#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:24:16 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179139 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/00/4310010.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4310010
loop_
_publ_author_name
'F. Albert Cotton'
'Carlos A. Murillo'
'Salah E. Stiriba'
'Xiaoping Wang'
'Rongmin Yu'
_publ_section_title
;
Chiral Organometallic Triangles with Rh-Rh Bonds. 2. Compounds Prepared
from Enantiopure cis-Rh2(C6H4PPh2)2(OAc)2(HOAc)2 and Their Catalytic
Potentials
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8223
_journal_page_last               8233
_journal_paper_doi               10.1021/ic051282c
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety
'C172 H132 N4 O12 P6 Cl4 Rh6, 7(C H4 O), 5(C H2 Cl2)'
_chemical_formula_sum            'C184 H170 Cl14 N4 O19 P6 Rh6'
_chemical_formula_weight         4040.82
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           20
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'C 2c 2'
_symmetry_space_group_name_H-M   'C 2 2 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.069(2)
_cell_length_b                   36.637(3)
_cell_length_c                   22.2568(19)
_cell_measurement_reflns_used    7479
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      22.55
_cell_measurement_theta_min      2.22
_cell_volume                     19626(3)
_computing_cell_refinement       SAINT
_computing_data_collection       SMART
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Siemens, 1996)'
_computing_publication_material  CIFTAB
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 0
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker SMART 1000'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0657
_diffrn_reflns_av_sigmaI/netI    0.0655
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       39
_diffrn_reflns_limit_k_min       -39
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            41234
_diffrn_reflns_theta_full        22.55
_diffrn_reflns_theta_max         22.55
_diffrn_reflns_theta_min         1.69
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.791
_exptl_absorpt_correction_T_max  0.8148
_exptl_absorpt_correction_T_min  0.7859
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.368
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             8208
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.27
_refine_diff_density_max         1.798
_refine_diff_density_min         -0.795
_refine_diff_density_rms         0.143
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.03(5)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.101
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1084
_refine_ls_number_reflns         12879
_refine_ls_number_restraints     11
_refine_ls_restrained_S_all      1.101
_refine_ls_R_factor_all          0.0819
_refine_ls_R_factor_gt           0.0611
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0908P)²+131.4473P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1567
_refine_ls_wR_factor_ref         0.1758
_reflns_number_gt                10798
_reflns_number_total             12879
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic051282csi20050729_010330_07.cif
_cod_data_source_block           RRR5
_cod_database_code               4310010
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x, y, -z+1/2'
'x, -y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh -0.87867(3) -0.21232(2) 1.04197(4) 0.0312(2) Uani 1 1 d . . .
Rh2 Rh -0.86521(3) -0.20539(2) 0.93013(4) 0.0333(2) Uani 1 1 d . A .
Rh3 Rh -1.42540(3) 0.00603(2) 0.94406(4) 0.0313(2) Uani 1 1 d . . .
P1 P -0.78902(11) -0.22315(7) 1.04811(14) 0.0349(6) Uani 1 1 d . A .
P2 P -0.89810(11) -0.26080(7) 0.91912(13) 0.0353(7) Uani 1 1 d . . .
P3 P -1.49776(11) 0.04228(7) 0.95644(14) 0.0349(7) Uani 1 1 d . . .
O1 O -0.9648(3) -0.2020(2) 1.0251(4) 0.0442(19) Uani 1 1 d . A .
O2 O -0.9452(3) -0.1789(2) 0.9343(4) 0.048(2) Uani 1 1 d . . .
O3 O -1.3519(3) -0.02752(19) 0.9406(4) 0.0410(18) Uani 1 1 d . A .
O4 O -1.3669(3) 0.04975(19) 0.9686(3) 0.0432(18) Uani 1 1 d . . .
O5 O -0.8707(3) -0.15274(16) 1.0389(3) 0.0384(17) Uani 1 1 d . A .
O6 O -0.8330(3) -0.15277(18) 0.9477(4) 0.0457(19) Uani 1 1 d . . .
N2 N -1.4011(4) 0.0233(3) 0.8505(5) 0.045(2) Uani 1 1 d . . .
C1 C -0.7604(4) -0.2374(3) 0.9777(5) 0.037(3) Uani 1 1 d . . .
C2 C -0.7893(4) -0.2269(3) 0.9276(5) 0.032(2) Uani 1 1 d . A .
C3 C -0.7629(5) -0.2325(4) 0.8708(6) 0.054(3) Uani 1 1 d . . .
H3A H -0.7810 -0.2250 0.8349 0.064 Uiso 1 1 calc R A .
C4 C -0.7099(5) -0.2490(4) 0.8677(6) 0.061(4) Uani 1 1 d . A .
H4A H -0.6916 -0.2512 0.8301 0.074 Uiso 1 1 calc R . .
C5 C -0.6850(5) -0.2615(4) 0.9179(6) 0.057(4) Uani 1 1 d . . .
H5A H -0.6515 -0.2752 0.9145 0.068 Uiso 1 1 calc R A .
C6 C -0.7073(5) -0.2550(3) 0.9743(6) 0.051(3) Uani 1 1 d . A .
H6A H -0.6879 -0.2620 1.0097 0.062 Uiso 1 1 calc R . .
C7 C -0.7625(4) -0.2572(3) 1.1014(5) 0.039(3) Uani 1 1 d . . .
C8 C -0.7682(5) -0.2934(4) 1.0885(6) 0.054(3) Uani 1 1 d . A .
H8A H -0.7842 -0.3004 1.0512 0.064 Uiso 1 1 calc R . .
C9 C -0.7511(5) -0.3209(4) 1.1290(7) 0.060(4) Uani 1 1 d . . .
H9A H -0.7558 -0.3461 1.1200 0.072 Uiso 1 1 calc R A .
