#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/23/4112326.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_4112326
loop_
_publ_author_name
'Vladimir V. Grushin'
'William J. Marshall'
_publ_section_title
;
 The Fluoro Analogue of Wilkinson's Catalyst and Unexpected Ph-Cl
 Activation
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              3068
_journal_page_last               3069
_journal_paper_doi               10.1021/ja049844z
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'C63 H52.5 I3 P3 Rh1.5'
_chemical_formula_weight         1437.53
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 124.242(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   38.807(4)
_cell_length_b                   14.6424(14)
_cell_length_c                   23.566(2)
_cell_measurement_temperature    293(2)
_cell_volume                     11069.8(18)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.906
_diffrn_measured_fraction_theta_max 0.906
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0226
_diffrn_reflns_av_sigmaI/netI    0.0324
_diffrn_reflns_limit_h_max       50
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            26623
_diffrn_reflns_theta_full        28.26
_diffrn_reflns_theta_max         28.26
_diffrn_reflns_theta_min         1.53
_exptl_absorpt_coefficient_mu    2.252
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            dk.red
_exptl_crystal_density_diffrn    1.725
_exptl_crystal_density_meas      multirun
_exptl_crystal_description       prism
_exptl_crystal_F_000             5616
_exptl_crystal_size_max          .14
_exptl_crystal_size_mid          .38
_exptl_crystal_size_min          .42
_refine_diff_density_max         1.221
_refine_diff_density_min         -0.587
_refine_diff_density_rms         0.095
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     637
_refine_ls_number_reflns         12416
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0395
_refine_ls_R_factor_gt           0.0277
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0326P)²+5.9894P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0647
_refine_ls_wR_factor_ref         0.0705
_reflns_number_gt                10040
_reflns_number_total             12416
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja049844zsi20040115_093707.cif
_cod_data_source_block           03338
_cod_original_formula_sum        'C63 H52.50 I3 P3 Rh1.50'
_cod_database_code               4112326
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
I1 I 0.249926(5) 0.519258(12) 0.705319(9) 0.02482(5) Uani 1 1 d .
I2 I 0.411332(5) 0.510669(12) 0.811141(9) 0.02506(5) Uani 1 1 d .
Rh1 Rh 0.330154(6) 0.492778(13) 0.755287(10) 0.01762(5) Uani 1 1 d .
P1 P 0.34020(2) 0.50228(4) 0.86491(4) 0.01982(14) Uani 1 1 d .
P2 P 0.32076(2) 0.50197(4) 0.64673(4) 0.01987(14) Uani 1 1 d .
C1 C 0.32759(8) 0.35507(17) 0.75073(14) 0.0224(6) Uani 1 1 d .
C2 C 0.29174(9) 0.31052(18) 0.69857(15) 0.0275(6) Uani 1 1 d .
H2A H 0.2692 0.3445 0.6646 0.033 Uiso 1 1 calc R
C3 C 0.28947(10) 0.21595(19) 0.69714(17) 0.0368(7) Uani 1 1 d .
H3A H 0.2651 0.1871 0.6629 0.044 Uiso 1 1 calc R
C4 C 0.32311(10) 0.1640(2) 0.74617(17) 0.0412(8) Uani 1 1 d .
H4A H 0.3216 0.1006 0.7449 0.049 Uiso 1 1 calc R
C5 C 0.35894(10) 0.20802(19) 0.79687(17) 0.0383(8) Uani 1 1 d .
H5A H 0.3819 0.1737 0.8294 0.046 Uiso 1 1 calc R
C6 C 0.36125(9) 0.30271(18) 0.80005(15) 0.0286(6) Uani 1 1 d .
H6A H 0.3854 0.3312 0.8353 0.034 Uiso 1 1 calc R
C7 C 0.30206(8) 0.43718(18) 0.87090(13) 0.0222(6) Uani 1 1 d .
C8 C 0.29733(9) 0.34348(19) 0.85603(14) 0.0290(6) Uani 1 1 d .
H8A H 0.3147 0.3149 0.8461 0.035 Uiso 1 1 calc R
C9 C 0.26743(9) 0.2932(2) 0.85596(15) 0.0366(7) Uani 1 1 d .
H9A H 0.2649 0.2310 0.8464 0.044 Uiso 1 1 calc R
C10 C 0.24124(10) 0.3348(2) 0.86997(17) 0.0457(9) Uani 1 1 d .
