
_exptl_absorpt_process_details   'Bruker D8 VENTURE'


_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            29343
_diffrn_reflns_av_unetI/netI     0.0260
_diffrn_reflns_av_R_equivalents  0.0488
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         2.562
_diffrn_reflns_theta_max         25.091
_diffrn_reflns_theta_full        25.000
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             3730
_reflns_number_gt                3184
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0292P)²+0.5605P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         3730
_refine_ls_number_parameters     232
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0334
_refine_ls_R_factor_gt           0.0232
_refine_ls_wR_factor_ref         0.0549
_refine_ls_wR_factor_gt          0.0517
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_restrained_S_all      1.063
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.00043(2) 0.48348(2) 0.14473(2) 0.00870(7) Uani 1 1 d . . . . .
P1 P -0.20151(6) 0.52271(3) 0.20219(5) 0.01226(14) Uani 1 1 d . . . . .
P2 P 0.04258(6) 0.37589(3) 0.24593(5) 0.01078(14) Uani 1 1 d . . . . .
F1 F 0.04677(13) 0.51927(7) 0.39619(11) 0.0150(3) Uani 1 1 d . . . . .
F2 F 0.22481(14) 0.61421(8) 0.40751(11) 0.0219(3) Uani 1 1 d . . . . .
F3 F 0.23562(14) 0.58890(8) 0.10048(11) 0.0215(3) Uani 1 1 d . . . . .
F4 F 0.38546(14) 0.61984(8) 0.23676(12) 0.0242(3) Uani 1 1 d . . . . .
F5 F 0.22453(14) 0.69225(8) 0.19154(12) 0.0233(3) Uani 1 1 d . . . . .
O1 O 0.01416(15) 0.42880(8) -0.02358(12) 0.0115(3) Uani 1 1 d . . . . .
O2 O 0.13760(15) 0.44469(9) 0.04661(13) 0.0122(3) Uani 1 1 d . . . . .
C1 C -0.3446(2) 0.48461(14) 0.1161(2) 0.0176(5) Uani 1 1 d . . . . .
H1A H -0.4224 0.5118 0.1368 0.021 Uiso 1 1 calc R U . . .
H1B H -0.3360 0.4930 0.0302 0.021 Uiso 1 1 calc R U . . .
C2 C -0.3669(3) 0.40302(14) 0.1352(2) 0.0248(6) Uani 1 1 d . . . . .
H2A H -0.2895 0.3755 0.1172 0.037 Uiso 1 1 calc R U . . .
H2B H -0.4422 0.3866 0.0823 0.037 Uiso 1 1 calc R U . . .
H2C H -0.3834 0.3944 0.2185 0.037 Uiso 1 1 calc R U . . .
C3 C -0.2398(2) 0.51044(15) 0.3576(2) 0.0194(6) Uani 1 1 d . . . . .
H3A H -0.2316 0.4576 0.3773 0.023 Uiso 1 1 calc R U . . .
H3B H -0.1729 0.5368 0.4102 0.023 Uiso 1 1 calc R U . . .
C4 C -0.3730(2) 0.53616(15) 0.3885(2) 0.0214(6) Uani 1 1 d . . . . .
H4A H -0.3798 0.5895 0.3780 0.032 Uiso 1 1 calc R U . . .
H4B H -0.3840 0.5236 0.4716 0.032 Uiso 1 1 calc R U . . .
H4C H -0.4410 0.5120 0.3357 0.032 Uiso 1 1 calc R U . . .
C5 C -0.2314(2) 0.62089(13) 0.1765(2) 0.0185(6) Uani 1 1 d . . . . .
H5A H -0.2324 0.6305 0.0898 0.022 Uiso 1 1 calc R U . . .
H5B H -0.3192 0.6326 0.2000 0.022 Uiso 1 1 calc R U . . .
C6 C -0.1341(3) 0.67313(15) 0.2422(3) 0.0346(7) Uani 1 1 d . . . . .
H6A H -0.1271 0.6621 0.3278 0.052 Uiso 1 1 calc R U . . .
H6B H -0.1639 0.7239 0.2293 0.052 Uiso 1 1 calc R U . . .
H6C H -0.0488 0.6671 0.2119 0.052 Uiso 1 1 calc R U . . .
C7 C -0.0618(2) 0.34577(13) 0.3594(2) 0.0160(5) Uani 1 1 d . . . . .
H7A H -0.0596 0.3840 0.4221 0.019 Uiso 1 1 calc R U . . .
H7B H -0.1524 0.3431 0.3218 0.019 Uiso 1 1 calc R U . . .
C8 C -0.0284(3) 0.27187(13) 0.4201(2) 0.0206(6) Uani 1 1 d . . . . .