C10 C -0.7276(6) -0.3097(5) 1.1815(8) 0.090(6) Uani 1 1 d . A .
H10A H -0.7152 -0.3275 1.2094 0.107 Uiso 1 1 calc R . .
C11 C -0.7213(6) -0.2724(4) 1.1956(7) 0.070(4) Uani 1 1 d . . .
H11A H -0.7049 -0.2653 1.2327 0.084 Uiso 1 1 calc R A .
C12 C -0.7383(5) -0.2473(3) 1.1567(6) 0.050(3) Uani 1 1 d . A .
H12A H -0.7342 -0.2221 1.1664 0.061 Uiso 1 1 calc R . .
C13 C -0.7506(3) -0.18166(18) 1.0680(4) 0.046(3) Uani 1 1 d G . .
C14 C -0.7016(3) -0.1724(2) 1.0387(4) 0.060(4) Uani 1 1 d G A .
H14A H -0.6880 -0.1873 1.0071 0.072 Uiso 1 1 calc R . .
C15 C -0.6726(3) -0.1412(2) 1.0557(4) 0.076(4) Uani 1 1 d G A .
H15A H -0.6391 -0.1349 1.0357 0.091 Uiso 1 1 calc R . .
C16 C -0.6926(4) -0.11938(19) 1.1020(4) 0.071(4) Uani 1 1 d G A .
H16A H -0.6728 -0.0981 1.1136 0.085 Uiso 1 1 calc R . .
C17 C -0.7416(4) -0.1287(2) 1.1312(3) 0.060(4) Uani 1 1 d G A .
H17A H -0.7553 -0.1138 1.1629 0.072 Uiso 1 1 calc R . .
C18 C -0.7706(3) -0.1598(2) 1.1143(3) 0.051(3) Uani 1 1 d G A .
H18A H -0.8041 -0.1662 1.1343 0.061 Uiso 1 1 calc R . .
C19 C -0.8964(4) -0.2862(3) 0.9876(5) 0.036(2) Uani 1 1 d . A .
C20 C -0.8921(3) -0.2668(3) 1.0416(5) 0.032(3) Uani 1 1 d . A .
C21 C -0.8982(4) -0.2866(3) 1.0953(5) 0.044(3) Uani 1 1 d . . .
H21A H -0.8965 -0.2739 1.1325 0.052 Uiso 1 1 calc R A .
C22 C -0.9065(5) -0.3235(3) 1.0957(6) 0.054(3) Uani 1 1 d . A .
H22A H -0.9112 -0.3359 1.1329 0.065 Uiso 1 1 calc R . .
C23 C -0.9081(5) -0.3436(3) 1.0415(6) 0.054(3) Uani 1 1 d . . .
H23A H -0.9119 -0.3694 1.0416 0.065 Uiso 1 1 calc R A .
C24 C -0.9038(5) -0.3243(3) 0.9879(6) 0.053(3) Uani 1 1 d . A .
H24A H -0.9059 -0.3370 0.9509 0.063 Uiso 1 1 calc R . .
C25 C -0.8643(4) -0.2892(3) 0.8632(5) 0.039(3) Uani 1 1 d . A .
C26 C -0.8799(5) -0.2899(3) 0.8035(5) 0.049(3) Uani 1 1 d . . .
H26A H -0.9102 -0.2755 0.7899 0.059 Uiso 1 1 calc R A .
C27 C -0.8505(6) -0.3120(3) 0.7632(6) 0.053(3) Uani 1 1 d . A .
H27A H -0.8618 -0.3124 0.7223 0.064 Uiso 1 1 calc R . .
C28 C -0.8066(6) -0.3329(3) 0.7799(7) 0.064(4) Uani 1 1 d . . .
H28A H -0.7862 -0.3467 0.7512 0.077 Uiso 1 1 calc R A .
C29 C -0.7926(6) -0.3334(4) 0.8395(7) 0.069(4) Uani 1 1 d . A .
H29A H -0.7636 -0.3490 0.8530 0.082 Uiso 1 1 calc R . .
C30 C -0.8205(6) -0.3112(4) 0.8808(6) 0.060(4) Uani 1 1 d . . .
H30A H -0.8092 -0.3112 0.9217 0.072 Uiso 1 1 calc R A .
C31 C -0.9720(2) -0.2611(2) 0.8963(4) 0.049(3) Uani 1 1 d G A .
C32 C -1.0113(4) -0.2824(2) 0.9258(4) 0.067(4) Uani 1 1 d G . .
H32A H -1.0001 -0.2983 0.9572 0.080 Uiso 1 1 calc R A .
C33 C -1.0669(3) -0.2804(3) 0.9092(5) 0.091(5) Uani 1 1 d G A .
H33A H -1.0937 -0.2950 0.9293 0.110 Uiso 1 1 calc R . .
C34 C -1.0832(3) -0.2571(3) 0.8632(5) 0.105(7) Uani 1 1 d G . .
H34A H -1.1212 -0.2558 0.8519 0.126 Uiso 1 1 calc R A .
C35 C -1.0440(4) -0.2358(3) 0.8338(4) 0.094(6) Uani 1 1 d G A .
H35A H -1.0551 -0.2199 0.8023 0.113 Uiso 1 1 calc R . .
C36 C -0.9884(4) -0.2378(2) 0.8503(4) 0.069(4) Uani 1 1 d G . .
H36A H -0.9615 -0.2232 0.8302 0.083 Uiso 1 1 calc R A .
C37 C -1.4971(4) 0.0603(3) 1.0336(5) 0.036(3) Uani 1 1 d . . .
C38 C -1.4693(4) 0.0395(3) 1.0756(5) 0.034(2) Uani 1 1 d . . .
C39 C -1.4675(5) 0.0536(3) 1.1347(5) 0.044(3) Uani 1 1 d . . .