H10A H 0.2210 0.3006 0.8699 0.055 Uiso 1 1 calc R
C11 C 0.24484(10) 0.4273(2) 0.88414(17) 0.0444(8) Uani 1 1 d .
H11A H 0.2270 0.4552 0.8934 0.053 Uiso 1 1 calc R
C12 C 0.27514(9) 0.4786(2) 0.88453(15) 0.0309(7) Uani 1 1 d .
H12A H 0.2774 0.5409 0.8939 0.037 Uiso 1 1 calc R
C13 C 0.39059(8) 0.47027(18) 0.94285(14) 0.0234(6) Uani 1 1 d .
C14 C 0.39660(9) 0.3884(2) 0.97670(16) 0.0420(8) Uani 1 1 d .
H14A H 0.3745 0.3479 0.9606 0.050 Uiso 1 1 calc R
C15 C 0.43566(11) 0.3665(2) 1.03484(19) 0.0582(11) Uani 1 1 d .
H15A H 0.4393 0.3113 1.0571 0.070 Uiso 1 1 calc R
C16 C 0.46872(10) 0.4247(2) 1.05982(17) 0.0458(9) Uani 1 1 d .
H16A H 0.4946 0.4096 1.0990 0.055 Uiso 1 1 calc R
C17 C 0.46329(9) 0.5059(2) 1.02636(16) 0.0364(8) Uani 1 1 d .
H17A H 0.4858 0.5453 1.0425 0.044 Uiso 1 1 calc R
C18 C 0.42473(9) 0.5296(2) 0.96895(15) 0.0315(7) Uani 1 1 d .
H18A H 0.4214 0.5853 0.9474 0.038 Uiso 1 1 calc R
C19 C 0.33464(8) 0.62083(18) 0.88333(14) 0.0247(6) Uani 1 1 d .
C20 C 0.34610(10) 0.6462(2) 0.94888(15) 0.0379(8) Uani 1 1 d .
H20A H 0.3576 0.6031 0.9840 0.045 Uiso 1 1 calc R
C21 C 0.34040(11) 0.7355(2) 0.96192(17) 0.0442(8) Uani 1 1 d .
H21A H 0.3480 0.7518 1.0057 0.053 Uiso 1 1 calc R
C22 C 0.32360(9) 0.8003(2) 0.91057(17) 0.0375(8) Uani 1 1 d .
H22A H 0.3197 0.8598 0.9196 0.045 Uiso 1 1 calc R
C23 C 0.31269(9) 0.77662(18) 0.84604(16) 0.0318(7) Uani 1 1 d .
H23A H 0.3016 0.8203 0.8114 0.038 Uiso 1 1 calc R
C24 C 0.31828(8) 0.68707(18) 0.83259(15) 0.0258(6) Uani 1 1 d .
H24A H 0.3109 0.6716 0.7888 0.031 Uiso 1 1 calc R
C25 C 0.27220(8) 0.46344(18) 0.56827(13) 0.0226(6) Uani 1 1 d .
C26 C 0.27113(9) 0.38939(19) 0.53019(15) 0.0333(7) Uani 1 1 d .
H26A H 0.2957 0.3593 0.5438 0.040 Uiso 1 1 calc R
C27 C 0.23350(10) 0.3598(2) 0.47180(15) 0.0389(8) Uani 1 1 d .
H27A H 0.2332 0.3107 0.4465 0.047 Uiso 1 1 calc R
C28 C 0.19681(9) 0.4035(2) 0.45164(16) 0.0372(8) Uani 1 1 d .
H28A H 0.1717 0.3830 0.4133 0.045 Uiso 1 1 calc R
C29 C 0.19722(9) 0.4774(2) 0.48820(15) 0.0343(7) Uani 1 1 d .
H29A H 0.1724 0.5068 0.4743 0.041 Uiso 1 1 calc R
C30 C 0.23432(9) 0.50796(19) 0.54540(15) 0.0284(6) Uani 1 1 d .
H30A H 0.2343 0.5587 0.5692 0.034 Uiso 1 1 calc R
C31 C 0.36125(8) 0.44373(19) 0.64303(14) 0.0257(6) Uani 1 1 d .
C32 C 0.36842(9) 0.3502(2) 0.65858(15) 0.0329(7) Uani 1 1 d .
