#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:32:37 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179795 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/91/7009150.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_7009150
loop_
_publ_author_name
'Cobley, Christopher J.'
'Ellis, Dianne D.'
'Orpen, A. Guy'
'Pringle, Paul G.'
_publ_section_title
;
 Rhodium(I) complexes of robust phosphites derived from calix[4]arenes
 and their application in the hydroformylation of 1-hexene
;
_journal_issue                   7
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              1109
_journal_paper_doi               10.1039/a908961f
_journal_year                    2000
_chemical_formula_sum            'C58.75 H78 Cl3 O7 P Rh'
_chemical_formula_weight         1136.44
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                94.378(10)
_cell_angle_beta                 93.617(10)
_cell_angle_gamma                96.183(13)
_cell_formula_units_Z            4
_cell_length_a                   15.276(2)
_cell_length_b                   18.109(3)
_cell_length_c                   21.303(3)
_cell_measurement_temperature    173(2)
_cell_volume                     5826.6(15)
_computing_cell_refinement       'SMART (Siemens, 1995b)'
_computing_data_collection       'SMART (Siemens, 1995b)'
_computing_data_reduction        'SMART (Siemens, 1995b)'
_computing_molecular_graphics    'SHELXTL (Siemens, 1995a)'
_computing_publication_material  'SHELXTL (Siemens, 1995a)'
_computing_structure_refinement  'SHELXTL (Siemens, 1995a)'
_computing_structure_solution    'SHELXTL (Siemens, 1995a)'
_diffrn_ambient_temperature      173(2)
_diffrn_measurement_device_type  'Siemens SMART CCD diffractometer'
_diffrn_measurement_method       'ω rotation with narrow frames'
_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  0.0398
_diffrn_reflns_av_sigmaI/netI    0.0466
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            30957
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.55
_exptl_absorpt_coefficient_mu    0.507
_exptl_absorpt_correction_type   empirical
_exptl_crystal_density_diffrn    1.296
_exptl_crystal_F_000             2390
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.351
_refine_diff_density_min         -0.831
_refine_diff_density_rms         0.095
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.113
_refine_ls_goodness_of_fit_obs   1.121
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1350
_refine_ls_number_reflns         19591
_refine_ls_number_restraints     16
_refine_ls_restrained_S_all      1.186
_refine_ls_restrained_S_obs      1.128
_refine_ls_R_factor_all          0.0869
_refine_ls_R_factor_obs          0.0621
_refine_ls_shift/esd_max         0.006
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0419P)²+22.9358P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1612
_refine_ls_wR_factor_obs         0.1352
_reflns_number_observed          15897
_reflns_number_total             20074
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            a908961f.txt
_cod_data_source_block           1b
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0419P)^2^+22.9358P] where P=(Fo^2^+2Fc^2^)/3'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0419P)^2^+22.9358P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        5826.4(13)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7009150
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Rh1 Rh 0.85357(2) 1.09170(2) -0.15648(2) 0.02324(10) Uani 1 d . .
P1 P 0.91098(8) 1.17082(7) -0.21911(6) 0.0222(3) Uani 1 d . .
C1 C 0.9044(3) 1.1461(3) -0.0858(2) 0.0308(11) Uani 1 d . .
O1 O 0.9333(3) 1.1743(2) -0.0376(2) 0.0534(12) Uani 1 d . .
O101 O 1.1478(2) 1.1636(2) -0.2791(2) 0.0384(9) Uani 1 d . .
H101 H 1.1263(33) 1.2033(10) -0.2693(22) 0.058 Uiso 1 calc R .
O102 O 1.0032(2) 1.2254(2) -0.20386(15) 0.0260(7) Uani 1 d . .
O103 O 0.8422(2) 1.2305(2) -0.23147(15) 0.0235(7) Uani 1 d . .
O104 O 0.9225(2) 1.1324(2) -0.28742(15) 0.0254(7) Uani 1 d . .
C101 C 1.1132(3) 1.1074(3) -0.2425(3) 0.0316(11) Uani 1 d . .
C102 C 1.1262(3) 1.1154(3) -0.1777(3) 0.0338(12) Uani 1 d . .
C103 C 1.0956(3) 1.0554(3) -0.1441(3) 0.0371(13) Uani 1 d . .
H10B H 1.1049(3) 1.0602(3) -0.0994(3) 0.044 Uiso 1 calc R .
C104 C 1.0524(3) 0.9894(3) -0.1736(3) 0.0395(13) Uani 1 d . .
C105 C 1.0365(3) 0.9867(3) -0.2390(3) 0.0358(12) Uani 1 d . .
H10C H 1.0043(3) 0.9433(3) -0.2604(3) 0.043 Uiso 1 calc R .
C106 C 1.0660(3) 1.0449(3) -0.2743(3) 0.0315(11) Uani 1 d . .
C107 C 1.0236(4) 0.9227(4) -0.1362(3) 0.051(2) Uani 1 d . .
C108 C 0.9472(6) 0.8752(6) -0.1672(5) 0.129(5) Uani 1 d . .
