#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:24:16 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179139 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/00/4310008.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_4310008
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         'C140 H111 Cl2 N5 O12 P6 Rh6, 2(C H2 Cl2)'
_chemical_formula_sum            'C142 H115 Cl6 N5 O12 P6 Rh6'
_chemical_formula_weight         3099.37
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 113.0320(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   15.2104(13)
_cell_length_b                   27.015(2)
_cell_length_c                   16.9695(15)
_cell_measurement_reflns_used    8007
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.56
_cell_measurement_theta_min      2.61
_cell_volume                     6417.1(9)
_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 0.989
_diffrn_measured_fraction_theta_max 0.989
_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  0.0315
_diffrn_reflns_av_sigmaI/netI    0.0426
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            41508
_diffrn_reflns_theta_full        27.62
_diffrn_reflns_theta_max         27.62
_diffrn_reflns_theta_min         1.51
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.018
_exptl_absorpt_correction_T_max  0.8876
_exptl_absorpt_correction_T_min  0.6629
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.604
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3120
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.201
_refine_diff_density_min         -1.196
_refine_diff_density_rms         0.103
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.012(16)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1576
_refine_ls_number_reflns         20219
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0375
_refine_ls_R_factor_gt           0.0335
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0412P)²+8.2746P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0826
_refine_ls_wR_factor_ref         0.0857
_reflns_number_gt                18919
_reflns_number_total             20219
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic051282csi20050729_010330_05.cif
_cod_data_source_block           SSS4
_cod_original_cell_volume        6417.2(10)
_cod_database_code               4310008
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, 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 0.85295(2) 0.090655(15) 0.73704(2) 0.01471(8) Uani 1 1 d . . .
Rh2 Rh 0.72129(2) 0.056006(16) 0.77635(2) 0.01451(8) Uani 1 1 d . . .
Rh3 Rh 0.98230(2) -0.131797(15) 0.63957(2) 0.01453(8) Uani 1 1 d . . .
Rh4 Rh 0.86674(3) -0.173491(15) 0.69499(2) 0.01452(8) Uani 1 1 d . . .
Rh5 Rh 0.61540(3) -0.005211(16) 0.33924(2) 0.01597(8) Uani 1 1 d . . .
Rh6 Rh 0.50555(2) -0.057173(16) 0.38876(2) 0.01525(8) Uani 1 1 d . . .
Cl1 Cl 0.45094(13) -0.07170(8) 0.68785(12) 0.0520(5) Uani 1 1 d . . .
Cl2 Cl 0.58436(11) 0.00104(8) 0.78933(10) 0.0441(4) Uani 1 1 d . . .
P1 P 0.77770(9) 0.16291(5) 0.71287(8) 0.0174(3) Uani 1 1 d . . .
P2 P 0.81883(8) 0.05722(6) 0.91285(7) 0.0170(3) Uani 1 1 d . . .
P3 P 1.09855(8) -0.14605(6) 0.76772(8) 0.0177(3) Uani 1 1 d . . .
P4 P 0.87786(9) -0.24038(5) 0.62365(8) 0.0165(3) Uani 1 1 d . . .
P5 P 0.58766(9) -0.05996(6) 0.23539(8) 0.0207(3) Uani 1 1 d . . .
P6 P 0.40101(8) 0.00326(6) 0.34192(7) 0.0176(3) Uani 1 1 d . . .
O1 O 0.9086(2) 0.01783(14) 0.7589(2) 0.0187(7) Uani 1 1 d . . .
O2 O 0.7707(2) -0.01588(14) 0.7516(2) 0.0187(8) Uani 1 1 d . . .
O3 O 0.9240(2) -0.06472(15) 0.6716(2) 0.0188(8) Uani 1 1 d . . .
O4 O 0.8670(2) -0.10530(15) 0.7573(2) 0.0205(8) Uani 1 1 d . . .
O5 O 0.7661(2) 0.05795(15) 0.61332(19) 0.0179(7) Uani 1 1 d . . .
O6 O 0.6352(2) 0.05177(15) 0.6435(2) 0.0191(8) Uani 1 1 d . . .
O7 O 0.6362(2) 0.03987(15) 0.4467(2) 0.0200(8) Uani 1 1 d . . .
O8 O 0.5845(2) -0.01952(14) 0.5116(2) 0.0184(8) Uani 1 1 d . . .
O9 O 0.8614(2) -0.12351(15) 0.5222(2) 0.0199(8) Uani 1 1 d . . .
O10 O 0.7603(2) -0.13434(15) 0.5882(2) 0.0176(7) Uani 1 1 d . . .
O11 O 0.7277(2) -0.05098(15) 0.4316(2) 0.0191(8) Uani 1 1 d . . .
O12 O 0.6210(2) -0.10837(15) 0.4332(2) 0.0199(8) Uani 1 1 d . . .
N1 N 0.9609(3) 0.10413(19) 0.6808(3) 0.0213(10) Uani 1 1 d . . .
N3 N 1.0516(3) -0.07857(19) 0.5778(3) 0.0222(10) Uani 1 1 d . . .
N4 N 0.7450(3) -0.19437(19) 0.7344(3) 0.0237(10) Uani 1 1 d . . .
N5 N 0.7410(3) 0.03668(19) 0.3336(3) 0.0221(10) Uani 1 1 d . . .
N6 N 0.4461(3) -0.10648(18) 0.4671(3) 0.0206(9) Uani 1 1 d . . .
C1 C 0.6978(3) 0.1672(2) 0.7678(3) 0.0182(11) Uani 1 1 d . . .
C2 C 0.6682(3) 0.1216(2) 0.7898(3) 0.0174(10) Uani 1 1 d . . .
C3 C 0.5955(3) 0.1253(2) 0.8224(3) 0.0235(12) Uani 1 1 d . . .
H3A H 0.5693 0.0958 0.8345 0.028 Uiso 1 1 calc R . .
C4 C 0.5616(4) 0.1703(2) 0.8372(3) 0.0250(13) Uani 1 1 d . . .
H4A H 0.5133 0.1709 0.8596 0.030 Uiso 1 1 calc R . .
C5 C 0.5969(4) 0.2147(2) 0.8199(4) 0.0276(13) Uani 1 1 d . . .
H5A H 0.5755 0.2456 0.8326 0.033 Uiso 1 1 calc R . .
C6 C 0.6642(4) 0.2127(2) 0.7838(3) 0.0240(12) Uani 1 1 d . . .
H6A H 0.6878 0.2425 0.7697 0.029 Uiso 1 1 calc R . .
C7 C 0.8440(3) 0.2217(2) 0.7397(3) 0.0196(11) Uani 1 1 d . . .
C8 C 0.8438(4) 0.2551(3) 0.6772(4) 0.0343(15) Uani 1 1 d . . .
H8A H 0.8092 0.2474 0.6185 0.041 Uiso 1 1 calc R . .
C9 C 0.8933(5) 0.2993(3) 0.6993(4) 0.0458(18) Uani 1 1 d . . .
H9A H 0.8947 0.3210 0.6558 0.055 Uiso 1 1 calc R . .
C10 C 0.9409(5) 0.3120(3) 0.7848(4) 0.0440(17) Uani 1 1 d . . .
H10A H 0.9722 0.3431 0.8001 0.053 Uiso 1 1 calc R . .
C11 C 0.9422(5) 0.2791(3) 0.8470(4) 0.0392(16) Uani 1 1 d . . .
H11A H 0.9761 0.2873 0.9056 0.047 Uiso 1 1 calc R . .
C12 C 0.8953(4) 0.2342(2) 0.8260(3) 0.0284(13) Uani 1 1 d . . .
H12A H 0.8978 0.2117 0.8699 0.034 Uiso 1 1 calc R . .
C13 C 0.7031(3) 0.1723(2) 0.5988(3) 0.0200(11) Uani 1 1 d . . .
C14 C 0.7354(4) 0.1566(2) 0.5372(3) 0.0232(11) Uani 1 1 d . . .