H32A H 0.3519 0.3181 0.6689 0.039 Uiso 1 1 calc R
C33 C 0.39976(10) 0.3055(2) 0.65860(17) 0.0442(8) Uani 1 1 d .
H33A H 0.4043 0.2435 0.6688 0.053 Uiso 1 1 calc R
C34 C 0.42427(11) 0.3533(3) 0.64331(19) 0.0550(10) Uani 1 1 d .
H34A H 0.4453 0.3231 0.6432 0.066 Uiso 1 1 calc R
C35 C 0.41783(11) 0.4451(3) 0.62823(19) 0.0506(9) Uani 1 1 d .
H35A H 0.4346 0.4766 0.6181 0.061 Uiso 1 1 calc R
C36 C 0.38645(9) 0.4908(2) 0.62809(16) 0.0341(7) Uani 1 1 d .
H36A H 0.3822 0.5529 0.6180 0.041 Uiso 1 1 calc R
C37 C 0.32477(8) 0.62132(17) 0.62767(14) 0.0238(6) Uani 1 1 d .
C38 C 0.30750(10) 0.6499(2) 0.56052(15) 0.0371(7) Uani 1 1 d .
H38A H 0.2909 0.6102 0.5242 0.044 Uiso 1 1 calc R
C39 C 0.31502(11) 0.7378(2) 0.54754(17) 0.0438(8) Uani 1 1 d .
H39A H 0.3034 0.7564 0.5025 0.053 Uiso 1 1 calc R
C40 C 0.33940(10) 0.7973(2) 0.60050(17) 0.0377(8) Uani 1 1 d .
H40A H 0.3448 0.8554 0.5914 0.045 Uiso 1 1 calc R
C41 C 0.35583(9) 0.77073(18) 0.66707(16) 0.0296(7) Uani 1 1 d .
H41A H 0.3720 0.8113 0.7030 0.036 Uiso 1 1 calc R
C42 C 0.34833(8) 0.68348(17) 0.68074(15) 0.0253(6) Uani 1 1 d .
H42A H 0.3592 0.6663 0.7258 0.030 Uiso 1 1 calc R
I3 I -0.080250(5) 0.473720(13) 0.180829(10) 0.03015(6) Uani 1 1 d .
Rh2 Rh 0.0000 0.514389(19) 0.2500 0.02099(7) Uani 1 2 d S
P3 P 0.00313(2) 0.51154(5) 0.35404(4) 0.02354(15) Uani 1 1 d .
C43 C 0.0000 0.6528(2) 0.2500 0.0239(8) Uani 1 2 d S
C44 C 0.03400(8) 0.70151(18) 0.26093(15) 0.0286(6) Uani 1 1 d .
H44A H 0.0570 0.6702 0.2680 0.034 Uiso 1 1 calc R
C45 C 0.03403(10) 0.7965(2) 0.26136(16) 0.0364(7) Uani 1 1 d .
H45A H 0.0572 0.8280 0.2694 0.044 Uiso 1 1 calc R
C46 C 0.0000 0.8448(3) 0.2500 0.0402(11) Uani 1 2 d S
H46A H 0.0000 0.9083 0.2500 0.048 Uiso 1 2 calc SR
C47 C 0.05377(8) 0.54148(19) 0.43228(14) 0.0258(6) Uani 1 1 d .
C48 C 0.07413(8) 0.62018(18) 0.43182(15) 0.0275(6) Uani 1 1 d .
H48A H 0.0620 0.6555 0.3922 0.033 Uiso 1 1 calc R
C49 C 0.11220(9) 0.6459(2) 0.48992(16) 0.0340(7) Uani 1 1 d .
H49A H 0.1252 0.6989 0.4893 0.041 Uiso 1 1 calc R
C50 C 0.13104(9) 0.5931(2) 0.54875(16) 0.0412(8) Uani 1 1 d .
H50A H 0.1565 0.6103 0.5878 0.049 Uiso 1 1 calc R
C51 C 0.11144(10) 0.5146(2) 0.54850(17) 0.0446(9) Uani 1 1 d .
H51A H 0.1243 0.4781 0.5876 0.054 Uiso 1 1 calc R
C52 C 0.07303(9) 0.4887(2) 0.49158(16) 0.0371(7) Uani 1 1 d .
H52A H 0.0601 0.4360 0.4930 0.044 Uiso 1 1 calc R
C53 C -0.03323(8) 0.58714(18) 0.35820(14) 0.0261(6) Uani 1 1 d .