H10D H 0.8993(6) 0.9057(6) -0.1760(5) 0.194 Uiso 1 calc R .
H10E H 0.9276(6) 0.8368(6) -0.1396(5) 0.194 Uiso 1 calc R .
H10F H 0.9637(6) 0.8514(6) -0.2070(5) 0.194 Uiso 1 calc R .
C109 C 0.9930(6) 0.9512(5) -0.0708(5) 0.098(3) Uani 1 d . .
H10G H 1.0416(6) 0.9836(5) -0.0473(5) 0.147 Uiso 1 calc R .
H10H H 0.9761(6) 0.9085(5) -0.0468(5) 0.147 Uiso 1 calc R .
H10I H 0.9423(6) 0.9792(5) -0.0775(5) 0.147 Uiso 1 calc R .
C110 C 1.1027(5) 0.8825(4) -0.1200(4) 0.079(3) Uani 1 d . .
H11A H 1.1506(5) 0.9183(4) -0.0995(4) 0.118 Uiso 1 calc R .
H11B H 1.1225(5) 0.8588(4) -0.1587(4) 0.118 Uiso 1 calc R .
H11C H 1.0864(5) 0.8443(4) -0.0914(4) 0.118 Uiso 1 calc R .
C111 C 1.1698(3) 1.1883(3) -0.1438(3) 0.0397(13) Uani 1 d . .
H11D H 1.2045(3) 1.2153(3) -0.1743(3) 0.048 Uiso 1 calc R .
H11E H 1.2122(3) 1.1761(3) -0.1101(3) 0.048 Uiso 1 calc R .
C112 C 1.0322(3) 1.2615(3) -0.1430(2) 0.0284(11) Uani 1 d . .
C113 C 0.9876(3) 1.3177(3) -0.1145(2) 0.0301(11) Uani 1 d . .
C114 C 1.0213(4) 1.3500(3) -0.0557(3) 0.0382(13) Uani 1 d . .
H11E H 0.9919(4) 1.3884(3) -0.0363(3) 0.046 Uiso 1 calc R .
C115 C 1.0960(4) 1.3294(3) -0.0234(3) 0.051(2) Uani 1 d . .
C116 C 1.1387(4) 1.2757(3) -0.0543(3) 0.0453(15) Uani 1 d . .
H11F H 1.1903(4) 1.2611(3) -0.0336(3) 0.054 Uiso 1 calc R .
C117 C 1.1105(3) 1.2414(3) -0.1141(3) 0.0337(12) Uani 1 d . .
C118 C 1.1265(6) 1.3645(4) 0.0432(4) 0.080(3) Uani 1 d . .
C119 C 1.0412(12) 1.3357(9) 0.0889(6) 0.130(7) Uani 0.77(2) d PD .
H11G H 0.9869(12) 1.3548(9) 0.0734(6) 0.195 Uiso 0.77(2) calc PR .
H11H H 1.0563(12) 1.3550(9) 0.1329(6) 0.195 Uiso 0.77(2) calc PR .
H11I H 1.0322(12) 1.2811(9) 0.0862(6) 0.195 Uiso 0.77(2) calc PR .
C120 C 1.1970(11) 1.3310(9) 0.0738(6) 0.133(8) Uani 0.77(2) d PD .
H12A H 1.1896(11) 1.2772(9) 0.0620(6) 0.200 Uiso 0.77(2) calc PR .
H12B H 1.1959(11) 1.3401(9) 0.1197(6) 0.200 Uiso 0.77(2) calc PR .
H12C H 1.2537(11) 1.3529(9) 0.0605(6) 0.200 Uiso 0.77(2) calc PR .
C121 C 1.1212(9) 1.4446(5) 0.0525(5) 0.079(4) Uani 0.77(2) d PD .
H12D H 1.0690(9) 1.4571(5) 0.0280(5) 0.119 Uiso 0.77(2) calc PR .
H12E H 1.1743(9) 1.4717(5) 0.0382(5) 0.119 Uiso 0.77(2) calc PR .
H12F H 1.1165(9) 1.4588(5) 0.0974(5) 0.119 Uiso 0.77(2) calc PR .
C501 C 1.1212(15) 1.3124(17) 0.0863(15) 0.055(9) Uiso 0.23(2) d PD 2
H50A H 1.0592(15) 1.2995(17) 0.0946(15) 0.083 Uiso 0.23(2) calc PR 2
H50B H 1.1549(15) 1.3326(17) 0.1257(15) 0.083 Uiso 0.23(2) calc PR 2
H50C H 1.1456(15) 1.2676(17) 0.0696(15) 0.083 Uiso 0.23(2) calc PR 2
C502 C 1.2004(26) 1.4211(34) 0.0359(28) 0.148(25) Uiso 0.23(2) d PD 2
H50D H 1.1852(26) 1.4507(34) 0.0009(28) 0.222 Uiso 0.23(2) calc PR 2
H50E H 1.2530(26) 1.3967(34) 0.0268(28) 0.222 Uiso 0.23(2) calc PR 2
H50F H 1.2125(26) 1.4539(34) 0.0749(28) 0.222 Uiso 0.23(2) calc PR 2
C503 C 1.0561(35) 1.4044(23) 0.0719(36) 0.196(35) Uiso 0.23(2) d PD 2
H50G H 1.0460(35) 1.4475(23) 0.0483(36) 0.294 Uiso 0.23(2) calc PR 2
H50H H 1.0747(35) 1.4214(23) 0.1159(36) 0.294 Uiso 0.23(2) calc PR 2
H50I H 1.0013(35) 1.3705(23) 0.0702(36) 0.294 Uiso 0.23(2) calc PR 2
C122 C 0.9029(3) 1.3450(3) -0.1408(2) 0.0301(11) Uani 1 d . .