H14A H 0.7953 0.1403 0.5545 0.028 Uiso 1 1 calc R . .
C15 C 0.6818(4) 0.1641(3) 0.4505(4) 0.0310(13) Uani 1 1 d . . .
H15A H 0.7039 0.1518 0.4090 0.037 Uiso 1 1 calc R . .
C16 C 0.5966(4) 0.1893(3) 0.4247(4) 0.0360(16) Uani 1 1 d . . .
H16A H 0.5601 0.1951 0.3656 0.043 Uiso 1 1 calc R . .
C17 C 0.5644(4) 0.2063(3) 0.4856(4) 0.0381(16) Uani 1 1 d . . .
H17A H 0.5059 0.2240 0.4681 0.046 Uiso 1 1 calc R . .
C18 C 0.6167(4) 0.1976(3) 0.5718(4) 0.0294(13) Uani 1 1 d . . .
H18A H 0.5933 0.2090 0.6129 0.035 Uiso 1 1 calc R . .
C19 C 0.9292(3) 0.0892(2) 0.9292(3) 0.0187(10) Uani 1 1 d . . .
C20 C 0.9424(3) 0.1084(2) 0.8581(3) 0.0188(10) Uani 1 1 d . . .
C21 C 1.0289(4) 0.1335(2) 0.8760(3) 0.0248(12) Uani 1 1 d . . .
H21A H 1.0399 0.1486 0.8302 0.030 Uiso 1 1 calc R . .
C22 C 1.0985(4) 0.1369(3) 0.9579(4) 0.0310(14) Uani 1 1 d . . .
H22A H 1.1562 0.1540 0.9667 0.037 Uiso 1 1 calc R . .
C23 C 1.0858(4) 0.1160(3) 1.0277(4) 0.0308(14) Uani 1 1 d . . .
H23A H 1.1340 0.1183 1.0839 0.037 Uiso 1 1 calc R . .
C24 C 1.0016(3) 0.0920(2) 1.0126(3) 0.0251(12) Uani 1 1 d . . .
H24A H 0.9915 0.0769 1.0589 0.030 Uiso 1 1 calc R . .
C25 C 0.7706(3) 0.0873(2) 0.9849(3) 0.0210(11) Uani 1 1 d . . .
C26 C 0.8005(4) 0.1333(2) 1.0187(3) 0.0249(12) Uani 1 1 d . . .
H26A H 0.8521 0.1487 1.0100 0.030 Uiso 1 1 calc R . .
C27 C 0.7564(4) 0.1579(3) 1.0656(4) 0.0314(13) Uani 1 1 d . . .
H27A H 0.7786 0.1896 1.0892 0.038 Uiso 1 1 calc R . .
C28 C 0.6808(4) 0.1363(3) 1.0781(4) 0.0335(14) Uani 1 1 d . . .
H28A H 0.6518 0.1528 1.1112 0.040 Uiso 1 1 calc R . .
C29 C 0.6471(4) 0.0906(3) 1.0422(3) 0.0306(13) Uani 1 1 d . . .
H29A H 0.5941 0.0759 1.0496 0.037 Uiso 1 1 calc R . .
C30 C 0.6910(4) 0.0663(2) 0.9953(3) 0.0258(12) Uani 1 1 d . . .
H30A H 0.6672 0.0352 0.9700 0.031 Uiso 1 1 calc R . .
C31 C 0.8586(4) -0.0048(2) 0.9571(3) 0.0228(11) Uani 1 1 d . . .
C32 C 0.8128(5) -0.0336(3) 0.9977(5) 0.0445(18) Uani 1 1 d . . .
H32A H 0.7641 -0.0192 1.0122 0.053 Uiso 1 1 calc R . .
C33 C 0.8370(5) -0.0827(3) 1.0172(6) 0.063(3) Uani 1 1 d . . .
H33A H 0.8051 -0.1016 1.0451 0.076 Uiso 1 1 calc R . .
C34 C 0.9086(5) -0.1048(3) 0.9961(5) 0.0488(19) Uani 1 1 d . . .
H34A H 0.9229 -0.1390 1.0067 0.059 Uiso 1 1 calc R . .
C35 C 0.9572(4) -0.0762(3) 0.9602(3) 0.0348(15) Uani 1 1 d . . .
H35A H 1.0079 -0.0901 0.9480 0.042 Uiso 1 1 calc R . .
C36 C 0.9327(4) -0.0269(3) 0.9416(3) 0.0281(13) Uani 1 1 d . . .
H36A H 0.9679 -0.0075 0.9174 0.034 Uiso 1 1 calc R . .
C37 C 1.0626(4) -0.1893(2) 0.8318(3) 0.0200(11) Uani 1 1 d . . .
C38 C 0.9649(3) -0.2011(2) 0.8043(3) 0.0181(10) Uani 1 1 d . . .
C39 C 0.9401(4) -0.2324(2) 0.8583(3) 0.0224(11) Uani 1 1 d . . .
H39A H 0.8748 -0.2409 0.8423 0.027 Uiso 1 1 calc R . .
C40 C 1.0075(4) -0.2519(2) 0.9350(3) 0.0270(12) Uani 1 1 d . . .
H40A H 0.9875 -0.2722 0.9706 0.032 Uiso 1 1 calc R . .
C41 C 1.1031(4) -0.2412(2) 0.9579(3) 0.0285(13) Uani 1 1 d . . .
H41A H 1.1497 -0.2550 1.0085 0.034 Uiso 1 1 calc R . .
C42 C 1.1308(4) -0.2104(2) 0.9072(3) 0.0252(12) Uani 1 1 d . . .
H42A H 1.1966 -0.2032 0.9231 0.030 Uiso 1 1 calc R . .
C43 C 1.2102(4) -0.1753(3) 0.7713(3) 0.0291(14) Uani 1 1 d . . .
C44 C 1.2928(4) -0.1484(4) 0.7869(5) 0.056(2) Uani 1 1 d . . .
H44A H 1.2969 -0.1141 0.7997 0.067 Uiso 1 1 calc R . .
C45 C 1.3720(6) -0.1757(5) 0.7824(7) 0.081(4) Uani 1 1 d . . .
H45A H 1.4300 -0.1587 0.7917 0.097 Uiso 1 1 calc R . .
C46 C 1.3662(7) -0.2238(4) 0.7658(7) 0.079(3) Uani 1 1 d . . .
H46A H 1.4197 -0.2405 0.7627 0.095 Uiso 1 1 calc R . .
C47 C 1.2890(6) -0.2484(4) 0.7536(4) 0.055(2) Uani 1 1 d . . .
H47A H 1.2875 -0.2831 0.7440 0.065 Uiso 1 1 calc R . .
C48 C 1.2091(4) -0.2251(3) 0.7545(4) 0.0379(16) Uani 1 1 d . . .
H48A H 1.1525 -0.2436 0.7434 0.046 Uiso 1 1 calc R . .
C49 C 1.1427(4) -0.0919(2) 0.8377(3) 0.0233(12) Uani 1 1 d . . .
C50 C 1.1150(4) -0.0446(2) 0.8072(4) 0.0301(14) Uani 1 1 d . . .
H50A H 1.0775 -0.0397 0.7480 0.036 Uiso 1 1 calc R . .
C51 C 1.1411(4) -0.0041(3) 0.8617(4) 0.0378(15) Uani 1 1 d . . .
H51A H 1.1189 0.0279 0.8397 0.045 Uiso 1 1 calc R . .
C52 C 1.1988(4) -0.0095(3) 0.9471(4) 0.0408(17) Uani 1 1 d . . .
H52A H 1.2162 0.0183 0.9844 0.049 Uiso 1 1 calc R . .
C53 C 1.2301(6) -0.0561(3) 0.9765(4) 0.055(2) Uani 1 1 d . . .
H53A H 1.2721 -0.0605 1.0347 0.066 Uiso 1 1 calc R . .
C54 C 1.2022(5) -0.0968(3) 0.9237(4) 0.0485(19) Uani 1 1 d . . .