C54 C -0.07428(9) 0.5601(2) 0.32993(15) 0.0351(7) Uani 1 1 d .
H54A H -0.0832 0.5027 0.3099 0.042 Uiso 1 1 calc R
C55 C -0.10187(10) 0.6187(2) 0.33165(17) 0.0437(8) Uani 1 1 d .
H55A H -0.1293 0.6003 0.3124 0.052 Uiso 1 1 calc R
C56 C -0.08902(10) 0.7039(2) 0.36170(17) 0.0449(9) Uani 1 1 d .
H56A H -0.1075 0.7427 0.3631 0.054 Uiso 1 1 calc R
C57 C -0.04875(10) 0.7304(2) 0.38941(18) 0.0444(8) Uani 1 1 d .
H57A H -0.0399 0.7877 0.4097 0.053 Uiso 1 1 calc R
C58 C -0.02109(10) 0.67351(19) 0.38767(16) 0.0344(7) Uani 1 1 d .
H58A H 0.0061 0.6931 0.4065 0.041 Uiso 1 1 calc R
C59 C -0.00947(8) 0.39975(18) 0.37224(15) 0.0278(6) Uani 1 1 d .
C60 C -0.02034(9) 0.3907(2) 0.41938(15) 0.0344(7) Uani 1 1 d .
H60A H -0.0208 0.4418 0.4423 0.041 Uiso 1 1 calc R
C61 C -0.03037(10) 0.3056(2) 0.43193(17) 0.0422(8) Uani 1 1 d .
H61A H -0.0377 0.3000 0.4631 0.051 Uiso 1 1 calc R
C62 C -0.02953(10) 0.2292(2) 0.39869(18) 0.0452(9) Uani 1 1 d .
H62A H -0.0360 0.1723 0.4078 0.054 Uiso 1 1 calc R
C63 C -0.01908(10) 0.2371(2) 0.35184(19) 0.0459(9) Uani 1 1 d .
H63A H -0.0190 0.1856 0.3288 0.055 Uiso 1 1 calc R
C64 C -0.00867(9) 0.32216(19) 0.33901(16) 0.0355(7) Uani 1 1 d .
H64A H -0.0011 0.3270 0.3080 0.043 Uiso 1 1 calc R
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'
I I -0.4742 1.8119 '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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C1 Rh1 P2 91.50(8) . .
C1 Rh1 P1 95.10(8) . .
P2 Rh1 P1 173.40(2) . .
C1 Rh1 I2 97.70(7) . .
P2 Rh1 I2 87.058(18) . .
P1 Rh1 I2 91.835(18) . .
C1 Rh1 I1 96.40(7) . .
P2 Rh1 I1 94.740(18) . .
P1 Rh1 I1 84.754(18) . .
I2 Rh1 I1 165.732(11) . .
C19 P1 C7 105.49(12) . .
C19 P1 C13 101.89(12) . .
C7 P1 C13 104.00(12) . .
C19 P1 Rh1 110.01(9) . .
C7 P1 Rh1 113.93(9) . .
C13 P1 Rh1 120.01(9) . .
C37 P2 C31 103.82(12) . .
C37 P2 C25 103.12(12) . .
C31 P2 C25 103.35(12) . .
C37 P2 Rh1 109.58(9) . .
C31 P2 Rh1 114.12(9) . .
C25 P2 Rh1 121.06(9) . .
C6 C1 C2 118.7(2) . .
C6 C1 Rh1 120.72(19) . .
C2 C1 Rh1 120.57(19) . .
C3 C2 C1 120.4(3) . .
C2 C3 C4 120.7(3) . .
C5 C4 C3 118.9(3) . .
C4 C5 C6 121.1(3) . .
C5 C6 C1 120.2(3) . .
C12 C7 C8 118.3(3) . .
C12 C7 P1 122.3(2) . .
C8 C7 P1 119.2(2) . .
C9 C8 C7 121.1(3) . .
C10 C9 C8 120.0(3) . .
C9 C10 C11 120.2(3) . .
C10 C11 C12 120.1(3) . .
C11 C12 C7 120.2(3) . .
C14 C13 C18 118.1(3) . .
C14 C13 P1 122.4(2) . .
C18 C13 P1 119.4(2) . .
C13 C14 C15 120.2(3) . .
C16 C15 C14 121.2(3) . .
C15 C16 C17 119.2(3) . .