H12G H 0.8529(3) 1.3079(3) -0.1332(2) 0.036 Uiso 1 calc R .
H12H H 0.8949(3) 1.3920(3) -0.1159(2) 0.036 Uiso 1 calc R .
C123 C 0.8668(3) 1.3003(3) -0.2538(2) 0.0230(10) Uani 1 d . .
C124 C 0.8554(3) 1.3074(3) -0.3181(2) 0.0242(10) Uani 1 d . .
C125 C 0.8707(3) 1.3792(3) -0.3376(2) 0.0303(11) Uani 1 d . .
H12H H 0.8624(3) 1.3861(3) -0.3813(2) 0.036 Uiso 1 calc R .
C126 C 0.8977(3) 1.4408(3) -0.2956(3) 0.0326(12) Uani 1 d . .
C127 C 0.9122(3) 1.4295(3) -0.2314(2) 0.0315(11) Uani 1 d . .
H12I H 0.9336(3) 1.4707(3) -0.2021(2) 0.038 Uiso 1 calc R .
C128 C 0.8957(3) 1.3591(3) -0.2099(2) 0.0252(10) Uani 1 d . .
C129 C 0.9112(4) 1.5216(3) -0.3165(3) 0.0429(14) Uani 1 d . .
C130 C 1.0052(5) 1.5568(4) -0.2961(4) 0.066(2) Uani 1 d . .
H13A H 1.0159(5) 1.5559(4) -0.2504(4) 0.099 Uiso 1 calc R .
H13B H 1.0124(5) 1.6085(4) -0.3073(4) 0.099 Uiso 1 calc R .
H13C H 1.0474(5) 1.5286(4) -0.3177(4) 0.099 Uiso 1 calc R .
C131 C 0.8940(6) 1.5228(4) -0.3879(3) 0.066(2) Uani 1 d . .
H13D H 0.8337(6) 1.5002(4) -0.4008(3) 0.100 Uiso 1 calc R .
H13E H 0.9362(6) 1.4946(4) -0.4095(3) 0.100 Uiso 1 calc R .
H13F H 0.9012(6) 1.5745(4) -0.3992(3) 0.100 Uiso 1 calc R .
C132 C 0.8445(5) 1.5670(3) -0.2834(3) 0.059(2) Uani 1 d . .
H13G H 0.7842(5) 1.5444(3) -0.2965(3) 0.088 Uiso 1 calc R .
H13H H 0.8520(5) 1.6184(3) -0.2953(3) 0.088 Uiso 1 calc R .
H13I H 0.8549(5) 1.5669(3) -0.2376(3) 0.088 Uiso 1 calc R .
C133 C 0.8277(3) 1.2385(3) -0.3625(2) 0.0263(10) Uani 1 d . .
H13J H 0.7947(3) 1.2528(3) -0.4003(2) 0.032 Uiso 1 calc R .
H13K H 0.7873(3) 1.2035(3) -0.3413(2) 0.032 Uiso 1 calc R .
C134 C 0.9477(3) 1.1494(3) -0.3476(2) 0.0263(10) Uani 1 d . .
C135 C 1.0099(3) 1.1068(3) -0.3738(2) 0.0289(11) Uani 1 d . .
C136 C 1.0358(3) 1.1212(3) -0.4336(2) 0.0345(12) Uani 1 d . .
H13L H 1.0802(3) 1.0944(3) -0.4507(2) 0.041 Uiso 1 calc R .
C137 C 0.9996(3) 1.1731(3) -0.4695(3) 0.0354(12) Uani 1 d . .
C138 C 0.9329(3) 1.2099(3) -0.4435(2) 0.0314(11) Uani 1 d . .
H13M H 0.9052(3) 1.2439(3) -0.4677(2) 0.038 Uiso 1 calc R .
C139 C 0.9051(3) 1.1990(3) -0.3831(2) 0.0246(10) Uani 1 d . .
C140 C 1.0268(4) 1.1881(4) -0.5362(3) 0.051(2) Uani 1 d . .
C141 C 1.0571(6) 1.2704(4) -0.5395(4) 0.085(3) Uani 1 d . .
H14A H 1.0098(6) 1.2999(4) -0.5274(4) 0.127 Uiso 1 calc R .