H54A H 1.2239 -0.1287 0.9464 0.058 Uiso 1 1 calc R . .
C55 C 0.9809(3) -0.2394(2) 0.5942(3) 0.0206(11) Uani 1 1 d . . .
C56 C 1.0229(3) -0.1925(2) 0.5959(3) 0.0178(10) Uani 1 1 d . . .
C57 C 1.0959(4) -0.1919(2) 0.5638(3) 0.0229(12) Uani 1 1 d . . .
H57A H 1.1247 -0.1611 0.5609 0.027 Uiso 1 1 calc R . .
C58 C 1.1270(4) -0.2339(2) 0.5364(3) 0.0263(13) Uani 1 1 d . . .
H58A H 1.1754 -0.2314 0.5143 0.032 Uiso 1 1 calc R . .
C59 C 1.0888(4) -0.2793(2) 0.5407(3) 0.0263(12) Uani 1 1 d . . .
H59A H 1.1122 -0.3084 0.5241 0.032 Uiso 1 1 calc R . .
C60 C 1.0153(4) -0.2820(2) 0.5696(3) 0.0222(11) Uani 1 1 d . . .
H60A H 0.9881 -0.3133 0.5727 0.027 Uiso 1 1 calc R . .
C61 C 0.8892(3) -0.3018(2) 0.6730(3) 0.0198(11) Uani 1 1 d . . .
C62 C 0.9720(3) -0.3140(2) 0.7443(3) 0.0193(11) Uani 1 1 d . . .
H62A H 1.0222 -0.2905 0.7659 0.023 Uiso 1 1 calc R . .
C63 C 0.9821(4) -0.3593(2) 0.7837(3) 0.0249(12) Uani 1 1 d . . .
H63A H 1.0382 -0.3664 0.8328 0.030 Uiso 1 1 calc R . .
C64 C 0.9116(4) -0.3946(2) 0.7525(4) 0.0289(13) Uani 1 1 d . . .
H64A H 0.9192 -0.4260 0.7797 0.035 Uiso 1 1 calc R . .
C65 C 0.8287(4) -0.3840(2) 0.6805(4) 0.0305(13) Uani 1 1 d . . .
H65A H 0.7802 -0.4084 0.6578 0.037 Uiso 1 1 calc R . .
C66 C 0.8179(4) -0.3377(2) 0.6426(3) 0.0256(12) Uani 1 1 d . . .
H66A H 0.7606 -0.3302 0.5948 0.031 Uiso 1 1 calc R . .
C67 C 0.7750(3) -0.2509(2) 0.5215(3) 0.0197(11) Uani 1 1 d . . .
C68 C 0.7820(4) -0.2828(3) 0.4591(3) 0.0283(13) Uani 1 1 d . . .
H68A H 0.8413 -0.2981 0.4676 0.034 Uiso 1 1 calc R . .
C69 C 0.7020(4) -0.2921(3) 0.3844(3) 0.0337(14) Uani 1 1 d . . .
H69A H 0.7071 -0.3138 0.3424 0.040 Uiso 1 1 calc R . .
C70 C 0.6160(4) -0.2702(3) 0.3711(4) 0.0360(15) Uani 1 1 d . . .
H70A H 0.5617 -0.2772 0.3203 0.043 Uiso 1 1 calc R . .
C71 C 0.6083(4) -0.2382(2) 0.4311(4) 0.0309(13) Uani 1 1 d . . .
H71A H 0.5493 -0.2220 0.4206 0.037 Uiso 1 1 calc R . .
C72 C 0.6870(4) -0.2295(2) 0.5076(3) 0.0250(12) Uani 1 1 d . . .
H72A H 0.6803 -0.2088 0.5502 0.030 Uiso 1 1 calc R . .
C73 C 0.4842(4) -0.0988(2) 0.2189(3) 0.0212(11) Uani 1 1 d . . .
C74 C 0.4424(3) -0.0956(2) 0.2792(3) 0.0206(11) Uani 1 1 d . . .
C75 C 0.3596(4) -0.1240(2) 0.2615(3) 0.0270(13) Uani 1 1 d . . .
H75A H 0.3298 -0.1236 0.3013 0.032 Uiso 1 1 calc R . .
C76 C 0.3199(4) -0.1525(2) 0.1885(4) 0.0315(13) Uani 1 1 d . . .
H76A H 0.2623 -0.1702 0.1778 0.038 Uiso 1 1 calc R . .
C77 C 0.3639(4) -0.1554(2) 0.1307(4) 0.0333(14) Uani 1 1 d . . .
H77A H 0.3380 -0.1759 0.0815 0.040 Uiso 1 1 calc R . .
C78 C 0.4453(4) -0.1284(3) 0.1454(3) 0.0305(13) Uani 1 1 d . . .
H78A H 0.4754 -0.1298 0.1058 0.037 Uiso 1 1 calc R . .
C79 C 0.5621(4) -0.0428(2) 0.1235(3) 0.0252(13) Uani 1 1 d . . .
C80 C 0.6075(4) -0.0637(3) 0.0747(4) 0.0374(16) Uani 1 1 d . . .
H80A H 0.6629 -0.0834 0.1016 0.045 Uiso 1 1 calc R . .
C81 C 0.5726(5) -0.0561(3) -0.0128(4) 0.0449(19) Uani 1 1 d . . .
H81A H 0.6043 -0.0708 -0.0452 0.054 Uiso 1 1 calc R . .
C82 C 0.4939(5) -0.0279(3) -0.0532(4) 0.046(2) Uani 1 1 d . . .
H82A H 0.4703 -0.0235 -0.1135 0.055 Uiso 1 1 calc R . .
C83 C 0.4478(4) -0.0055(3) -0.0062(4) 0.0459(19) Uani 1 1 d . . .
H83A H 0.3941 0.0153 -0.0337 0.055 Uiso 1 1 calc R . .
C84 C 0.4816(4) -0.0139(3) 0.0819(3) 0.0362(16) Uani 1 1 d . . .
H84A H 0.4489 0.0003 0.1140 0.043 Uiso 1 1 calc R . .
C85 C 0.6898(4) -0.1027(3) 0.2615(4) 0.0309(14) Uani 1 1 d . . .
C86 C 0.6871(5) -0.1501(3) 0.2863(5) 0.0460(18) Uani 1 1 d . . .
H86A H 0.6288 -0.1638 0.2843 0.055 Uiso 1 1 calc R . .
C87 C 0.7694(7) -0.1785(4) 0.3145(6) 0.072(3) Uani 1 1 d . . .
H87A H 0.7670 -0.2115 0.3332 0.086 Uiso 1 1 calc R . .
C88 C 0.8534(6) -0.1604(4) 0.3163(6) 0.068(3) Uani 1 1 d . . .
H88A H 0.9085 -0.1810 0.3340 0.082 Uiso 1 1 calc R . .
C89 C 0.8584(5) -0.1132(4) 0.2927(5) 0.052(2) Uani 1 1 d . . .
H89A H 0.9170 -0.0999 0.2946 0.063 Uiso 1 1 calc R . .
C90 C 0.7778(4) -0.0846(3) 0.2661(5) 0.0471(18) Uani 1 1 d . . .
H90A H 0.7817 -0.0512 0.2501 0.057 Uiso 1 1 calc R . .
C91 C 0.4247(4) 0.0460(2) 0.2706(3) 0.0206(11) Uani 1 1 d . . .
C92 C 0.5158(3) 0.0436(2) 0.2674(3) 0.0202(11) Uani 1 1 d . . .
C93 C 0.5355(4) 0.0800(2) 0.2172(3) 0.0291(13) Uani 1 1 d . . .
H93A H 0.5972 0.0809 0.2156 0.035 Uiso 1 1 calc R . .
C94 C 0.4676(4) 0.1146(3) 0.1696(4) 0.0350(15) Uani 1 1 d . . .
H94A H 0.4831 0.1383 0.1356 0.042 Uiso 1 1 calc R . .