H8A H -0.0289 0.2332 0.3594 0.031 Uiso 1 1 calc R U . . .
H8B H -0.0931 0.2604 0.4759 0.031 Uiso 1 1 calc R U . . .
H8C H 0.0582 0.2747 0.4639 0.031 Uiso 1 1 calc R U . . .
C9 C 0.0500(2) 0.29779(13) 0.1447(2) 0.0155(5) Uani 1 1 d . . . . .
H9A H 0.1040 0.3119 0.0801 0.019 Uiso 1 1 calc R U . . .
H9B H 0.0951 0.2568 0.1893 0.019 Uiso 1 1 calc R U . . .
C10 C -0.0802(3) 0.26975(14) 0.0879(2) 0.0210(6) Uani 1 1 d . . . . .
H10A H -0.1344 0.2547 0.1506 0.031 Uiso 1 1 calc R U . . .
H10B H -0.0658 0.2276 0.0366 0.031 Uiso 1 1 calc R U . . .
H10C H -0.1243 0.3089 0.0399 0.031 Uiso 1 1 calc R U . . .
C11 C 0.2036(2) 0.37501(13) 0.3290(2) 0.0159(5) Uani 1 1 d . . . . .
H11A H 0.2049 0.4128 0.3924 0.019 Uiso 1 1 calc R U . . .
H11B H 0.2160 0.3267 0.3689 0.019 Uiso 1 1 calc R U . . .
C12 C 0.3194(2) 0.38870(15) 0.2564(2) 0.0232(6) Uani 1 1 d . . . . .
H12A H 0.3215 0.3508 0.1948 0.035 Uiso 1 1 calc R U . . .
H12B H 0.4003 0.3869 0.3095 0.035 Uiso 1 1 calc R U . . .
H12C H 0.3106 0.4371 0.2186 0.035 Uiso 1 1 calc R U . . .
C13 C 0.0880(2) 0.53625(13) 0.28512(19) 0.0116(5) Uani 1 1 d . . . . .
C14 C 0.1836(2) 0.58483(13) 0.29733(19) 0.0145(5) Uani 1 1 d . . . . .
C15 C 0.2556(2) 0.62047(13) 0.2066(2) 0.0164(5) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Rh1 C13 1.991(2) . ?
Rh1 O2 2.0031(15) . ?
Rh1 O1 2.0957(15) 3_565 ?
Rh1 O1 2.1556(14) . ?
Rh1 P2 2.2868(6) . ?
Rh1 P1 2.3497(6) . ?
P1 C1 1.825(2) . ?
P1 C5 1.832(2) . ?
P1 C3 1.842(2) . ?
P2 C11 1.828(2) . ?
P2 C9 1.828(2) . ?
P2 C7 1.830(2) . ?
F1 C13 1.392(2) . ?
F2 C14 1.380(3) . ?
F3 C15 1.324(3) . ?
F4 C15 1.351(3) . ?
F5 C15 1.352(3) . ?
O1 O2 1.463(2) . ?
O1 Rh1 2.0957(15) 3_565 ?
C1 C2 1.522(3) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 C4 1.522(3) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C6 1.523(4) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C8 1.533(3) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.521(3) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.529(3) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.323(3) . ?
C14 C15 1.469(3) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C13 Rh1 O2 108.41(8) . . ?
C13 Rh1 O1 98.49(8) . 3_565 ?
O2 Rh1 O1 85.51(6) . 3_565 ?
C13 Rh1 O1 149.00(8) . . ?
O2 Rh1 O1 40.99(6) . . ?
O1 Rh1 O1 77.72(6) 3_565 . ?
C13 Rh1 P2 88.14(7) . . ?
O2 Rh1 P2 82.02(5) . . ?
O1 Rh1 P2 167.22(4) 3_565 . ?
O1 Rh1 P2 90.95(4) . . ?
C13 Rh1 P1 89.03(7) . . ?
O2 Rh1 P1 161.65(5) . . ?
O1 Rh1 P1 86.32(4) 3_565 . ?
O1 Rh1 P1 121.00(4) . . ?
P2 Rh1 P1 104.81(2) . . ?
C1 P1 C5 99.87(12) . . ?
C1 P1 C3 102.89(11) . . ?
C5 P1 C3 102.70(11) . . ?
C1 P1 Rh1 115.61(8) . . ?
C5 P1 Rh1 113.18(8) . . ?
C3 P1 Rh1 119.94(8) . . ?
C11 P2 C9 102.85(11) . . ?
C11 P2 C7 101.94(11) . . ?
C9 P2 C7 105.29(11) . . ?
C11 P2 Rh1 112.54(8) . . ?