H39A H -1.4488 0.0404 1.1653 0.053 Uiso 1 1 calc R . .
C40 C -1.4920(6) 0.0855(4) 1.1478(6) 0.062(4) Uani 1 1 d . . .
H40A H -1.4909 0.0942 1.1880 0.075 Uiso 1 1 calc R . .
C41 C -1.5186(6) 0.1061(3) 1.1051(7) 0.065(4) Uani 1 1 d . . .
H41A H -1.5356 0.1286 1.1155 0.078 Uiso 1 1 calc R . .
C42 C -1.5200(5) 0.0936(3) 1.0479(6) 0.045(3) Uani 1 1 d . . .
H42A H -1.5370 0.1079 1.0174 0.054 Uiso 1 1 calc R . .
C43 C -1.4972(5) 0.0831(3) 0.9080(5) 0.035(3) Uani 1 1 d . . .
C44 C -1.5432(5) 0.0973(3) 0.8835(6) 0.056(3) Uani 1 1 d . . .
H44A H -1.5784 0.0874 0.8939 0.068 Uiso 1 1 calc R . .
C45 C -1.5403(6) 0.1271(3) 0.8419(8) 0.073(5) Uani 1 1 d . . .
H45A H -1.5730 0.1367 0.8240 0.087 Uiso 1 1 calc R . .
C46 C -1.4896(7) 0.1412(3) 0.8285(7) 0.064(4) Uani 1 1 d . . .
H46A H -1.4872 0.1612 0.8015 0.077 Uiso 1 1 calc R . .
C47 C -1.4424(6) 0.1276(3) 0.8528(5) 0.051(3) Uani 1 1 d . . .
H47A H -1.4075 0.1380 0.8427 0.061 Uiso 1 1 calc R . .
C48 C -1.4453(4) 0.0982(3) 0.8927(5) 0.044(3) Uani 1 1 d . . .
H48A H -1.4122 0.0884 0.9095 0.053 Uiso 1 1 calc R . .
C49 C -1.5695(4) 0.0277(3) 0.9429(6) 0.045(3) Uani 1 1 d . . .
C50 C -1.6135(5) 0.0418(3) 0.9750(6) 0.054(3) Uani 1 1 d . . .
H50A H -1.6067 0.0564 1.0095 0.065 Uiso 1 1 calc R . .
C51 C -1.6679(5) 0.0348(4) 0.9572(9) 0.077(5) Uani 1 1 d . . .
H51A H -1.6980 0.0450 0.9791 0.092 Uiso 1 1 calc R . .
C52 C -1.6781(6) 0.0133(5) 0.9085(9) 0.083(5) Uani 1 1 d . . .
H52A H -1.7154 0.0083 0.8973 0.099 Uiso 1 1 calc R . .
C53 C -1.6361(6) -0.0010(4) 0.8756(8) 0.075(4) Uani 1 1 d . . .
H53A H -1.6436 -0.0153 0.8409 0.090 Uiso 1 1 calc R . .
C54 C -1.5808(5) 0.0058(3) 0.8939(5) 0.046(3) Uani 1 1 d . . .
H54A H -1.5510 -0.0049 0.8721 0.055 Uiso 1 1 calc R . .
C55 C -0.9776(4) -0.1841(3) 0.9794(6) 0.038(3) Uani 1 1 d . A .
C56 C -1.0344(5) -0.1681(3) 0.9765(6) 0.045(3) Uani 1 1 d . . .
C57 C -1.0546(5) -0.1536(4) 0.9243(6) 0.059(4) Uani 1 1 d . A .
H57A H -1.0337 -0.1556 0.8883 0.070 Uiso 1 1 calc R . .
C58 C -1.1069(5) -0.1355(4) 0.9237(7) 0.067(4) Uani 1 1 d . . .
H58A H -1.1202 -0.1249 0.8875 0.081 Uiso 1 1 calc R A .
C59 C -1.1376(5) -0.1333(3) 0.9742(6) 0.053(3) Uani 1 1 d . A .
C60 C -1.1173(5) -0.1482(3) 1.0282(6) 0.056(3) Uani 1 1 d . . .
H60A H -1.1378 -0.1460 1.0645 0.067 Uiso 1 1 calc R A .
C61 C -1.0667(5) -0.1661(4) 1.0271(7) 0.061(4) Uani 1 1 d . A .
H61A H -1.0538 -0.1775 1.0629 0.073 Uiso 1 1 calc R . .
C62 C -1.1914(4) -0.1120(3) 0.9741(6) 0.045(3) Uani 1 1 d . . .
C63 C -1.1985(4) -0.0820(3) 0.9388(6) 0.056(3) Uani 1 1 d . A .
H63A H -1.1697 -0.0750 0.9121 0.067 Uiso 1 1 calc R . .
C64 C -1.2466(5) -0.0617(3) 0.9412(6) 0.059(4) Uani 1 1 d . . .
H64A H -1.2511 -0.0412 0.9155 0.070 Uiso 1 1 calc R A .
C65 C -1.2882(4) -0.0711(3) 0.9809(6) 0.045(3) Uani 1 1 d . A .
C66 C -1.2826(5) -0.1015(3) 1.0156(6) 0.053(3) Uani 1 1 d . . .
H66A H -1.3120 -0.1087 1.0414 0.063 Uiso 1 1 calc R A .
C67 C -1.2348(4) -0.1217(3) 1.0134(6) 0.045(3) Uani 1 1 d . A .
H67A H -1.2309 -0.1425 1.0386 0.054 Uiso 1 1 calc R . .
C68 C -1.3410(4) -0.0473(3) 0.9838(6) 0.042(3) Uani 1 1 d . . .
C69 C -0.8494(4) -0.1375(3) 0.9949(5) 0.032(2) Uani 1 1 d . A .