C95 C 0.3777(4) 0.1146(3) 0.1719(4) 0.0321(14) Uani 1 1 d . . .
H95A H 0.3309 0.1378 0.1390 0.039 Uiso 1 1 calc R . .
C96 C 0.3570(4) 0.0809(3) 0.2216(3) 0.0283(13) Uani 1 1 d . . .
H96A H 0.2953 0.0810 0.2233 0.034 Uiso 1 1 calc R . .
C97 C 0.3999(3) 0.0414(2) 0.4305(3) 0.0210(11) Uani 1 1 d . . .
C98 C 0.4140(4) 0.0929(3) 0.4351(4) 0.0280(13) Uani 1 1 d . . .
H98A H 0.4246 0.1097 0.3904 0.034 Uiso 1 1 calc R . .
C99 C 0.4125(4) 0.1190(2) 0.5047(4) 0.0334(14) Uani 1 1 d . . .
H99A H 0.4209 0.1539 0.5066 0.040 Uiso 1 1 calc R . .
C100 C 0.3992(4) 0.0958(3) 0.5709(4) 0.0334(14) Uani 1 1 d . . .
H10B H 0.3981 0.1145 0.6179 0.040 Uiso 1 1 calc R . .
C101 C 0.3877(4) 0.0454(3) 0.5688(4) 0.0315(14) Uani 1 1 d . . .
H10C H 0.3787 0.0292 0.6147 0.038 Uiso 1 1 calc R . .
C102 C 0.3890(4) 0.0181(2) 0.5005(3) 0.0251(12) Uani 1 1 d . . .
H10D H 0.3824 -0.0169 0.5006 0.030 Uiso 1 1 calc R . .
C103 C 0.2747(3) -0.0120(2) 0.2823(3) 0.0225(12) Uani 1 1 d . . .
C104 C 0.2427(4) -0.0224(3) 0.1947(3) 0.0347(16) Uani 1 1 d . . .
H10E H 0.2862 -0.0204 0.1672 0.042 Uiso 1 1 calc R . .
C105 C 0.1479(4) -0.0357(3) 0.1471(4) 0.0429(18) Uani 1 1 d . . .
H10F H 0.1272 -0.0421 0.0875 0.051 Uiso 1 1 calc R . .
C106 C 0.0851(4) -0.0395(3) 0.1863(4) 0.0407(17) Uani 1 1 d . . .
H10G H 0.0208 -0.0488 0.1537 0.049 Uiso 1 1 calc R . .
C107 C 0.1142(4) -0.0299(3) 0.2734(4) 0.0363(15) Uani 1 1 d . . .
H10H H 0.0705 -0.0331 0.3006 0.044 Uiso 1 1 calc R . .
C108 C 0.2092(4) -0.0154(2) 0.3206(4) 0.0292(13) Uani 1 1 d . . .
H10I H 0.2289 -0.0078 0.3797 0.035 Uiso 1 1 calc R . .
C109 C 0.8508(3) -0.0176(2) 0.7464(3) 0.0177(11) Uani 1 1 d . . .
C110 C 0.8832(3) -0.0673(2) 0.7235(3) 0.0188(11) Uani 1 1 d . . .
C111 C 0.6815(3) 0.04604(19) 0.5969(3) 0.0147(10) Uani 1 1 d . . .
C112 C 0.6282(3) 0.0192(2) 0.5103(3) 0.0161(10) Uani 1 1 d . . .
C113 C 0.7824(3) -0.1184(2) 0.5286(3) 0.0175(10) Uani 1 1 d . . .
C114 C 0.7038(3) -0.0898(2) 0.4575(3) 0.0171(10) Uani 1 1 d . . .
C115 C 0.9933(4) 0.1481(2) 0.6696(4) 0.0271(12) Uani 1 1 d . . .
H11B H 0.9656 0.1769 0.6826 0.033 Uiso 1 1 calc R . .
C116 C 1.0651(4) 0.1540(3) 0.6402(4) 0.0313(14) Uani 1 1 d . . .
H11C H 1.0858 0.1862 0.6327 0.038 Uiso 1 1 calc R . .
C117 C 1.1069(4) 0.1126(3) 0.6218(4) 0.0320(15) Uani 1 1 d . . .
H11D H 1.1578 0.1154 0.6030 0.038 Uiso 1 1 calc R . .
C118 C 1.0723(4) 0.0674(3) 0.6316(4) 0.0362(15) Uani 1 1 d . . .
H11E H 1.0988 0.0381 0.6190 0.043 Uiso 1 1 calc R . .
C119 C 0.9988(4) 0.0645(2) 0.6598(3) 0.0283(13) Uani 1 1 d . . .
H11F H 0.9743 0.0328 0.6643 0.034 Uiso 1 1 calc R . .
C120 C 0.9969(4) -0.0545(3) 0.5073(3) 0.0279(12) Uani 1 1 d . . .
H12B H 0.9298 -0.0597 0.4860 0.034 Uiso 1 1 calc R . .
C121 C 1.0315(5) -0.0224(3) 0.4630(4) 0.0367(15) Uani 1 1 d . . .
H12C H 0.9893 -0.0066 0.4122 0.044 Uiso 1 1 calc R . .
C122 C 1.1283(5) -0.0135(3) 0.4936(4) 0.0408(17) Uani 1 1 d . . .
H12D H 1.1543 0.0085 0.4647 0.049 Uiso 1 1 calc R . .
C123 C 1.1870(5) -0.0377(3) 0.5680(5) 0.0404(16) Uani 1 1 d . . .
H12E H 1.2542 -0.0326 0.5910 0.049 Uiso 1 1 calc R . .
C124 C 1.1459(4) -0.0692(2) 0.6074(4) 0.0314(14) Uani 1 1 d . . .
H12F H 1.1865 -0.0853 0.6585 0.038 Uiso 1 1 calc R . .
C125 C 0.7234(5) -0.1623(3) 0.7851(4) 0.0437(18) Uani 1 1 d . . .
H12G H 0.7487 -0.1298 0.7920 0.052 Uiso 1 1 calc R . .
C126 C 0.6654(6) -0.1755(4) 0.8274(5) 0.066(3) Uani 1 1 d . . .
H12H H 0.6515 -0.1525 0.8633 0.079 Uiso 1 1 calc R . .
C127 C 0.6276(6) -0.2235(4) 0.8160(5) 0.070(3) Uani 1 1 d . . .
H12I H 0.5891 -0.2337 0.8456 0.084 Uiso 1 1 calc R . .
C128 C 0.6458(4) -0.2553(3) 0.7629(4) 0.0410(18) Uani 1 1 d . . .
H12J H 0.6196 -0.2877 0.7531 0.049 Uiso 1 1 calc R . .
C129 C 0.7050(4) -0.2385(3) 0.7229(4) 0.0322(14) Uani 1 1 d . . .
H12K H 0.7172 -0.2604 0.6846 0.039 Uiso 1 1 calc R . .
C130 C 0.7592(4) 0.0434(2) 0.2634(3) 0.0270(13) Uani 1 1 d . . .
H13A H 0.7160 0.0300 0.2108 0.032 Uiso 1 1 calc R . .
C131 C 0.8381(4) 0.0689(3) 0.2640(4) 0.0375(16) Uani 1 1 d . . .
H13B H 0.8491 0.0726 0.2129 0.045 Uiso 1 1 calc R . .
C132 C 0.9011(4) 0.0891(3) 0.3405(4) 0.0355(14) Uani 1 1 d . . .
H13C H 0.9555 0.1073 0.3429 0.043 Uiso 1 1 calc R . .
C133 C 0.8826(4) 0.0821(3) 0.4124(4) 0.0313(14) Uani 1 1 d . . .
H13D H 0.9242 0.0957 0.4655 0.038 Uiso 1 1 calc R . .
C134 C 0.8033(4) 0.0550(2) 0.4077(3) 0.0270(12) Uani 1 1 d . . .
H13E H 0.7928 0.0494 0.4586 0.032 Uiso 1 1 calc R . .