H14B H 1.0716(6) 1.2793(4) -0.5826(4) 0.127 Uiso 1 calc R .
H14C H 1.1096(6) 1.2850(4) -0.5105(4) 0.127 Uiso 1 calc R .
C142 C 1.1010(5) 1.1432(5) -0.5550(4) 0.079(3) Uani 1 d . .
H14D H 1.0822(5) 1.0900(5) -0.5531(4) 0.119 Uiso 1 calc R .
H14E H 1.1533(5) 1.1581(5) -0.5260(4) 0.119 Uiso 1 calc R .
H14F H 1.1153(5) 1.1525(5) -0.5982(4) 0.119 Uiso 1 calc R .
C143 C 0.9461(5) 1.1647(5) -0.5842(3) 0.068(2) Uani 1 d . .
H14G H 0.9263(5) 1.1117(5) -0.5822(3) 0.102 Uiso 1 calc R .
H14H H 0.9629(5) 1.1734(5) -0.6269(3) 0.102 Uiso 1 calc R .
H14I H 0.8981(5) 1.1942(5) -0.5737(3) 0.102 Uiso 1 calc R .
C144 C 1.0445(4) 1.0406(3) -0.3444(3) 0.0374(13) Uani 1 d . .
H14J H 1.0002(4) 0.9967(3) -0.3557(3) 0.045 Uiso 1 calc R .
H14K H 1.0987(4) 1.0303(3) -0.3651(3) 0.045 Uiso 1 calc R .
O105 O 0.8010(2) 1.0243(2) -0.23339(15) 0.0273(7) Uani 1 d . .
O106 O 0.7826(2) 1.0227(2) -0.10052(15) 0.0294(8) Uani 1 d . .
C145 C 0.7457(3) 0.9653(3) -0.2349(2) 0.0273(10) Uani 1 d . .
C146 C 0.7092(3) 0.9368(3) -0.1818(2) 0.0302(11) Uani 1 d . .
H14K H 0.6667(3) 0.8942(3) -0.1893(2) 0.036 Uiso 1 calc R .
C147 C 0.7292(3) 0.9647(3) -0.1188(2) 0.0247(10) Uani 1 d . .
C148 C 0.7212(3) 0.9251(3) -0.3004(2) 0.0313(11) Uani 1 d . .
C149 C 0.6212(4) 0.9138(4) -0.3143(3) 0.062(2) Uani 1 d . .
H14L H 0.6069(4) 0.8880(4) -0.3564(3) 0.093 Uiso 1 calc R .
H14M H 0.5983(4) 0.9624(4) -0.3127(3) 0.093 Uiso 1 calc R .
H14N H 0.5942(4) 0.8839(4) -0.2828(3) 0.093 Uiso 1 calc R .
C150 C 0.7576(4) 0.8493(3) -0.3023(3) 0.0464(15) Uani 1 d . .
H15A H 0.8218(4) 0.8570(3) -0.2933(3) 0.070 Uiso 1 calc R .
H15B H 0.7435(4) 0.8231(3) -0.3442(3) 0.070 Uiso 1 calc R .
H15C H 0.7308(4) 0.8195(3) -0.2705(3) 0.070 Uiso 1 calc R .
C151 C 0.7640(5) 0.9708(4) -0.3507(3) 0.050(2) Uani 1 d . .
H15D H 0.8282(5) 0.9779(4) -0.3416(3) 0.075 Uiso 1 calc R .
H15E H 0.7414(5) 1.0194(4) -0.3499(3) 0.075 Uiso 1 calc R .
H15F H 0.7497(5) 0.9441(4) -0.3924(3) 0.075 Uiso 1 calc R .
C152 C 0.6853(3) 0.9260(3) -0.0647(2) 0.0318(11) Uani 1 d . .
C153 C 0.6429(6) 0.8479(4) -0.0840(3) 0.079(3) Uani 1 d . .
H15G H 0.5994(6) 0.8487(4) -0.1197(3) 0.119 Uiso 1 calc R .
H15H H 0.6135(6) 0.8277(4) -0.0485(3) 0.119 Uiso 1 calc R .
H15I H 0.6883(6) 0.8165(4) -0.0965(3) 0.119 Uiso 1 calc R .
C154 C 0.6141(5) 0.9738(4) -0.0438(4) 0.074(2) Uani 1 d . .
H15J H 0.6410(5) 1.0248(4) -0.0311(4) 0.111 Uiso 1 calc R .
H15K H 0.5861(5) 0.9528(4) -0.0080(4) 0.111 Uiso 1 calc R .
H15L H 0.5695(5) 0.9745(4) -0.0788(4) 0.111 Uiso 1 calc R .
C155 C 0.7526(5) 0.9262(5) -0.0097(3) 0.080(3) Uani 1 d . .
H15M H 0.7796(5) 0.9773(5) 0.0024(3) 0.121 Uiso 1 calc R .
H15N H 0.7985(5) 0.8951(5) -0.0218(3) 0.121 Uiso 1 calc R .