C70 C -0.8426(4) -0.0968(3) 0.9969(6) 0.039(3) Uani 1 1 d . . .
C71 C -0.8256(5) -0.0772(3) 0.9496(6) 0.051(3) Uani 1 1 d . A .
H71A H -0.8150 -0.0899 0.9142 0.062 Uiso 1 1 calc R . .
C72 C -0.8224(6) -0.0394(3) 0.9493(7) 0.063(4) Uani 1 1 d . . .
H72A H -0.8100 -0.0268 0.9145 0.075 Uiso 1 1 calc R A .
C73 C -0.8371(5) -0.0209(3) 0.9994(6) 0.055(3) Uani 1 1 d . . .
C74 C -0.8527(6) -0.0398(3) 1.0516(6) 0.058(3) Uani 1 1 d . . .
H74A H -0.8613 -0.0270 1.0876 0.070 Uiso 1 1 calc R A .
C75 C -0.8554(5) -0.0773(3) 1.0495(6) 0.049(3) Uani 1 1 d . A .
H75A H -0.8662 -0.0903 1.0845 0.059 Uiso 1 1 calc R . .
N1A N -0.9017(12) -0.2011(7) 1.1346(14) 0.039(4) Uani 0.65(6) 1 d PG A 1
C76A C -0.8793(14) -0.2186(7) 1.1844(16) 0.050(7) Uani 0.65(6) 1 d PG A 1
H76A H -0.8597 -0.2410 1.1796 0.060 Uiso 0.65(6) 1 calc PR A 1
C77A C -0.8854(18) -0.2035(11) 1.2413(14) 0.125(11) Uani 0.65(6) 1 d PG A 1
H77A H -0.8701 -0.2155 1.2753 0.150 Uiso 0.65(6) 1 calc PR A 1
C78A C -0.914(2) -0.1708(12) 1.2484(16) 0.28(3) Uani 0.65(6) 1 d PG A 1
H78A H -0.9183 -0.1605 1.2873 0.333 Uiso 0.65(6) 1 calc PR A 1
C79A C -0.936(2) -0.1533(9) 1.199(2) 0.118(18) Uani 0.65(6) 1 d PG A 1
H79A H -0.9560 -0.1310 1.2035 0.142 Uiso 0.65(6) 1 calc PR A 1
C80A C -0.9303(15) -0.1684(9) 1.1417(18) 0.046(7) Uani 0.65(6) 1 d PG A 1
H80A H -0.9456 -0.1564 1.1077 0.056 Uiso 0.65(6) 1 calc PR A 1
N1B N -0.894(2) -0.2015(15) 1.141(3) 0.039(4) Uani 0.35(6) 1 d PG A 2
C76B C -0.863(2) -0.2099(16) 1.192(3) 0.050(7) Uani 0.35(6) 1 d PG A 2
H76B H -0.8314 -0.2250 1.1884 0.060 Uiso 0.35(6) 1 calc PR A 2
C77B C -0.879(3) -0.196(2) 1.247(3) 0.125(11) Uani 0.35(6) 1 d PG A 2
H77B H -0.8579 -0.2019 1.2822 0.150 Uiso 0.35(6) 1 calc PR A 2
C78B C -0.926(4) -0.174(3) 1.252(3) 0.28(3) Uani 0.35(6) 1 d PG A 2
H78B H -0.9365 -0.1646 1.2902 0.333 Uiso 0.35(6) 1 calc PR A 2
C79B C -0.957(3) -0.166(2) 1.201(4) 0.118(18) Uani 0.35(6) 1 d PG A 2
H79B H -0.9886 -0.1505 1.2046 0.142 Uiso 0.35(6) 1 calc PR A 2
C80B C -0.941(2) -0.1794(18) 1.146(3) 0.046(7) Uani 0.35(6) 1 d PG A 2
H80B H -0.9621 -0.1736 1.1109 0.056 Uiso 0.35(6) 1 calc PR A 2
C81 C -1.4353(6) 0.0303(4) 0.8068(7) 0.063(4) Uani 1 1 d . . .
H81A H -1.4725 0.0220 0.8103 0.076 Uiso 1 1 calc R . .
C82 C -1.4204(7) 0.0494(4) 0.7547(6) 0.075(4) Uani 1 1 d . . .
H82A H -1.4469 0.0546 0.7243 0.089 Uiso 1 1 calc R . .
C83 C -1.3646(7) 0.0606(5) 0.7491(7) 0.082(5) Uani 1 1 d . . .
H83A H -1.3526 0.0733 0.7141 0.098 Uiso 1 1 calc R . .
C84 C -1.3289(6) 0.0534(5) 0.7928(6) 0.076(5) Uani 1 1 d . . .
H84A H -1.2913 0.0612 0.7895 0.091 Uiso 1 1 calc R . .
C85 C -1.3466(6) 0.0342(4) 0.8442(6) 0.064(4) Uani 1 1 d . . .
H85A H -1.3206 0.0287 0.8749 0.077 Uiso 1 1 calc R . .
Cl1A Cl -0.8663(13) -0.1803(7) 0.8120(13) 0.130(4) Uani 0.695(10) 1 d PD A 1
Cl2A Cl -0.9651(6) -0.1417(4) 0.7720(7) 0.198(5) Uani 0.695(10) 1 d PD . 1
C86A C -0.9049(9) -0.1413(6) 0.8192(10) 0.095(8) Uani 0.695(10) 1 d PD A 1
Cl1B Cl -0.869(3) -0.1877(17) 0.816(3) 0.130(4) Uani 0.305(10) 1 d PD A 2
C86B C -0.872(3) -0.1672(9) 0.744(2) 0.095(8) Uani 0.305(10) 1 d PD A 2
Cl2B Cl -0.8906(13) -0.1209(8) 0.7544(16) 0.198(5) Uani 0.305(10) 1 d PD A 2
C11S C -0.900(3) -0.043(2) 0.679(3) 0.20(4) Uani 0.50 1 d P B 3
O11S O -0.869(4) -0.0701(16) 0.717(2) 0.36(6) Uani 0.50 1 d P B 3
C2S C -1.0419(7) -0.2637(5) 0.0683(10) 0.104(6) Uani 1 1 d . . .