C9 P2 Rh1 111.91(8) . . ?
C7 P2 Rh1 120.46(8) . . ?
O2 O1 Rh1 101.89(10) . 3_565 ?
O2 O1 Rh1 63.90(8) . . ?
Rh1 O1 Rh1 102.28(6) 3_565 . ?
O1 O2 Rh1 75.11(9) . . ?
C2 C1 P1 114.94(18) . . ?
C2 C1 H1A 108.5 . . ?
P1 C1 H1A 108.5 . . ?
C2 C1 H1B 108.5 . . ?
P1 C1 H1B 108.5 . . ?
H1A C1 H1B 107.5 . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C4 C3 P1 117.27(17) . . ?
C4 C3 H3A 108.0 . . ?
P1 C3 H3A 108.0 . . ?
C4 C3 H3B 108.0 . . ?
P1 C3 H3B 108.0 . . ?
H3A C3 H3B 107.2 . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C6 C5 P1 116.08(19) . . ?
C6 C5 H5A 108.3 . . ?
P1 C5 H5A 108.3 . . ?
C6 C5 H5B 108.3 . . ?
P1 C5 H5B 108.3 . . ?
H5A C5 H5B 107.4 . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C8 C7 P2 116.80(17) . . ?
C8 C7 H7A 108.1 . . ?
P2 C7 H7A 108.1 . . ?
C8 C7 H7B 108.1 . . ?
P2 C7 H7B 108.1 . . ?
H7A C7 H7B 107.3 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 P2 115.83(18) . . ?
C10 C9 H9A 108.3 . . ?
P2 C9 H9A 108.3 . . ?
C10 C9 H9B 108.3 . . ?
P2 C9 H9B 108.3 . . ?
H9A C9 H9B 107.4 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 P2 116.33(17) . . ?
C12 C11 H11A 108.2 . . ?
P2 C11 H11A 108.2 . . ?
C12 C11 H11B 108.2 . . ?
P2 C11 H11B 108.2 . . ?
H11A C11 H11B 107.4 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 F1 110.06(19) . . ?
C14 C13 Rh1 133.11(17) . . ?
F1 C13 Rh1 116.79(15) . . ?
C13 C14 F2 121.1(2) . . ?
C13 C14 C15 130.1(2) . . ?
F2 C14 C15 108.65(19) . . ?
F3 C15 F4 106.86(19) . . ?
F3 C15 F5 106.94(19) . . ?
F4 C15 F5 104.93(19) . . ?
F3 C15 C14 112.9(2) . . ?
F4 C15 C14 112.08(19) . . ?
F5 C15 C14 112.6(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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rh1 O1 O2 Rh1 97.98(7) 3_565 . . . ?
C5 P1 C1 C2 -168.98(18) . . . . ?
C3 P1 C1 C2 -63.4(2) . . . . ?
Rh1 P1 C1 C2 69.24(19) . . . . ?
C1 P1 C3 C4 -49.2(2) . . . . ?
C5 P1 C3 C4 54.2(2) . . . . ?
Rh1 P1 C3 C4 -179.23(16) . . . . ?
C1 P1 C5 C6 176.3(2) . . . . ?
C3 P1 C5 C6 70.6(2) . . . . ?
Rh1 P1 C5 C6 -60.2(2) . . . . ?
C11 P2 C7 C8 -56.3(2) . . . . ?
C9 P2 C7 C8 50.8(2) . . . . ?
Rh1 P2 C7 C8 178.32(15) . . . . ?
C11 P2 C9 C10 163.07(17) . . . . ?
C7 P2 C9 C10 56.7(2) . . . . ?
Rh1 P2 C9 C10 -75.90(18) . . . . ?
C9 P2 C11 C12 63.8(2) . . . . ?
C7 P2 C11 C12 172.79(18) . . . . ?
Rh1 P2 C11 C12 -56.8(2) . . . . ?
F1 C13 C14 F2 -3.2(3) . . . . ?
Rh1 C13 C14 F2 178.87(16) . . . . ?
F1 C13 C14 C15 -178.3(2) . . . . ?
Rh1 C13 C14 C15 3.8(4) . . . . ?
C13 C14 C15 F3 -13.1(4) . . . . ?
F2 C14 C15 F3 171.33(19) . . . . ?
C13 C14 C15 F4 -133.8(3) . . . . ?
F2 C14 C15 F4 50.6(3) . . . . ?
C13 C14 C15 F5 108.1(3) . . . . ?
F2 C14 C15 F5 -67.4(2) . . . . ?

_refine_diff_density_max         0.557
_refine_diff_density_min         -0.488
_refine_diff_density_rms         0.070

_shelxl_version_number           2013-4