H15O H 0.7236(5) 0.9063(5) 0.0262(3) 0.121 Uiso 1 calc R .
Rh2 Rh 0.61627(3) 1.32107(2) 0.59370(2) 0.02515(10) Uani 1 d . .
C2 C 0.6209(4) 1.4176(3) 0.6247(2) 0.0344(12) Uani 1 d . .
O2 O 0.6276(3) 1.4809(2) 0.6392(2) 0.0526(11) Uani 1 d . .
P2 P 0.57076(8) 1.27778(7) 0.68042(6) 0.0231(3) Uani 1 d . .
O201 O 0.3192(2) 1.2433(2) 0.7162(2) 0.0331(8) Uani 1 d . .
H201 H 0.2802(29) 1.2066(21) 0.7121(2) 0.050 Uiso 1 calc R .
O202 O 0.5180(2) 1.1965(2) 0.66778(15) 0.0253(7) Uani 1 d . .
O203 O 0.6568(2) 1.2664(2) 0.72515(15) 0.0252(7) Uani 1 d . .
O204 O 0.5129(2) 1.3195(2) 0.73008(15) 0.0240(7) Uani 1 d . .
C201 C 0.3396(3) 1.2642(3) 0.6571(2) 0.0289(11) Uani 1 d . .
C202 C 0.3496(3) 1.2118(3) 0.6079(2) 0.0282(11) Uani 1 d . .
C203 C 0.3674(3) 1.2362(3) 0.5485(2) 0.0319(11) Uani 1 d . .
H20B H 0.3719(3) 1.2001(3) 0.5144(2) 0.038 Uiso 1 calc R .
C204 C 0.3787(3) 1.3112(3) 0.5380(2) 0.0313(12) Uani 1 d . .
C205 C 0.3754(3) 1.3622(3) 0.5903(2) 0.0293(11) Uani 1 d . .
H20C H 0.3863(3) 1.4139(3) 0.5850(2) 0.035 Uiso 1 calc R .
C206 C 0.3570(3) 1.3403(3) 0.6494(2) 0.0275(11) Uani 1 d . .
C207 C 0.3931(4) 1.3368(3) 0.4719(2) 0.0362(12) Uani 1 d . .
C208 C 0.3021(4) 1.3441(4) 0.4386(3) 0.059(2) Uani 1 d . .
H20D H 0.2650(4) 1.2962(4) 0.4366(3) 0.089 Uiso 1 calc R .
H20E H 0.3098(4) 1.3585(4) 0.3957(3) 0.089 Uiso 1 calc R .
H20F H 0.2736(4) 1.3822(4) 0.4623(3) 0.089 Uiso 1 calc R .
C209 C 0.4400(5) 1.2809(3) 0.4324(3) 0.056(2) Uani 1 d . .
H20G H 0.4055(5) 1.2317(3) 0.4294(3) 0.084 Uiso 1 calc R .
H20H H 0.4988(5) 1.2777(3) 0.4525(3) 0.084 Uiso 1 calc R .
H20I H 0.4458(5) 1.2974(3) 0.3899(3) 0.084 Uiso 1 calc R .
C210 C 0.4502(4) 1.4118(3) 0.4746(3) 0.049(2) Uani 1 d . .
H21A H 0.4225(4) 1.4494(3) 0.4995(3) 0.073 Uiso 1 calc R .
H21B H 0.4558(4) 1.4269(3) 0.4317(3) 0.073 Uiso 1 calc R .
H21C H 0.5088(4) 1.4072(3) 0.4943(3) 0.073 Uiso 1 calc R .
C211 C 0.3444(4) 1.1297(3) 0.6178(3) 0.0354(12) Uani 1 d . .
H21D H 0.3664(4) 1.1039(3) 0.5803(3) 0.043 Uiso 1 calc R .
H21E H 0.2814(4) 1.1107(3) 0.6191(3) 0.043 Uiso 1 calc R .
C212 C 0.4792(3) 1.1371(3) 0.6994(2) 0.0263(10) Uani 1 d . .
C213 C 0.5265(3) 1.1035(3) 0.7465(2) 0.0257(10) Uani 1 d . .
C214 C 0.4827(3) 1.0426(3) 0.7723(2) 0.0313(11) Uani 1 d . .
H21E H 0.5134(3) 1.0202(3) 0.8047(2) 0.038 Uiso 1 calc R .
C215 C 0.3963(3) 1.0126(3) 0.7531(2) 0.0311(11) Uani 1 d . .
C216 C 0.3541(3) 1.0454(3) 0.7046(2) 0.0317(11) Uani 1 d . .
H21F H 0.2956(3) 1.0255(3) 0.6899(2) 0.038 Uiso 1 calc R .
C217 C 0.3943(3) 1.1069(3) 0.6763(2) 0.0272(10) Uani 1 d . .
C218 C 0.3521(4) 0.9452(3) 0.7841(3) 0.0387(13) Uani 1 d . .
C219 C 0.3394(4) 0.9684(4) 0.8521(3) 0.056(2) Uani 1 d . .