Cl3 Cl -1.0407(3) -0.24343(18) 0.1386(3) 0.134(2) Uani 1 1 d . . .
Cl4 Cl -1.0758(3) -0.30458(16) 0.0678(3) 0.136(2) Uani 1 1 d . . .
C3S C -1.2108(10) -0.3606(6) 0.1174(11) 0.122(8) Uani 1 1 d . . .
Cl5 Cl -1.2458(6) -0.3695(4) 0.1833(5) 0.299(8) Uani 1 1 d . . .
Cl6 Cl -1.1687(4) -0.3911(3) 0.0996(5) 0.225(5) Uani 1 1 d . . .
C4S C -1.0210(18) -0.0714(11) 0.5681(17) 0.052(12) Uiso 0.25 1 d PD . .
Cl7 Cl -0.970(2) -0.0438(16) 0.537(2) 0.33(3) Uiso 0.25 1 d PD . .
Cl8 Cl -1.0432(16) -0.0538(11) 0.6379(15) 0.212(16) Uiso 0.25 1 d PD . .
C5S C -0.806(6) 0.103(3) 0.758(2) 0.26(8) Uiso 0.25 1 d PD . .
Cl9 Cl -0.8407(13) 0.0640(9) 0.7858(13) 0.153(10) Uiso 0.25 1 d PD . .
Cl10 Cl -0.8224(15) 0.1007(10) 0.6817(16) 0.179(12) Uiso 0.25 1 d PD . .
C12A C -1.0165(13) -0.3252(12) 0.2586(12) 0.095(11) Uani 0.590(14) 1 d P . 1
O12A O -1.048(2) -0.3324(7) 0.2359(9) 0.154(13) Uani 0.590(14) 1 d P . 1
C12B C -1.0910(19) -0.3102(18) 0.2298(16) 0.095(11) Uani 0.410(14) 1 d P . 2
O12B O -1.132(2) -0.3117(8) 0.2484(12) 0.154(13) Uani 0.410(14) 1 d P . 2
C7SA C -1.3378(10) -0.0930(6) 0.8177(11) 0.063(7) Uani 0.599(16) 1 d P C 1
O7SA O -1.3304(6) -0.0540(4) 0.8194(6) 0.056(5) Uani 0.599(16) 1 d P C 1
C7SB C -0.7625(15) -0.0226(16) 0.771(2) 0.103(18) Uani 0.401(16) 1 d P C 2
O7SB O -0.7690(9) -0.0318(7) 0.7160(10) 0.065(8) Uani 0.401(16) 1 d P C 2
C8SA C -1.0120(15) -0.0768(10) 1.087(2) 0.19(2) Uani 0.763(17) 1 d P D 1
O8SA O -1.0381(11) -0.0870(9) 1.1337(19) 0.228(16) Uani 0.763(17) 1 d P D 1
C8SB C -1.167(5) 0.033(3) 0.914(8) 0.19(2) Uani 0.237(17) 1 d P D 2
O8SB O -1.176(3) 0.025(3) 0.868(6) 0.228(16) Uani 0.237(17) 1 d P D 2
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'
N N 0.0061 0.0033 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
C20 Rh1 O1 91.1(3) . . ?
C20 Rh1 N1A 98.6(7) . . ?
O1 Rh1 N1A 83.4(8) . . ?
C20 Rh1 O5 175.4(3) . . ?
O1 Rh1 O5 84.5(3) . . ?
N1A Rh1 O5 82.1(7) . . ?
C20 Rh1 P1 88.8(2) . . ?
O1 Rh1 P1 173.5(2) . . ?
N1A Rh1 P1 103.0(8) . . ?
O5 Rh1 P1 95.47(19) . . ?
C20 Rh1 N1B 98.6(14) . . ?
O1 Rh1 N1B 88.8(16) . . ?
N1A Rh1 N1B 5(2) . . ?
O5 Rh1 N1B 82.5(14) . . ?
P1 Rh1 N1B 97.7(16) . . ?
C20 Rh1 Rh2 96.7(3) . . ?
O1 Rh1 Rh2 86.2(2) . . ?
N1A Rh1 Rh2 161.7(8) . . ?
O5 Rh1 Rh2 81.8(2) . . ?
P1 Rh1 Rh2 87.33(9) . . ?
N1B Rh1 Rh2 164.0(15) . . ?
C2 Rh2 O6 91.7(3) . . ?
C2 Rh2 O2 176.5(4) . . ?
O6 Rh2 O2 84.8(3) . . ?
C2 Rh2 P2 87.8(3) . . ?
O6 Rh2 P2 175.7(3) . . ?
O2 Rh2 P2 95.7(2) . . ?
C2 Rh2 Rh1 96.1(3) . . ?
O6 Rh2 Rh1 87.5(2) . . ?
O2 Rh2 Rh1 83.6(2) . . ?
P2 Rh2 Rh1 88.32(8) . . ?
C2 Rh2 Cl1B 95.7(15) . . ?
O6 Rh2 Cl1B 88.0(19) . . ?
O2 Rh2 Cl1B 84.4(14) . . ?
P2 Rh2 Cl1B 96.3(19) . . ?
Rh1 Rh2 Cl1B 167.5(12) . . ?
C2 Rh2 Cl1A 96.4(6) . . ?
O6 Rh2 Cl1A 83.0(8) . . ?
O2 Rh2 Cl1A 83.3(6) . . ?