C135 C 0.3541(4) -0.1122(2) 0.4539(4) 0.0274(13) Uani 1 1 d . . .
H13F H 0.3080 -0.0927 0.4109 0.033 Uiso 1 1 calc R . .
C136 C 0.3227(4) -0.1450(3) 0.4994(4) 0.0304(14) Uani 1 1 d . . .
H13G H 0.2565 -0.1474 0.4878 0.037 Uiso 1 1 calc R . .
C137 C 0.3882(5) -0.1744(3) 0.5623(4) 0.0398(16) Uani 1 1 d . . .
H13H H 0.3682 -0.1979 0.5936 0.048 Uiso 1 1 calc R . .
C138 C 0.4835(4) -0.1680(3) 0.5773(4) 0.0416(17) Uani 1 1 d . . .
H13I H 0.5307 -0.1872 0.6199 0.050 Uiso 1 1 calc R . .
C140 C 0.5108(4) -0.1334(3) 0.5303(3) 0.0272(12) Uani 1 1 d . . .
H14B H 0.5769 -0.1287 0.5431 0.033 Uiso 1 1 calc R . .
C141 C 0.5577(4) -0.0403(3) 0.7027(4) 0.0334(14) Uani 1 1 d . . .
H14C H 0.5503 -0.0219 0.6501 0.040 Uiso 1 1 calc R . .
H14D H 0.6104 -0.0644 0.7148 0.040 Uiso 1 1 calc R . .
Cl5 Cl 0.6580(2) 0.57720(14) 0.2169(2) 0.1042(10) Uiso 1 1 d . . .
Cl6 Cl 0.6532(4) 0.6214(2) 0.0637(4) 0.181(2) Uiso 1 1 d . . .
Cl7 Cl 0.5262(6) 0.8210(4) -0.0125(6) 0.146(3) Uiso 0.50 1 d P . .
Cl8 Cl 0.5336(6) 0.7217(4) -0.0076(5) 0.132(3) Uiso 0.50 1 d P . .
C3S C 0.7184(8) 0.6088(5) 0.1613(8) 0.100(4) Uiso 1 1 d . . .
H3SA H 0.7447 0.6401 0.1918 0.120 Uiso 1 1 calc R . .
H3SB H 0.7729 0.5882 0.1628 0.120 Uiso 1 1 calc R . .
C4S C 0.4821(13) 0.7668(8) -0.0074(12) 0.067(5) Uiso 0.50 1 d P . .
H4SA H 0.4692 0.7663 0.0455 0.080 Uiso 0.50 1 calc PR . .
H4SB H 0.4194 0.7646 -0.0561 0.080 Uiso 0.50 1 calc PR . .
Cl4 Cl 0.8263(5) 0.7283(3) 0.1855(4) 0.1045(19) Uiso 0.50 1 d PD . .
Cl3 Cl 0.7879(4) 0.7749(3) 0.0268(4) 0.0967(18) Uiso 0.50 1 d PD . .
C2S C 0.7655(19) 0.7776(9) 0.1123(12) 0.118(9) Uiso 0.50 1 d PD . .
H2SA H 0.6958 0.7747 0.0966 0.142 Uiso 0.50 1 calc PR . .
H2SB H 0.7867 0.8099 0.1408 0.142 Uiso 0.50 1 calc PR . .
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 88.73(18) . . ?
C20 Rh1 O5 169.60(19) . . ?
O1 Rh1 O5 80.92(14) . . ?
C20 Rh1 P1 94.18(16) . . ?
O1 Rh1 P1 172.95(10) . . ?
O5 Rh1 P1 95.97(11) . . ?
C20 Rh1 N1 94.64(17) . . ?
O1 Rh1 N1 85.16(16) . . ?
O5 Rh1 N1 85.65(14) . . ?
P1 Rh1 N1 100.97(13) . . ?
C20 Rh1 Rh2 96.13(14) . . ?
O1 Rh1 Rh2 85.03(9) . . ?
O5 Rh1 Rh2 81.94(8) . . ?
P1 Rh1 Rh2 88.27(4) . . ?
N1 Rh1 Rh2 165.25(13) . . ?
C2 Rh2 O6 93.45(17) . . ?
C2 Rh2 O2 175.53(16) . . ?
O6 Rh2 O2 82.14(14) . . ?
C2 Rh2 P2 90.16(14) . . ?
O6 Rh2 P2 175.83(10) . . ?
O2 Rh2 P2 94.28(10) . . ?
C2 Rh2 Rh1 95.71(14) . . ?
O6 Rh2 Rh1 87.87(9) . . ?
O2 Rh2 Rh1 84.88(9) . . ?
P2 Rh2 Rh1 89.70(4) . . ?
C2 Rh2 Cl2 97.01(15) . . ?
O6 Rh2 Cl2 83.05(10) . . ?
O2 Rh2 Cl2 81.80(10) . . ?
P2 Rh2 Cl2 98.58(5) . . ?
Rh1 Rh2 Cl2 164.78(4) . . ?
C56 Rh3 O9 91.08(17) . . ?
C56 Rh3 O3 172.94(16) . . ?
O9 Rh3 O3 81.88(13) . . ?
C56 Rh3 P3 88.72(14) . . ?
O9 Rh3 P3 173.36(10) . . ?
O3 Rh3 P3 98.33(9) . . ?
C56 Rh3 N3 94.73(19) . . ?
O9 Rh3 N3 83.62(15) . . ?
O3 Rh3 N3 84.02(15) . . ?
P3 Rh3 N3 103.01(12) . . ?
C56 Rh3 Rh4 97.58(15) . . ?
O9 Rh3 Rh4 85.61(9) . . ?
O3 Rh3 Rh4 82.48(9) . . ?
P3 Rh3 Rh4 87.84(4) . . ?
N3 Rh3 Rh4 163.78(12) . . ?
C38 Rh4 O4 90.33(18) . . ?
C38 Rh4 O10 171.57(18) . . ?
O4 Rh4 O10 81.29(14) . . ?
C38 Rh4 P4 90.81(15) . . ?
O4 Rh4 P4 173.20(10) . . ?
O10 Rh4 P4 97.62(10) . . ?
C38 Rh4 N4 91.89(17) . . ?
O4 Rh4 N4 84.92(16) . . ?
O10 Rh4 N4 86.50(14) . . ?
P4 Rh4 N4 101.74(14) . . ?
C38 Rh4 Rh3 97.65(14) . . ?
O4 Rh4 Rh3 86.19(9) . . ?
O10 Rh4 Rh3 82.78(9) . . ?
P4 Rh4 Rh3 87.02(4) . . ?
N4 Rh4 Rh3 167.00(13) . . ?
C92 Rh5 O7 88.15(17) . . ?
C92 Rh5 O11 172.15(17) . . ?
O7 Rh5 O11 84.05(14) . . ?
C92 Rh5 P5 95.26(15) . . ?
O7 Rh5 P5 172.58(11) . . ?
O11 Rh5 P5 92.58(10) . . ?
C92 Rh5 N5 95.46(19) . . ?
O7 Rh5 N5 84.48(15) . . ?
O11 Rh5 N5 82.95(15) . . ?
P5 Rh5 N5 101.70(12) . . ?
C92 Rh5 Rh6 97.12(15) . . ?
O7 Rh5 Rh6 85.95(10) . . ?
O11 Rh5 Rh6 83.23(9) . . ?
P5 Rh5 Rh6 87.10(4) . . ?
N5 Rh5 Rh6 163.92(11) . . ?
C74 Rh6 O12 91.23(18) . . ?
C74 Rh6 P6 91.87(16) . . ?
O12 Rh6 P6 171.96(11) . . ?
C74 Rh6 O8 175.28(18) . . ?
O12 Rh6 O8 84.06(13) . . ?
P6 Rh6 O8 92.77(10) . . ?
C74 Rh6 N6 94.69(19) . . ?
O12 Rh6 N6 82.85(15) . . ?
P6 Rh6 N6 104.28(12) . . ?