H21G H 0.3965(4) 0.9879(4) 0.8739(3) 0.083 Uiso 1 calc R .
H21H H 0.3140(4) 0.9252(4) 0.8726(3) 0.083 Uiso 1 calc R .
H21I H 0.2993(4) 1.0072(4) 0.8540(3) 0.083 Uiso 1 calc R .
C220 C 0.4121(4) 0.8814(3) 0.7811(4) 0.055(2) Uani 1 d . .
H22A H 0.4204(4) 0.8663(3) 0.7369(4) 0.083 Uiso 1 calc R .
H22B H 0.3844(4) 0.8388(3) 0.8011(4) 0.083 Uiso 1 calc R .
H22C H 0.4696(4) 0.8989(3) 0.8034(4) 0.083 Uiso 1 calc R .
C221 C 0.2638(4) 0.9147(3) 0.7494(3) 0.052(2) Uani 1 d . .
H22D H 0.2727(4) 0.8998(3) 0.7053(3) 0.078 Uiso 1 calc R .
H22E H 0.2236(4) 0.9534(3) 0.7511(3) 0.078 Uiso 1 calc R .
H22F H 0.2382(4) 0.8714(3) 0.7696(3) 0.078 Uiso 1 calc R .
C222 C 0.6234(3) 1.1252(3) 0.7682(2) 0.0287(11) Uani 1 d . .
H22G H 0.6460(3) 1.0829(3) 0.7884(2) 0.034 Uiso 1 calc R .
H22H H 0.6569(3) 1.1336(3) 0.7306(2) 0.034 Uiso 1 calc R .
C223 C 0.6533(3) 1.2630(3) 0.7904(2) 0.0254(10) Uani 1 d . .
C224 C 0.6676(3) 1.3295(3) 0.8279(2) 0.0289(11) Uani 1 d . .
C225 C 0.6712(3) 1.3252(3) 0.8932(2) 0.0344(12) Uani 1 d . .
H22I H 0.6790(3) 1.3702(3) 0.9200(2) 0.041 Uiso 1 calc R .
C226 C 0.6637(4) 1.2571(3) 0.9204(2) 0.0370(13) Uani 1 d . .
C227 C 0.6481(3) 1.1921(3) 0.8795(2) 0.0342(12) Uani 1 d . .
H22J H 0.6419(3) 1.1452(3) 0.8968(2) 0.041 Uiso 1 calc R .
C228 C 0.6416(3) 1.1942(3) 0.8141(2) 0.0276(11) Uani 1 d . .
C229 C 0.6725(5) 1.2544(4) 0.9924(3) 0.058(2) Uani 1 d . .
C230 C 0.6078(13) 1.2979(12) 1.0219(7) 0.085(6) Uani 0.559(12) d P 1
H23A H 0.6098(13) 1.3467(12) 1.0046(7) 0.127 Uiso 0.559(12) calc PR 1
H23B H 0.6219(13) 1.3049(12) 1.0676(7) 0.127 Uiso 0.559(12) calc PR 1
H23C H 0.5484(13) 1.2712(12) 1.0131(7) 0.127 Uiso 0.559(12) calc PR 1
C231 C 0.6772(12) 1.1803(8) 1.0133(6) 0.070(5) Uani 0.559(12) d P 1
H23D H 0.7220(12) 1.1561(8) 0.9909(6) 0.105 Uiso 0.559(12) calc PR 1
H23E H 0.6196(12) 1.1505(8) 1.0043(6) 0.105 Uiso 0.559(12) calc PR 1
H23F H 0.6931(12) 1.1842(8) 1.0588(6) 0.105 Uiso 0.559(12) calc PR 1
C232 C 0.7716(9) 1.3018(8) 1.0145(5) 0.064(4) Uani 0.559(12) d P 1
H23G H 0.7728(9) 1.3527(8) 1.0017(5) 0.096 Uiso 0.559(12) calc PR 1
H23H H 0.8177(9) 1.2770(8) 0.9943(5) 0.096 Uiso 0.559(12) calc PR 1
H23I H 0.7822(9) 1.3035(8) 1.0605(5) 0.096 Uiso 0.559(12) calc PR 1
C504 C 0.5794(11) 1.2025(10) 1.0112(7) 0.061(5) Uani 0.441(12) d P 2
H50J H 0.5744(11) 1.1531(10) 0.9881(7) 0.092 Uiso 0.441(12) calc PR 2
H50K H 0.5276(11) 1.2274(10) 0.9996(7) 0.092 Uiso 0.441(12) calc PR 2
H50L H 0.5827(11) 1.1970(10) 1.0567(7) 0.092 Uiso 0.441(12) calc PR 2
C505 C 0.7450(12) 1.2090(11) 1.0108(6) 0.056(5) Uani 0.441(12) d P 2
H50M H 0.7407(12) 1.1635(11) 0.9823(6) 0.084 Uiso 0.441(12) calc PR 2
H50N H 0.7394(12) 1.1958(11) 1.0543(6) 0.084 Uiso 0.441(12) calc PR 2
H50O H 0.8023(12) 1.2382(11) 1.0080(6) 0.084 Uiso 0.441(12) calc PR 2
C506 C 0.6693(16) 1.3248(13) 1.0305(8) 0.072(6) Uani 0.441(12) d P 2
H50P H 0.6196(16) 1.3496(13) 1.0143(8) 0.109 Uiso 0.441(12) calc PR 2
H50Q H 0.7245(16) 1.3572(13) 1.0282(8) 0.109 Uiso 0.441(12) calc PR 2
H50R H 0.6616(16) 1.3148(13) 1.0745(8) 0.109 Uiso 0.441(12) calc PR 2
C233 C 0.6810(3) 1.4021(3) 0.7974(3) 0.0310(11) Uani 1 d . .