C16 C17 C18 120.6(3) . .
C17 C18 C13 120.6(3) . .
C24 C19 C20 118.3(3) . .
C24 C19 P1 121.1(2) . .
C20 C19 P1 120.5(2) . .
C21 C20 C19 120.3(3) . .
C22 C21 C20 120.6(3) . .
C23 C22 C21 119.8(3) . .
C22 C23 C24 119.9(3) . .
C19 C24 C23 121.1(3) . .
C26 C25 C30 117.8(3) . .
C26 C25 P2 122.0(2) . .
C30 C25 P2 120.1(2) . .
C25 C26 C27 120.8(3) . .
C28 C27 C26 120.0(3) . .
C29 C28 C27 120.2(3) . .
C28 C29 C30 120.2(3) . .
C29 C30 C25 120.9(3) . .
C36 C31 C32 118.9(3) . .
C36 C31 P2 121.6(2) . .
C32 C31 P2 119.4(2) . .
C33 C32 C31 120.5(3) . .
C34 C33 C32 119.6(3) . .
C33 C34 C35 120.7(3) . .
C34 C35 C36 120.2(3) . .
C35 C36 C31 120.0(3) . .
C38 C37 C42 118.5(3) . .
C38 C37 P2 120.8(2) . .
C42 C37 P2 120.4(2) . .
C37 C38 C39 120.1(3) . .
C40 C39 C38 120.7(3) . .
C39 C40 C41 119.8(3) . .
C40 C41 C42 120.1(3) . .
C41 C42 C37 120.7(3) . .
C43 Rh2 P3 91.000(18) . 2
C43 Rh2 P3 91.000(17) . .
P3 Rh2 P3 178.00(4) 2 .
C43 Rh2 I3 103.009(8) . 2
P3 Rh2 I3 89.468(18) 2 2
P3 Rh2 I3 90.079(18) . 2
C43 Rh2 I3 103.009(7) . .
P3 Rh2 I3 90.080(18) 2 .
P3 Rh2 I3 89.473(18) . .
I3 Rh2 I3 153.982(15) 2 .
C59 P3 C47 104.75(13) . .
C59 P3 C53 102.25(13) . .
C47 P3 C53 102.86(13) . .
C59 P3 Rh2 113.03(10) . .
C47 P3 Rh2 115.73(10) . .
C53 P3 Rh2 116.57(9) . .
C44 C43 C44 118.2(3) . 2
C44 C43 Rh2 120.88(17) . .
C44 C43 Rh2 120.88(17) 2 .
C43 C44 C45 120.8(3) . .
C46 C45 C44 120.8(3) . .
C45 C46 C45 118.6(4) 2 .
C52 C47 C48 118.6(3) . .
C52 C47 P3 122.8(2) . .
C48 C47 P3 118.6(2) . .
C49 C48 C47 120.5(3) . .
C50 C49 C48 120.4(3) . .
C51 C50 C49 118.9(3) . .
C50 C51 C52 121.6(3) . .
C51 C52 C47 119.9(3) . .
C58 C53 C54 118.1(3) . .
C58 C53 P3 121.3(2) . .
C54 C53 P3 120.6(2) . .
C55 C54 C53 120.2(3) . .
C56 C55 C54 120.7(3) . .
C57 C56 C55 119.2(3) . .
C56 C57 C58 120.9(3) . .
C57 C58 C53 120.9(3) . .
C64 C59 C60 118.8(3) . .
C64 C59 P3 120.4(2) . .
C60 C59 P3 120.8(2) . .
C61 C60 C59 120.0(3) . .
C62 C61 C60 120.6(3) . .
C63 C62 C61 120.0(3) . .
C62 C63 C64 120.0(3) . .
C59 C64 C63 120.5(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
I1 Rh1 2.6654(4) .
I2 Rh1 2.6569(4) .
Rh1 C1 2.019(3) .
Rh1 P2 2.3761(8) .
Rh1 P1 2.3900(8) .
P1 C19 1.831(3) .
P1 C7 1.831(3) .
P1 C13 1.837(3) .
P2 C37 1.833(3) .
P2 C31 1.833(3) .
P2 C25 1.835(3) .
C1 C6 1.392(4) .
C1 C2 1.396(4) .
C2 C3 1.387(4) .
C3 C4 1.386(4) .
C4 C5 1.381(4) .
C5 C6 1.389(4) .