O8 Rh6 N6 84.99(14) . . ?
C74 Rh6 Rh5 96.66(15) . . ?
O12 Rh6 Rh5 85.32(10) . . ?
P6 Rh6 Rh5 86.95(4) . . ?
O8 Rh6 Rh5 82.74(9) . . ?
N6 Rh6 Rh5 163.76(11) . . ?
C141 Cl2 Rh2 102.7(2) . . ?
C1 P1 C13 105.8(2) . . ?
C1 P1 C7 103.3(3) . . ?
C13 P1 C7 101.2(2) . . ?
C1 P1 Rh1 111.42(19) . . ?
C13 P1 Rh1 112.17(19) . . ?
C7 P1 Rh1 121.40(17) . . ?
C19 P2 C31 103.6(2) . . ?
C19 P2 C25 105.9(2) . . ?
C31 P2 C25 106.5(2) . . ?
C19 P2 Rh2 111.71(16) . . ?
C31 P2 Rh2 113.16(17) . . ?
C25 P2 Rh2 115.08(16) . . ?
C37 P3 C49 104.1(2) . . ?
C37 P3 C43 101.1(3) . . ?
C49 P3 C43 102.8(3) . . ?
C37 P3 Rh3 112.59(17) . . ?
C49 P3 Rh3 116.20(19) . . ?
C43 P3 Rh3 118.13(17) . . ?
C55 P4 C61 101.6(2) . . ?
C55 P4 C67 104.4(2) . . ?
C61 P4 C67 100.6(2) . . ?
C55 P4 Rh4 113.3(2) . . ?
C61 P4 Rh4 120.08(17) . . ?
C67 P4 Rh4 114.83(19) . . ?
C73 P5 C79 99.5(2) . . ?
C73 P5 C85 105.8(3) . . ?
C79 P5 C85 102.9(3) . . ?
C73 P5 Rh5 113.08(17) . . ?
C79 P5 Rh5 123.4(2) . . ?
C85 P5 Rh5 110.32(19) . . ?
C91 P6 C97 105.0(3) . . ?
C91 P6 C103 102.4(2) . . ?
C97 P6 C103 103.6(2) . . ?
C91 P6 Rh6 114.26(17) . . ?
C97 P6 Rh6 111.06(17) . . ?
C103 P6 Rh6 119.1(2) . . ?
C109 O1 Rh1 118.1(3) . . ?
C109 O2 Rh2 117.5(3) . . ?
C110 O3 Rh3 119.2(4) . . ?
C110 O4 Rh4 116.6(3) . . ?
C111 O5 Rh1 120.2(3) . . ?
C111 O6 Rh2 114.2(3) . . ?
C112 O7 Rh5 116.9(4) . . ?
C112 O8 Rh6 118.0(3) . . ?
C113 O9 Rh3 115.9(3) . . ?
C113 O10 Rh4 119.3(3) . . ?
C114 O11 Rh5 118.3(3) . . ?
C114 O12 Rh6 115.9(4) . . ?
C115 N1 C119 117.2(5) . . ?
C115 N1 Rh1 125.7(4) . . ?
C119 N1 Rh1 117.0(4) . . ?
C120 N3 C124 116.3(5) . . ?
C120 N3 Rh3 119.1(4) . . ?
C124 N3 Rh3 124.6(4) . . ?
C129 N4 C125 117.5(5) . . ?
C129 N4 Rh4 124.3(4) . . ?
C125 N4 Rh4 117.3(4) . . ?
C130 N5 C134 118.0(5) . . ?
C130 N5 Rh5 125.5(4) . . ?
C134 N5 Rh5 116.5(3) . . ?
C135 N6 C140 117.4(5) . . ?
C135 N6 Rh6 126.3(4) . . ?
C140 N6 Rh6 116.2(3) . . ?
C6 C1 C2 122.6(4) . . ?
C6 C1 P1 122.0(4) . . ?
C2 C1 P1 115.4(4) . . ?
C1 C2 C3 114.7(5) . . ?
C1 C2 Rh2 124.0(3) . . ?
C3 C2 Rh2 121.3(4) . . ?
C4 C3 C2 122.5(6) . . ?
C3 C4 C5 121.1(5) . . ?
C6 C5 C4 118.2(5) . . ?
C5 C6 C1 120.7(5) . . ?
C8 C7 C12 118.3(5) . . ?
C8 C7 P1 122.3(4) . . ?
C12 C7 P1 119.4(4) . . ?
C9 C8 C7 120.9(6) . . ?
C8 C9 C10 120.3(6) . . ?
C11 C10 C9 119.1(7) . . ?
C10 C11 C12 121.3(6) . . ?
C11 C12 C7 119.9(5) . . ?
C14 C13 C18 118.0(5) . . ?
C14 C13 P1 119.9(4) . . ?
C18 C13 P1 122.0(4) . . ?
C13 C14 C15 121.4(5) . . ?
C16 C15 C14 119.9(5) . . ?
C15 C16 C17 119.5(5) . . ?
C16 C17 C18 120.5(6) . . ?
C17 C18 C13 120.7(5) . . ?
C20 C19 C24 121.7(5) . . ?
C20 C19 P2 118.8(4) . . ?
C24 C19 P2 119.4(4) . . ?
C19 C20 C21 115.5(5) . . ?
C19 C20 Rh1 121.4(4) . . ?
C21 C20 Rh1 122.3(4) . . ?
C22 C21 C20 122.4(5) . . ?
C21 C22 C23 121.4(5) . . ?
C24 C23 C22 117.7(5) . . ?
C23 C24 C19 121.2(5) . . ?
C26 C25 C30 118.2(5) . . ?
C26 C25 P2 121.6(4) . . ?
C30 C25 P2 119.4(4) . . ?
C25 C26 C27 121.0(5) . . ?
C28 C27 C26 120.3(6) . . ?
C27 C28 C29 119.8(5) . . ?
C28 C29 C30 119.7(5) . . ?
C29 C30 C25 120.8(6) . . ?
C36 C31 C32 116.9(6) . . ?
C36 C31 P2 118.5(4) . . ?
C32 C31 P2 124.2(5) . . ?
C33 C32 C31 121.1(7) . . ?
C32 C33 C34 120.6(7) . . ?
C35 C34 C33 118.6(7) . . ?
C34 C35 C36 120.1(6) . . ?
C35 C36 C31 122.5(6) . . ?
C38 C37 C42 120.8(5) . . ?
C38 C37 P3 118.2(4) . . ?
C42 C37 P3 121.0(4) . . ?
C39 C38 C37 116.0(5) . . ?
C39 C38 Rh4 122.2(4) . . ?
C37 C38 Rh4 121.8(4) . . ?
C38 C39 C40 123.0(5) . . ?
C41 C40 C39 119.3(5) . . ?
C42 C41 C40 119.7(5) . . ?
C41 C42 C37 121.0(5) . . ?
C48 C43 C44 119.3(6) . . ?
C48 C43 P3 118.4(5) . . ?
C44 C43 P3 122.2(6) . . ?
C43 C44 C45 116.0(9) . . ?
C46 C45 C44 121.7(8) . . ?
C47 C46 C45 121.3(8) . . ?
C46 C47 C48 120.9(9) . . ?
C43 C48 C47 120.9(7) . . ?
C50 C49 C54 117.3(6) . . ?
C50 C49 P3 120.9(4) . . ?
C54 C49 P3 121.8(5) . . ?
C49 C50 C51 120.9(5) . . ?
C52 C51 C50 121.2(7) . . ?
C53 C52 C51 117.9(7) . . ?
C52 C53 C54 121.4(6) . . ?
C53 C54 C49 121.1(7) . . ?
C60 C55 C56 121.8(4) . . ?
C60 C55 P4 122.2(5) . . ?
C56 C55 P4 116.0(4) . . ?
C55 C56 C57 114.9(5) . . ?
C55 C56 Rh3 122.7(3) . . ?
C57 C56 Rh3 122.4(4) . . ?