H23J H 0.7137(3) 1.3938(3) 0.7593(3) 0.037 Uiso 1 calc R .
H23K H 0.7187(3) 1.4388(3) 0.8271(3) 0.037 Uiso 1 calc R .
C234 C 0.5207(3) 1.3980(3) 0.7461(2) 0.0250(10) Uani 1 d . .
C235 C 0.4474(3) 1.4349(3) 0.7316(2) 0.0268(10) Uani 1 d . .
C236 C 0.4543(3) 1.5120(3) 0.7461(2) 0.0322(11) Uani 1 d . .
H23L H 0.4050(3) 1.5374(3) 0.7353(2) 0.039 Uiso 1 calc R .
C237 C 0.5297(4) 1.5532(3) 0.7755(2) 0.0332(12) Uani 1 d . .
C238 C 0.5993(3) 1.5130(3) 0.7926(2) 0.0292(11) Uani 1 d . .
H23M H 0.6506(3) 1.5390(3) 0.8149(2) 0.035 Uiso 1 calc R .
C239 C 0.5971(3) 1.4363(3) 0.7783(2) 0.0270(10) Uani 1 d . .
C240 C 0.5373(4) 1.6375(3) 0.7931(3) 0.0428(14) Uani 1 d . .
C241 C 0.5409(6) 1.6513(4) 0.8651(4) 0.073(2) Uani 1 d . .
H24A H 0.5910(6) 1.6292(4) 0.8839(4) 0.110 Uiso 1 calc R .
H24B H 0.4860(6) 1.6285(4) 0.8805(4) 0.110 Uiso 1 calc R .
H24C H 0.5478(6) 1.7051(4) 0.8771(4) 0.110 Uiso 1 calc R .
C242 C 0.4592(6) 1.6720(4) 0.7638(6) 0.114(4) Uani 1 d . .
H24D H 0.4570(6) 1.6632(4) 0.7177(6) 0.171 Uiso 1 calc R .
H24E H 0.4662(6) 1.7258(4) 0.7757(6) 0.171 Uiso 1 calc R .
H24F H 0.4043(6) 1.6492(4) 0.7792(6) 0.171 Uiso 1 calc R .
C243 C 0.6233(5) 1.6749(4) 0.7699(4) 0.069(2) Uani 1 d . .
H24G H 0.6737(5) 1.6529(4) 0.7885(4) 0.103 Uiso 1 calc R .
H24H H 0.6293(5) 1.7284(4) 0.7826(4) 0.103 Uiso 1 calc R .
H24I H 0.6216(5) 1.6670(4) 0.7238(4) 0.103 Uiso 1 calc R .
C244 C 0.3573(3) 1.3966(3) 0.7060(3) 0.0323(12) Uani 1 d . .
H24J H 0.3297(3) 1.3709(3) 0.7404(3) 0.039 Uiso 1 calc R .
H24K H 0.3198(3) 1.4353(3) 0.6943(3) 0.039 Uiso 1 calc R .
O205 O 0.6741(2) 1.3575(2) 0.5152(2) 0.0350(8) Uani 1 d . .
O206 O 0.6156(2) 1.2142(2) 0.5553(2) 0.0301(8) Uani 1 d . .
C245 C 0.6987(3) 1.3175(3) 0.4697(2) 0.0330(12) Uani 1 d . .
C246 C 0.6901(4) 1.2395(3) 0.4634(2) 0.0349(12) Uani 1 d . .
H24L H 0.7144(4) 1.2163(3) 0.4280(2) 0.042 Uiso 1 calc R .
C247 C 0.6485(3) 1.1926(3) 0.5049(2) 0.0310(11) Uani 1 d . .
C248 C 0.7455(4) 1.3629(3) 0.4199(3) 0.0398(13) Uani 1 d . .
C249 C 0.6885(5) 1.4250(4) 0.4035(3) 0.055(2) Uani 1 d . .
H24M H 0.6312(5) 1.4025(4) 0.3838(3) 0.082 Uiso 1 calc R .
H24N H 0.7185(5) 1.4564(4) 0.3741(3) 0.082 Uiso 1 calc R .
H24O H 0.6797(5) 1.4554(4) 0.4421(3) 0.082 Uiso 1 calc R .