P2 Rh2 Cl1A 101.3(7) . . ?
Rh1 Rh2 Cl1A 164.5(5) . . ?
Cl1B Rh2 Cl1A 5(2) . . ?
C38 Rh3 O3 87.2(3) 4_557 . ?
C38 Rh3 O4 171.1(3) 4_557 . ?
O3 Rh3 O4 84.2(3) . . ?
C38 Rh3 P3 96.4(3) 4_557 . ?
O3 Rh3 P3 174.3(2) . . ?
O4 Rh3 P3 92.1(2) . . ?
C38 Rh3 N2 99.6(4) 4_557 . ?
O3 Rh3 N2 85.1(3) . . ?
O4 Rh3 N2 81.9(3) . . ?
P3 Rh3 N2 98.7(3) . . ?
C38 Rh3 Rh3 93.9(3) 4_557 4_557 ?
O3 Rh3 Rh3 86.3(2) . 4_557 ?
O4 Rh3 Rh3 83.3(2) . 4_557 ?
P3 Rh3 Rh3 88.98(9) . 4_557 ?
N2 Rh3 Rh3 163.5(3) . 4_557 ?
C1 P1 C13 105.1(4) . . ?
C1 P1 C7 103.5(5) . . ?
C13 P1 C7 103.4(4) . . ?
C1 P1 Rh1 112.1(4) . . ?
C13 P1 Rh1 111.1(3) . . ?
C7 P1 Rh1 120.3(4) . . ?
C19 P2 C25 106.0(5) . . ?
C19 P2 C31 104.6(4) . . ?
C25 P2 C31 103.9(4) . . ?
C19 P2 Rh2 112.2(4) . . ?
C25 P2 Rh2 116.5(4) . . ?
C31 P2 Rh2 112.5(3) . . ?
C49 P3 C37 105.4(5) . . ?
C49 P3 C43 98.5(5) . . ?
C37 P3 C43 104.7(5) . . ?
C49 P3 Rh3 123.2(4) . . ?
C37 P3 Rh3 109.0(3) . . ?
C43 P3 Rh3 114.1(4) . . ?
C55 O1 Rh1 118.4(7) . . ?
C55 O2 Rh2 120.6(7) . . ?
C68 O3 Rh3 118.7(7) . . ?
C68 O4 Rh3 118.9(7) 4_557 . ?
C69 O5 Rh1 120.6(7) . . ?
C69 O6 Rh2 116.4(6) . . ?
C81 N2 C85 117.9(11) . . ?
C81 N2 Rh3 125.7(9) . . ?
C85 N2 Rh3 115.0(9) . . ?
C2 C1 C6 122.4(10) . . ?
C2 C1 P1 115.8(8) . . ?
C6 C1 P1 121.4(9) . . ?
C1 C2 C3 117.0(9) . . ?
C1 C2 Rh2 123.6(8) . . ?
C3 C2 Rh2 119.4(8) . . ?
C4 C3 C2 120.4(12) . . ?
C5 C4 C3 120.5(12) . . ?
C4 C5 C6 121.3(10) . . ?
C5 C6 C1 118.1(11) . . ?
C8 C7 C12 118.4(11) . . ?
C8 C7 P1 119.3(9) . . ?
C12 C7 P1 122.3(9) . . ?
C7 C8 C9 122.0(12) . . ?
C10 C9 C8 117.0(13) . . ?
C9 C10 C11 122.0(14) . . ?
C12 C11 C10 119.5(14) . . ?
C11 C12 C7 121.2(13) . . ?
C14 C13 C18 120.0 . . ?
C14 C13 P1 121.2(4) . . ?
C18 C13 P1 118.8(4) . . ?
C15 C14 C13 120.0 . . ?
C16 C15 C14 120.0 . . ?
C15 C16 C17 120.0 . . ?
C18 C17 C16 120.0 . . ?
C17 C18 C13 120.0 . . ?
C20 C19 C24 120.6(10) . . ?
C20 C19 P2 118.0(8) . . ?
C24 C19 P2 121.2(9) . . ?
C19 C20 C21 117.4(9) . . ?
C19 C20 Rh1 121.1(8) . . ?
C21 C20 Rh1 121.5(8) . . ?
C22 C21 C20 122.0(11) . . ?
C21 C22 C23 120.8(11) . . ?
C24 C23 C22 117.7(10) . . ?
C23 C24 C19 121.3(11) . . ?
C26 C25 C30 118.0(11) . . ?
C26 C25 P2 123.3(9) . . ?
C30 C25 P2 118.8(8) . . ?
C25 C26 C27 119.3(12) . . ?
C28 C27 C26 123.0(13) . . ?
C27 C28 C29 117.7(12) . . ?
C28 C29 C30 120.7(13) . . ?
C25 C30 C29 121.2(13) . . ?
C32 C31 C36 120.0 . . ?
C32 C31 P2 121.9(5) . . ?
C36 C31 P2 118.1(5) . . ?
C33 C32 C31 120.0 . . ?
C32 C33 C34 120.0 . . ?
C33 C34 C35 120.0 . . ?
C36 C35 C34 120.0 . . ?
C35 C36 C31 120.0 . . ?
C42 C37 C38 121.9(11) . . ?
C42 C37 P3 122.0(9) . . ?
C38 C37 P3 115.9(8) . . ?
C37 C38 C39 116.2(9) . . ?
C37 C38 Rh3 124.3(8) . 4_557 ?
C39 C38 Rh3 119.1(8) . 4_557 ?
C40 C39 C38 120.5(11) . . ?
C39 C40 C41 122.2(13) . . ?
C42 C41 C40 118.6(12) . . ?
C41 C42 C37 120.4(12) . . ?
C44 C43 C48 118.9(10) . . ?
C44 C43 P3 123.1(9) . . ?