C7 C12 1.393(4) .
C7 C8 1.402(4) .
C8 C9 1.373(4) .
C9 C10 1.375(4) .
C10 C11 1.383(5) .
C11 C12 1.391(4) .
C13 C14 1.386(4) .
C13 C18 1.404(4) .
C14 C15 1.393(4) .
C15 C16 1.367(5) .
C16 C17 1.376(5) .
C17 C18 1.383(4) .
C19 C24 1.385(4) .
C19 C20 1.396(4) .
C20 C21 1.390(4) .
C21 C22 1.379(4) .
C22 C23 1.374(4) .
C23 C24 1.394(4) .
C25 C26 1.393(4) .
C25 C30 1.409(4) .
C26 C27 1.397(4) .
C27 C28 1.379(4) .
C28 C29 1.378(4) .
C29 C30 1.381(4) .
C31 C36 1.394(4) .
C31 C32 1.405(4) .
C32 C33 1.381(4) .
C33 C34 1.382(5) .
C34 C35 1.378(5) .
C35 C36 1.388(4) .
C37 C38 1.391(4) .
C37 C42 1.393(4) .
C38 C39 1.391(4) .
C39 C40 1.372(4) .
C40 C41 1.376(4) .
C41 C42 1.388(4) .
I3 Rh2 2.6453(3) .
Rh2 C43 2.026(4) .
Rh2 P3 2.3860(8) 2
Rh2 P3 2.3860(8) .
Rh2 I3 2.6452(3) 2
P3 C59 1.827(3) .
P3 C47 1.837(3) .
P3 C53 1.839(3) .
C43 C44 1.391(3) .
C43 C44 1.391(3) 2
C44 C45 1.391(4) .
C45 C46 1.385(4) .
C46 C45 1.385(4) 2
C47 C52 1.391(4) .
C47 C48 1.401(4) .
C48 C49 1.387(4) .
C49 C50 1.383(4) .
C50 C51 1.376(5) .
C51 C52 1.384(4) .
C53 C58 1.391(4) .
C53 C54 1.394(4) .
C54 C55 1.390(4) .
C55 C56 1.382(5) .
C56 C57 1.368(4) .
C57 C58 1.378(4) .
C59 C64 1.390(4) .
C59 C60 1.399(4) .
C60 C61 1.387(4) .
C61 C62 1.376(5) .
C62 C63 1.379(5) .
C63 C64 1.394(4) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
C1 Rh1 P1 C19 -169.47(12) . .
P2 Rh1 P1 C19 12.4(2) . .
I2 Rh1 P1 C19 92.63(9) . .
I1 Rh1 P1 C19 -73.49(9) . .
C1 Rh1 P1 C7 -51.27(12) . .
P2 Rh1 P1 C7 130.6(2) . .
I2 Rh1 P1 C7 -149.17(9) . .
I1 Rh1 P1 C7 44.71(9) . .
C1 Rh1 P1 C13 72.93(12) . .
P2 Rh1 P1 C13 -105.2(2) . .
I2 Rh1 P1 C13 -24.98(10) . .
I1 Rh1 P1 C13 168.91(10) . .
C1 Rh1 P2 C37 -175.62(11) . .
P1 Rh1 P2 C37 2.5(2) . .
I2 Rh1 P2 C37 -77.98(9) . .
I1 Rh1 P2 C37 87.83(9) . .
C1 Rh1 P2 C31 -59.71(12) . .
P1 Rh1 P2 C31 118.4(2) . .
I2 Rh1 P2 C31 37.93(10) . .
I1 Rh1 P2 C31 -156.26(10) . .
C1 Rh1 P2 C25 64.69(12) . .
P1 Rh1 P2 C25 -117.2(2) . .
I2 Rh1 P2 C25 162.33(10) . .
I1 Rh1 P2 C25 -31.86(10) . .
P2 Rh1 C1 C6 119.3(2) . .
P1 Rh1 C1 C6 -60.5(2) . .
I2 Rh1 C1 C6 32.1(2) . .
I1 Rh1 C1 C6 -145.8(2) . .
P2 Rh1 C1 C2 -61.7(2) . .
P1 Rh1 C1 C2 118.5(2) . .
I2 Rh1 C1 C2 -148.9(2) . .
I1 Rh1 C1 C2 33.2(2) . .
C6 C1 C2 C3 1.6(4) . .