C58 C57 C56 122.9(5) . . ?
C59 C58 C57 120.6(5) . . ?
C58 C59 C60 118.9(5) . . ?
C59 C60 C55 120.7(6) . . ?
C66 C61 C62 117.6(5) . . ?
C66 C61 P4 122.6(4) . . ?
C62 C61 P4 119.9(4) . . ?
C63 C62 C61 121.4(5) . . ?
C62 C63 C64 120.6(5) . . ?
C63 C64 C65 119.6(6) . . ?
C66 C65 C64 119.5(6) . . ?
C65 C66 C61 121.4(5) . . ?
C72 C67 C68 118.6(5) . . ?
C72 C67 P4 120.1(4) . . ?
C68 C67 P4 121.1(4) . . ?
C69 C68 C67 120.0(5) . . ?
C70 C69 C68 120.7(6) . . ?
C69 C70 C71 120.1(5) . . ?
C70 C71 C72 120.1(6) . . ?
C67 C72 C71 120.4(5) . . ?
C74 C73 C78 122.0(5) . . ?
C74 C73 P5 117.7(4) . . ?
C78 C73 P5 120.3(4) . . ?
C73 C74 C75 115.8(5) . . ?
C73 C74 Rh6 121.1(4) . . ?
C75 C74 Rh6 122.9(4) . . ?
C76 C75 C74 122.5(5) . . ?
C75 C76 C77 120.1(6) . . ?
C78 C77 C76 119.4(5) . . ?
C77 C78 C73 120.1(5) . . ?
C80 C79 C84 118.1(5) . . ?
C80 C79 P5 124.0(5) . . ?
C84 C79 P5 116.9(4) . . ?
C81 C80 C79 120.5(6) . . ?
C82 C81 C80 121.2(6) . . ?
C81 C82 C83 119.9(5) . . ?
C82 C83 C84 119.1(7) . . ?
C79 C84 C83 121.1(6) . . ?
C86 C85 C90 117.3(6) . . ?
C86 C85 P5 122.8(5) . . ?
C90 C85 P5 119.4(6) . . ?
C85 C86 C87 119.9(8) . . ?
C88 C87 C86 121.6(9) . . ?
C89 C88 C87 119.7(8) . . ?
C88 C89 C90 119.0(8) . . ?
C89 C90 C85 122.4(8) . . ?
C96 C91 C92 120.9(5) . . ?
C96 C91 P6 122.2(4) . . ?
C92 C91 P6 116.9(4) . . ?
C91 C92 C93 115.8(5) . . ?
C91 C92 Rh5 121.7(4) . . ?
C93 C92 Rh5 122.3(4) . . ?
C94 C93 C92 122.4(5) . . ?
C95 C94 C93 119.9(6) . . ?
C96 C95 C94 119.4(6) . . ?
C95 C96 C91 121.5(5) . . ?
C98 C97 C102 117.5(5) . . ?
C98 C97 P6 123.6(4) . . ?
C102 C97 P6 118.8(5) . . ?
C99 C98 C97 119.9(6) . . ?
C100 C99 C98 121.6(6) . . ?
C99 C100 C101 119.5(6) . . ?
C100 C101 C102 120.5(6) . . ?
C101 C102 C97 120.9(6) . . ?
C108 C103 C104 117.9(5) . . ?
C108 C103 P6 123.0(4) . . ?
C104 C103 P6 119.1(4) . . ?
C105 C104 C103 121.2(5) . . ?
C106 C105 C104 119.9(6) . . ?
C105 C106 C107 120.8(5) . . ?
C106 C107 C108 119.0(5) . . ?
C103 C108 C107 121.2(5) . . ?
O2 C109 O1 126.4(5) . . ?
O2 C109 C110 117.8(5) . . ?
O1 C109 C110 115.8(4) . . ?
O4 C110 O3 127.3(5) . . ?
O4 C110 C109 117.7(4) . . ?
O3 C110 C109 115.1(5) . . ?
O5 C111 O6 127.6(4) . . ?
O5 C111 C112 116.3(4) . . ?
O6 C111 C112 116.0(4) . . ?
O8 C112 O7 128.0(5) . . ?
O8 C112 C111 117.5(4) . . ?
O7 C112 C111 114.5(4) . . ?
O9 C113 O10 126.6(5) . . ?
O9 C113 C114 117.7(4) . . ?
O10 C113 C114 115.7(4) . . ?
O11 C114 O12 127.5(5) . . ?
O11 C114 C113 117.2(4) . . ?
O12 C114 C113 115.3(5) . . ?
N1 C115 C116 123.1(6) . . ?
C115 C116 C117 119.2(6) . . ?
C118 C117 C116 117.7(5) . . ?
C117 C118 C119 119.7(6) . . ?
N1 C119 C118 122.9(6) . . ?
N3 C120 C121 124.1(6) . . ?
C122 C121 C120 118.9(6) . . ?
C121 C122 C123 118.3(6) . . ?
C124 C123 C122 118.7(6) . . ?
N3 C124 C123 123.8(6) . . ?
N4 C125 C126 122.1(8) . . ?
C125 C126 C127 118.4(8) . . ?
C128 C127 C126 120.1(6) . . ?
C127 C128 C129 117.1(8) . . ?
N4 C129 C128 124.7(7) . . ?
N5 C130 C131 123.0(5) . . ?
C130 C131 C132 118.8(5) . . ?
C133 C132 C131 118.2(6) . . ?
C132 C133 C134 120.0(5) . . ?
N5 C134 C133 122.0(5) . . ?
N6 C135 C136 123.4(5) . . ?
C135 C136 C137 119.8(5) . . ?
C138 C137 C136 117.0(6) . . ?
C137 C138 C140 120.4(6) . . ?
N6 C140 C138 121.9(5) . . ?
Cl1 C141 Cl2 108.9(3) . . ?
Cl6 C3S Cl5 114.4(7) . . ?
Cl8 C4S Cl7 121.4(13) . . ?
Cl3 C2S Cl4 110.6(12) . . ?
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 2.029(5) . ?
Rh1 O1 2.117(4) . ?
Rh1 O5 2.183(3) . ?
Rh1 P1 2.2183(15) . ?
Rh1 N1 2.229(4) . ?
Rh1 Rh2 2.5252(5) . ?
Rh2 C2 1.996(5) . ?
Rh2 O6 2.122(3) . ?
Rh2 O2 2.182(4) . ?
Rh2 P2 2.2088(12) . ?
Rh2 Cl2 2.6364(16) . ?
Rh3 C56 1.995(5) . ?
Rh3 O9 2.129(3) . ?
Rh3 O3 2.178(4) . ?
Rh3 P3 2.2349(13) . ?
Rh3 N3 2.267(4) . ?
Rh3 Rh4 2.5567(5) . ?
Rh4 C38 2.015(5) . ?
Rh4 O4 2.123(4) . ?
Rh4 O10 2.174(3) . ?
Rh4 P4 2.2182(14) . ?
Rh4 N4 2.273(4) . ?
Rh5 C92 2.018(5) . ?
Rh5 O7 2.111(3) . ?
Rh5 O11 2.193(3) . ?
Rh5 P5 2.2111(14) . ?
Rh5 N5 2.254(4) . ?
Rh5 Rh6 2.5626(5) . ?
Rh6 C74 2.015(5) . ?
Rh6 O12 2.128(4) . ?
Rh6 P6 2.1993(14) . ?
Rh6 O8 2.205(3) . ?
Rh6 N6 2.302(4) . ?
Cl1 C141 1.759(6) . ?
Cl2 C141 1.763(6) . ?
P1 C1 1.802(5) . ?
P1 C13 1.838(5) . ?
P1 C7 1.841(6) . ?
P2 C19 1.810(5) . ?
P2 C31 1.838(6) . ?
P2 C25 1.842(5) . ?
P3 C37 1.819(5) . ?
P3 C49 1.838(6) . ?
P3 C43 1.852(6) . ?
P4 C55 1.822(5) . ?
P4 C61 1.837(6) . ?