C48 C43 P3 117.8(8) . . ?
C43 C44 C45 121.2(12) . . ?
C46 C45 C44 118.4(12) . . ?
C47 C46 C45 121.8(12) . . ?
C46 C47 C48 119.7(12) . . ?
C47 C48 C43 120.0(11) . . ?
C50 C49 C54 118.4(11) . . ?
C50 C49 P3 122.0(10) . . ?
C54 C49 P3 119.0(9) . . ?
C49 C50 C51 120.4(14) . . ?
C52 C51 C50 120.2(15) . . ?
C53 C52 C51 121.4(14) . . ?
C52 C53 C54 118.6(16) . . ?
C49 C54 C53 121.0(13) . . ?
O1 C55 O2 124.3(10) . . ?
O1 C55 C56 118.0(11) . . ?
O2 C55 C56 117.7(11) . . ?
C57 C56 C61 118.4(10) . . ?
C57 C56 C55 121.1(11) . . ?
C61 C56 C55 120.4(12) . . ?
C56 C57 C58 120.4(12) . . ?
C59 C58 C57 120.3(13) . . ?
C58 C59 C60 119.9(11) . . ?
C58 C59 C62 120.0(12) . . ?
C60 C59 C62 119.9(11) . . ?
C61 C60 C59 118.3(13) . . ?
C56 C61 C60 122.6(12) . . ?
C63 C62 C67 118.0(10) . . ?
C63 C62 C59 121.6(10) . . ?
C67 C62 C59 120.2(10) . . ?
C62 C63 C64 121.3(11) . . ?
C63 C64 C65 120.1(11) . . ?
C66 C65 C64 119.6(10) . . ?
C66 C65 C68 121.4(10) . . ?
C64 C65 C68 119.0(10) . . ?
C65 C66 C67 120.4(11) . . ?
C66 C67 C62 120.5(11) . . ?
O3 C68 O4 127.4(10) . 4_557 ?
O3 C68 C65 118.3(11) . . ?
O4 C68 C65 114.3(10) 4_557 . ?
O5 C69 O6 126.4(10) . . ?
O5 C69 C70 117.8(10) . . ?
O6 C69 C70 115.7(10) . . ?
C71 C70 C75 116.6(10) . . ?
C71 C70 C69 122.9(11) . . ?
C75 C70 C69 120.5(10) . . ?
C70 C71 C72 123.8(12) . . ?
C73 C72 C71 118.9(12) . . ?
C72 C73 C74 120.2(10) . . ?
C72 C73 C73 121.2(15) . 4_557 ?
C74 C73 C73 118.7(14) . 4_557 ?
C75 C74 C73 118.5(12) . . ?
C74 C75 C70 121.8(12) . . ?
C76A N1A C80A 120.0 . . ?
C76A N1A Rh1 124.7(18) . . ?
C80A N1A Rh1 113.4(17) . . ?
C77A C76A N1A 120.0 . . ?
C76A C77A C78A 120.0 . . ?
C79A C78A C77A 120.0 . . ?
C78A C79A C80A 120.0 . . ?
C79A C80A N1A 120.0 . . ?
C76B N1B C80B 120.0 . . ?
C76B N1B Rh1 132(4) . . ?
C80B N1B Rh1 108(4) . . ?
C77B C76B N1B 120.0 . . ?
C76B C77B C78B 120.0 . . ?
C79B C78B C77B 120.0 . . ?
C78B C79B C80B 120.0 . . ?
C79B C80B N1B 120.0 . . ?
N2 C81 C82 123.8(13) . . ?
C81 C82 C83 117.6(14) . . ?
C84 C83 C82 119.6(14) . . ?
C83 C84 C85 119.9(13) . . ?
N2 C85 C84 121.1(13) . . ?
C86A Cl1A Rh2 101.1(15) . . ?
C86A Cl2A Cl2A 174.3(17) . 3_356 ?
Cl1A C86A Cl2A 112.1(15) . . ?
C86B Cl1B Rh2 169(4) . . ?
Cl2B C86B Cl1B 107.1(16) . . ?
Cl4 C2S Cl3 113.0(13) . . ?
Cl6 C3S Cl5 113.5(14) . . ?
Cl7 C4S Cl8 110.9(17) . . ?
Cl10 C5S Cl9 102(3) . . ?
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 C20 2.021(9) . ?
Rh1 O1 2.140(7) . ?
Rh1 N1A 2.17(3) . ?
Rh1 O5 2.193(6) . ?
Rh1 P1 2.198(3) . ?
Rh1 N1B 2.27(6) . ?
Rh1 Rh2 2.5229(12) . ?
Rh2 C2 1.990(10) . ?
Rh2 O6 2.114(7) . ?
Rh2 O2 2.158(7) . ?
Rh2 P2 2.193(3) . ?
Rh2 Cl1B 2.61(6) . ?
Rh2 Cl1A 2.79(2) . ?
Rh3 C38 2.022(10) 4_557 ?
Rh3 O3 2.155(7) . ?
Rh3 O4 2.201(7) . ?
Rh3 P3 2.208(3) . ?
Rh3 N2 2.254(10) . ?
Rh3 Rh3 2.5288(17) 4_557 ?
P1 C1 1.789(11) . ?
P1 C13 1.833(6) . ?
P1 C7 1.835(11) . ?
P2 C19 1.786(11) . ?
P2 C25 1.815(11) . ?
P2 C31 1.850(6) . ?
P3 C49 1.832(11) . ?
P3 C37 1.840(11) . ?
P3 C43 1.843(11) . ?
O1 C55 1.249(13) . ?
O2 C55 1.286(13) . ?
O3 C68 1.232(13) . ?
O4 C68 1.233(14) 4_557 ?
O5 C69 1.239(12) . ?
O6 C69 1.254(13) . ?