Rh1 C1 C2 C3 -177.4(2) . .
C1 C2 C3 C4 -1.9(5) . .
C2 C3 C4 C5 0.4(5) . .
C3 C4 C5 C6 1.4(5) . .
C4 C5 C6 C1 -1.7(5) . .
C2 C1 C6 C5 0.2(4) . .
Rh1 C1 C6 C5 179.2(2) . .
C19 P1 C7 C12 2.1(3) . .
C13 P1 C7 C12 108.9(2) . .
Rh1 P1 C7 C12 -118.7(2) . .
C19 P1 C7 C8 177.0(2) . .
C13 P1 C7 C8 -76.2(2) . .
Rh1 P1 C7 C8 56.2(2) . .
C12 C7 C8 C9 -1.1(4) . .
P1 C7 C8 C9 -176.1(2) . .
C7 C8 C9 C10 0.6(5) . .
C8 C9 C10 C11 0.0(5) . .
C9 C10 C11 C12 -0.2(5) . .
C10 C11 C12 C7 -0.2(5) . .
C8 C7 C12 C11 0.9(4) . .
P1 C7 C12 C11 175.8(2) . .
C19 P1 C13 C14 134.4(3) . .
C7 P1 C13 C14 24.9(3) . .
Rh1 P1 C13 C14 -103.9(3) . .
C19 P1 C13 C18 -46.8(3) . .
C7 P1 C13 C18 -156.3(2) . .
Rh1 P1 C13 C18 74.9(2) . .
C18 C13 C14 C15 -0.1(5) . .
P1 C13 C14 C15 178.7(3) . .
C13 C14 C15 C16 0.1(6) . .
C14 C15 C16 C17 -0.7(6) . .
C15 C16 C17 C18 1.3(5) . .
C16 C17 C18 C13 -1.4(5) . .
C14 C13 C18 C17 0.8(4) . .
P1 C13 C18 C17 -178.1(2) . .
C7 P1 C19 C24 -111.0(2) . .
C13 P1 C19 C24 140.7(2) . .
Rh1 P1 C19 C24 12.3(2) . .
C7 P1 C19 C20 67.8(3) . .
C13 P1 C19 C20 -40.6(3) . .
Rh1 P1 C19 C20 -169.0(2) . .
C24 C19 C20 C21 1.1(5) . .
P1 C19 C20 C21 -177.6(3) . .
C19 C20 C21 C22 -0.3(5) . .
C20 C21 C22 C23 -0.5(5) . .
C21 C22 C23 C24 0.6(5) . .
C20 C19 C24 C23 -1.1(4) . .
P1 C19 C24 C23 177.7(2) . .
C22 C23 C24 C19 0.2(4) . .
C37 P2 C25 C26 122.2(2) . .
C31 P2 C25 C26 14.3(3) . .
Rh1 P2 C25 C26 -115.0(2) . .
C37 P2 C25 C30 -58.9(2) . .
C31 P2 C25 C30 -166.8(2) . .
Rh1 P2 C25 C30 63.9(2) . .
C30 C25 C26 C27 -0.9(4) . .
P2 C25 C26 C27 178.0(2) . .
C25 C26 C27 C28 -0.6(5) . .
C26 C27 C28 C29 1.2(5) . .
C27 C28 C29 C30 -0.3(5) . .
C28 C29 C30 C25 -1.3(4) . .
C26 C25 C30 C29 1.8(4) . .
P2 C25 C30 C29 -177.1(2) . .
C37 P2 C31 C36 -0.2(3) . .
C25 P2 C31 C36 107.2(2) . .
Rh1 P2 C31 C36 -119.4(2) . .
C37 P2 C31 C32 177.0(2) . .
C25 P2 C31 C32 -75.7(2) . .
Rh1 P2 C31 C32 57.7(2) . .
C36 C31 C32 C33 -0.4(4) . .
P2 C31 C32 C33 -177.6(2) . .
C31 C32 C33 C34 0.1(5) . .
C32 C33 C34 C35 0.2(5) . .
C33 C34 C35 C36 -0.1(6) . .
C34 C35 C36 C31 -0.2(5) . .
C32 C31 C36 C35 0.5(5) . .
P2 C31 C36 C35 177.6(3) . .
C31 P2 C37 C38 79.0(3) . .
C25 P2 C37 C38 -28.6(3) . .
Rh1 P2 C37 C38 -158.8(2) . .