P4 C67 1.846(5) . ?
P5 C73 1.819(5) . ?
P5 C79 1.842(5) . ?
P5 C85 1.846(6) . ?
P6 C91 1.809(5) . ?
P6 C97 1.828(5) . ?
P6 C103 1.834(5) . ?
O1 C109 1.260(6) . ?
O2 C109 1.256(6) . ?
O3 C110 1.263(6) . ?
O4 C110 1.247(7) . ?
O5 C111 1.247(5) . ?
O6 C111 1.257(5) . ?
O7 C112 1.263(6) . ?
O8 C112 1.245(6) . ?
O9 C113 1.255(5) . ?
O10 C113 1.260(6) . ?
O11 C114 1.245(7) . ?
O12 C114 1.265(6) . ?
N1 C115 1.328(8) . ?
N1 C119 1.329(8) . ?
N3 C120 1.331(7) . ?
N3 C124 1.347(7) . ?
N4 C129 1.317(8) . ?
N4 C125 1.348(8) . ?
N5 C130 1.337(6) . ?
N5 C134 1.338(7) . ?
N6 C135 1.338(6) . ?
N6 C140 1.351(7) . ?
C1 C6 1.396(8) . ?
C1 C2 1.413(8) . ?
C2 C3 1.421(6) . ?
C3 C4 1.380(8) . ?
C4 C5 1.394(9) . ?
C5 C6 1.385(7) . ?
C7 C8 1.391(8) . ?
C7 C12 1.406(7) . ?
C8 C9 1.383(9) . ?
C9 C10 1.387(9) . ?
C10 C11 1.375(9) . ?
C11 C12 1.381(9) . ?
C13 C14 1.385(7) . ?
C13 C18 1.390(8) . ?
C14 C15 1.390(7) . ?
C15 C16 1.376(9) . ?
C16 C17 1.382(9) . ?
C17 C18 1.385(8) . ?
C19 C20 1.397(7) . ?
C19 C24 1.415(7) . ?
C20 C21 1.403(7) . ?
C21 C22 1.381(8) . ?
C22 C23 1.394(8) . ?
C23 C24 1.367(8) . ?
C25 C26 1.371(8) . ?
C25 C30 1.408(7) . ?
C26 C27 1.393(8) . ?
C27 C28 1.377(9) . ?
C28 C29 1.383(9) . ?
C29 C30 1.387(8) . ?
C31 C36 1.388(8) . ?
C31 C32 1.395(9) . ?
C32 C33 1.381(11) . ?
C33 C34 1.405(12) . ?
C34 C35 1.368(10) . ?
C35 C36 1.385(9) . ?
C37 C38 1.409(7) . ?
C37 C42 1.414(7) . ?
C38 C39 1.404(7) . ?
C39 C40 1.406(7) . ?
C40 C41 1.381(8) . ?
C41 C42 1.375(8) . ?
C43 C48 1.373(10) . ?
C43 C44 1.385(9) . ?
C44 C45 1.439(12) . ?
C45 C46 1.326(16) . ?
C46 C47 1.294(14) . ?
C47 C48 1.374(9) . ?
C49 C50 1.383(9) . ?
C49 C54 1.390(8) . ?
C50 C51 1.385(9) . ?
C51 C52 1.377(9) . ?
C52 C53 1.370(11) . ?
C53 C54 1.375(10) . ?
C55 C60 1.395(8) . ?
C55 C56 1.413(8) . ?
C56 C57 1.415(6) . ?
C57 C58 1.380(8) . ?
C58 C59 1.372(9) . ?
C59 C60 1.389(7) . ?
C61 C66 1.394(8) . ?
C61 C62 1.403(7) . ?
C62 C63 1.374(8) . ?
C63 C64 1.376(8) . ?
C64 C65 1.401(8) . ?
C65 C66 1.388(8) . ?
C67 C72 1.391(7) . ?
C67 C68 1.402(8) . ?
C68 C69 1.394(8) . ?
C69 C70 1.371(9) . ?
C70 C71 1.376(9) . ?
C71 C72 1.399(8) . ?
C73 C74 1.402(7) . ?
C73 C78 1.404(8) . ?
C74 C75 1.403(7) . ?
C75 C76 1.382(8) . ?
C76 C77 1.389(8) . ?
C77 C78 1.373(9) . ?
C79 C80 1.388(8) . ?
C79 C84 1.389(9) . ?
C80 C81 1.382(8) . ?
C81 C82 1.356(11) . ?
C82 C83 1.388(10) . ?
C83 C84 1.397(7) . ?
C85 C86 1.352(10) . ?
C85 C90 1.398(9) . ?
C86 C87 1.384(11) . ?
C87 C88 1.358(13) . ?
C88 C89 1.349(13) . ?
C89 C90 1.367(10) . ?
C91 C96 1.403(8) . ?
C91 C92 1.408(7) . ?
C92 C93 1.408(8) . ?
C93 C94 1.394(8) . ?
C94 C95 1.383(8) . ?
C95 C96 1.358(8) . ?
C97 C98 1.404(9) . ?
C97 C102 1.411(7) . ?
C98 C99 1.385(8) . ?
C99 C100 1.368(9) . ?
C100 C101 1.372(10) . ?
C101 C102 1.381(8) . ?
C103 C108 1.389(7) . ?
C103 C104 1.399(7) . ?
C104 C105 1.396(8) . ?
C105 C106 1.364(9) . ?
C106 C107 1.391(9) . ?
C107 C108 1.406(8) . ?
C109 C110 1.533(7) . ?
C111 C112 1.552(6) . ?
C113 C114 1.533(7) . ?
C115 C116 1.377(7) . ?
C116 C117 1.381(10) . ?
C117 C118 1.363(10) . ?
C118 C119 1.380(8) . ?
C120 C121 1.380(8) . ?
C121 C122 1.378(9) . ?
C122 C123 1.391(10) . ?
C123 C124 1.375(9) . ?
C125 C126 1.384(9) . ?
C126 C127 1.402(14) . ?
C127 C128 1.350(12) . ?
C128 C129 1.398(8) . ?
C130 C131 1.381(8) . ?
C131 C132 1.389(9) . ?
C132 C133 1.367(8) . ?
C133 C134 1.385(8) . ?
C135 C136 1.376(8) . ?
C136 C137 1.390(9) . ?
C137 C138 1.381(9) . ?
C138 C140 1.393(9) . ?
Cl5 C3S 1.773(12) . ?
Cl6 C3S 1.600(12) . ?
Cl7 C4S 1.63(2) . ?
Cl8 C4S 1.45(2) . ?
Cl4 C2S 1.808(17) . ?
Cl3 C2S 1.617(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
O1 Rh1 Rh2 O2 -17.60(12) . . . . ?
O5 Rh1 Rh2 O6 -18.38(15) . . . . ?
P1 Rh1 Rh2 P2 -105.49(5) . . . . ?
P1 Rh1 Rh2 C2 -15.36(14) . . . . ?
C20 Rh1 Rh2 P2 -11.46(16) . . . . ?
C20 Rh1 Rh2 C2 78.7(2) . . . . ?
O3 Rh3 Rh4 O4 -19.34(13) . . . . ?
O9 Rh3 Rh4 O10 -20.03(15) . . . . ?
P3 Rh3 Rh4 P4 -100.89(5) . . . . ?
P3 Rh3 Rh4 C38 -10.47(15) . . . . ?
C56 Rh3 Rh4 P4 -12.46(14) . . . . ?
C56 Rh1 Rh2 C38 17.94(5) . . . . ?
O7 Rh5 Rh6 O8 -19.35(14) . . . . ?
O11 Rh5 Rh6 O12 -19.46(13) . . . . ?
P5 Rh5 Rh6 P6 -108.73(5) . . . . ?
P5 Rh5 Rh6 C74 -17.21(16) . . . . ?
C92 Rh5 Rh6 P6 -13.78(15) . . . . ?
C92 Rh5 Rh6 C74 77.7(2) . . . . ?