N2 C81 1.300(16) . ?
N2 C85 1.379(16) . ?
C1 C2 1.371(14) . ?
C1 C6 1.435(16) . ?
C2 C3 1.431(16) . ?
C3 C4 1.413(17) . ?
C4 C5 1.348(18) . ?
C5 C6 1.385(17) . ?
C7 C8 1.367(17) . ?
C7 C12 1.409(17) . ?
C8 C9 1.412(18) . ?
C9 C10 1.36(2) . ?
C10 C11 1.41(2) . ?
C11 C12 1.329(18) . ?
C13 C14 1.3900 . ?
C13 C18 1.3900 . ?
C14 C15 1.3900 . ?
C15 C16 1.3900 . ?
C16 C17 1.3900 . ?
C17 C18 1.3900 . ?
C19 C20 1.400(15) . ?
C19 C24 1.407(16) . ?
C20 C21 1.405(15) . ?
C21 C22 1.369(17) . ?
C22 C23 1.414(18) . ?
C23 C24 1.390(18) . ?
C25 C26 1.381(15) . ?
C25 C30 1.382(16) . ?
C26 C27 1.400(17) . ?
C27 C28 1.356(19) . ?
C28 C29 1.37(2) . ?
C29 C30 1.401(18) . ?
C31 C32 1.3900 . ?
C31 C36 1.3900 . ?
C32 C33 1.3900 . ?
C33 C34 1.3900 . ?
C34 C35 1.3900 . ?
C35 C36 1.3900 . ?
C37 C42 1.375(15) . ?
C37 C38 1.379(15) . ?
C38 C39 1.414(16) . ?
C38 Rh3 2.022(10) 4_557 ?
C39 C40 1.342(17) . ?
C40 C41 1.370(19) . ?
C41 C42 1.354(18) . ?
C43 C44 1.340(16) . ?
C43 C48 1.408(15) . ?
C44 C45 1.434(18) . ?
C45 C46 1.36(2) . ?
C46 C47 1.352(18) . ?
C47 C48 1.399(16) . ?
C49 C50 1.377(16) . ?
C49 C54 1.383(16) . ?
C50 C51 1.392(18) . ?
C51 C52 1.36(2) . ?
C52 C53 1.35(2) . ?
C53 C54 1.413(17) . ?
C55 C56 1.488(15) . ?
C56 C57 1.366(17) . ?
C56 C61 1.371(18) . ?
C57 C58 1.422(16) . ?
C58 C59 1.349(18) . ?
C59 C60 1.408(18) . ?
C59 C62 1.512(15) . ?
C60 C61 1.385(16) . ?
C62 C63 1.360(16) . ?
C62 C67 1.408(16) . ?
C63 C64 1.377(15) . ?
C64 C65 1.379(17) . ?
C65 C66 1.363(16) . ?
C65 C68 1.543(15) . ?
C66 C67 1.370(15) . ?
C68 O4 1.233(14) 4_557 ?
C69 C70 1.502(15) . ?
C70 C71 1.340(16) . ?
C70 C75 1.404(17) . ?
C71 C72 1.384(15) . ?
C72 C73 1.353(18) . ?
C73 C74 1.404(18) . ?
C73 C73 1.53(2) 4_557 ?
C74 C75 1.376(15) . ?
N1A C76A 1.3900 . ?
N1A C80A 1.3900 . ?
C76A C77A 1.3900 . ?
C77A C78A 1.3900 . ?
C78A C79A 1.3900 . ?
C79A C80A 1.3900 . ?
N1B C76B 1.3900 . ?
N1B C80B 1.3900 . ?
C76B C77B 1.3900 . ?
C77B C78B 1.3900 . ?
C78B C79B 1.3900 . ?
C79B C80B 1.3900 . ?
C81 C82 1.399(19) . ?
C82 C83 1.41(2) . ?
C83 C84 1.32(2) . ?
C84 C85 1.409(19) . ?
Cl1A C86A 1.714(18) . ?
Cl2A C86A 1.790(17) . ?
Cl2A Cl2A 1.94(2) 3_356 ?
Cl1B C86B 1.78(2) . ?
C86B Cl2B 1.77(2) . ?
C11S O11S 1.50(9) . ?
C2S Cl4 1.705(19) . ?
C2S Cl3 1.73(2) . ?
C3S Cl6 1.56(2) . ?
C3S Cl5 1.72(2) . ?
C4S Cl7 1.74(2) . ?
C4S Cl8 1.76(2) . ?
C5S Cl10 1.75(2) . ?
C5S Cl9 1.76(2) . ?
C12A C12A 0.88(5) 3_355 ?
C12A O12A 0.94(5) . ?
C12A O12A 1.57(6) 3_355 ?
O12A C12A 1.57(6) 3_355 ?
C12B O12B 1.08(6) . ?
C7SA O7SA 1.44(3) . ?
C7SB O7SB 1.28(5) . ?
C8SA O8SA 1.27(5) . ?
C8SB O8SB 1.1(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
P1 Rh1 Rh2 P2 101.14(10) . . . . ?
C20 Rh1 Rh2 C2 -74.9(4) . . . . ?
P1 Rh1 Rh2 C2 13.5(3) . . . . ?
C20 Rh1 Rh2 P2 12.7(2) . . . . ?
O1 Rh1 Rh2 O2 17.9(3) . . . . ?
O5 Rh1 Rh2 O6 18.0(3) . . . . ?
P3 Rh3 Rh3 P3 75.80(14) . . 4_557 4_557 ?
C38 Rh3 Rh3 C38 -116.9(6) 4_557 . 4_557 . ?
P3 Rh3 Rh3 C38 -20.5(3) . . 4_557 . ?
O4 Rh3 Rh3 O3 -15.2(3) . . 4_557 4_557 ?