C31 P2 C37 C42 -95.4(2) . .
C25 P2 C37 C42 157.1(2) . .
Rh1 P2 C37 C42 26.9(2) . .
C42 C37 C38 C39 2.1(5) . .
P2 C37 C38 C39 -172.3(3) . .
C37 C38 C39 C40 -0.1(5) . .
C38 C39 C40 C41 -1.5(5) . .
C39 C40 C41 C42 1.0(5) . .
C40 C41 C42 C37 1.1(4) . .
C38 C37 C42 C41 -2.6(4) . .
P2 C37 C42 C41 171.8(2) . .
C43 Rh2 P3 C59 165.06(10) . .
P3 Rh2 P3 C59 -15.03(10) 2 .
I3 Rh2 P3 C59 -91.92(10) 2 .
I3 Rh2 P3 C59 62.06(10) . .
C43 Rh2 P3 C47 -74.14(10) . .
P3 Rh2 P3 C47 105.77(10) 2 .
I3 Rh2 P3 C47 28.87(10) 2 .
I3 Rh2 P3 C47 -177.14(10) . .
C43 Rh2 P3 C53 47.00(10) . .
P3 Rh2 P3 C53 -133.09(10) 2 .
I3 Rh2 P3 C53 150.01(10) 2 .
I3 Rh2 P3 C53 -56.00(10) . .
P3 Rh2 C43 C44 -68.45(14) 2 .
P3 Rh2 C43 C44 111.55(14) . .
I3 Rh2 C43 C44 21.24(14) 2 .
I3 Rh2 C43 C44 -158.76(14) . .
P3 Rh2 C43 C44 111.56(14) 2 2
P3 Rh2 C43 C44 -68.45(14) . 2
I3 Rh2 C43 C44 -158.76(14) 2 2
I3 Rh2 C43 C44 21.25(14) . 2
C44 C43 C44 C45 0.4(2) 2 .
Rh2 C43 C44 C45 -179.6(2) . .
C43 C44 C45 C46 -0.9(4) . .
C44 C45 C46 C45 0.4(2) . 2
C59 P3 C47 C52 -5.6(3) . .
C53 P3 C47 C52 100.9(3) . .
Rh2 P3 C47 C52 -130.8(2) . .
C59 P3 C47 C48 173.4(2) . .
C53 P3 C47 C48 -80.0(2) . .
Rh2 P3 C47 C48 48.2(2) . .
C52 C47 C48 C49 -1.6(4) . .
P3 C47 C48 C49 179.4(2) . .
C47 C48 C49 C50 1.3(4) . .
C48 C49 C50 C51 0.2(5) . .
C49 C50 C51 C52 -1.6(5) . .
C50 C51 C52 C47 1.4(5) . .
C48 C47 C52 C51 0.2(5) . .
P3 C47 C52 C51 179.3(3) . .
C59 P3 C53 C58 140.8(2) . .
C47 P3 C53 C58 32.3(3) . .
Rh2 P3 C53 C58 -95.4(2) . .
C59 P3 C53 C54 -41.0(3) . .
C47 P3 C53 C54 -149.5(2) . .
Rh2 P3 C53 C54 82.8(2) . .
C58 C53 C54 C55 -0.1(4) . .
P3 C53 C54 C55 -178.3(2) . .
C53 C54 C55 C56 -0.5(5) . .
C54 C55 C56 C57 0.5(5) . .
C55 C56 C57 C58 0.0(5) . .
C56 C57 C58 C53 -0.6(5) . .
C54 C53 C58 C57 0.6(5) . .
P3 C53 C58 C57 178.8(2) . .
C47 P3 C59 C64 -109.7(2) . .
C53 P3 C59 C64 143.3(2) . .
Rh2 P3 C59 C64 17.2(3) . .
C47 P3 C59 C60 70.7(3) . .
C53 P3 C59 C60 -36.3(3) . .
Rh2 P3 C59 C60 -162.4(2) . .
C64 C59 C60 C61 -0.5(4) . .
P3 C59 C60 C61 179.1(2) . .
C59 C60 C61 C62 0.4(5) . .
C60 C61 C62 C63 -0.7(5) . .
C61 C62 C63 C64 1.1(5) . .
C60 C59 C64 C63 0.9(4) . .
P3 C59 C64 C63 -178.7(2) . .
C62 C63 C64 C59 -1.2(5) . .