C250 C 0.8347(4) 1.3977(4) 0.4505(4) 0.064(2) Uani 1 d . .
H25A H 0.8260(4) 1.4274(4) 0.4896(4) 0.096 Uiso 1 calc R .
H25B H 0.8642(4) 1.4299(4) 0.4215(4) 0.096 Uiso 1 calc R .
H25C H 0.8713(4) 1.3582(4) 0.4602(4) 0.096 Uiso 1 calc R .
C251 C 0.7588(6) 1.3166(4) 0.3589(3) 0.068(2) Uani 1 d . .
H25D H 0.7014(6) 1.2943(4) 0.3393(3) 0.102 Uiso 1 calc R .
H25E H 0.7954(6) 1.2770(4) 0.3685(3) 0.102 Uiso 1 calc R .
H25F H 0.7883(6) 1.3487(4) 0.3298(3) 0.102 Uiso 1 calc R .
C252 C 0.6400(4) 1.1072(3) 0.4891(3) 0.0367(12) Uani 1 d . .
C253 C 0.7308(5) 1.0808(4) 0.4807(4) 0.069(2) Uani 1 d . .
H25G H 0.7582(5) 1.1055(4) 0.4464(4) 0.104 Uiso 1 calc R .
H25H H 0.7240(5) 1.0267(4) 0.4705(4) 0.104 Uiso 1 calc R .
H25I H 0.7683(5) 1.0933(4) 0.5200(4) 0.104 Uiso 1 calc R .
C254 C 0.5798(5) 1.0873(4) 0.4286(3) 0.059(2) Uani 1 d . .
H25J H 0.6061(5) 1.1120(4) 0.3938(3) 0.089 Uiso 1 calc R .
H25K H 0.5219(5) 1.1041(4) 0.4348(3) 0.089 Uiso 1 calc R .
H25L H 0.5730(5) 1.0332(4) 0.4186(3) 0.089 Uiso 1 calc R .
C255 C 0.5980(5) 1.0683(3) 0.5427(3) 0.054(2) Uani 1 d . .
H25M H 0.6360(5) 1.0806(3) 0.5817(3) 0.082 Uiso 1 calc R .
H25N H 0.5912(5) 1.0143(3) 0.5322(3) 0.082 Uiso 1 calc R .
H25O H 0.5400(5) 1.0852(3) 0.5485(3) 0.082 Uiso 1 calc R .
C301 C 0.8790(5) 1.6700(5) -0.6340(5) 0.085(3) Uani 1 d . .
H30A H 0.9322(5) 1.7033(5) -0.6168(5) 0.102 Uiso 1 calc R .
H30B H 0.8268(5) 1.6962(5) -0.6253(5) 0.102 Uiso 1 calc R .
Cl1 Cl 0.8732(2) 1.59141(14) -0.5959(2) 0.1175(10) Uani 1 d . .
Cl2 Cl 0.8832(2) 1.65407(13) -0.71585(15) 0.0994(8) Uani 1 d . .
C302 C 0.5708(5) 0.7467(5) 0.1428(3) 0.064(2) Uani 0.52(3) d P 1
H30C H 0.5912(5) 0.7632(5) 0.1872(3) 0.077 Uiso 0.52(3) calc PR 1
H30D H 0.5068(5) 0.7297(5) 0.1416(3) 0.077 Uiso 0.52(3) calc PR 1
Cl3 Cl 0.6233(5) 0.6756(4) 0.1190(4) 0.079(3) Uani 0.52(3) d P 1
Cl4 Cl 0.5862(8) 0.8232(8) 0.0972(6) 0.091(3) Uani 0.52(3) d P 1
C510 C 0.5708(5) 0.7467(5) 0.1428(3) 0.064(2) Uani 0.48(3) d P 2
H51A H 0.5057(10) 0.7390(7) 0.1433(17) 0.077 Uiso 0.48(3) calc PR 2
H51B H 0.5964(10) 0.7421(7) 0.1860(17) 0.077 Uiso 0.48(3) calc PR 2
Cl3' Cl 0.6075(10) 0.6750(7) 0.0881(17) 0.176(7) Uani 0.48(3) d P 2
Cl4' Cl 0.6016(9) 0.8326(7) 0.1216(12) 0.098(5) Uani 0.48(3) d P 2
C303 C 0.7263(8) 1.5011(7) -0.8523(8) 0.199(7) Uani 0.851(8) d PD 1
H30E H 0.6851(8) 1.4859(7) -0.8900(8) 0.239 Uiso 0.851(8) calc PR 1
H30F H 0.7021(8) 1.5359(7) -0.8216(8) 0.239 Uiso 0.851(8) calc PR 1
Cl5 Cl 0.7851(12) 1.4184(13) -0.8152(8) 0.677(19) Uani 0.851(8) d PD 1
Cl6 Cl 0.8322(12) 1.5239(12) -0.8670(9) 0.619(17) Uani 0.851(8) d PD 1
C511 C 0.8210(15) 1.5397(14) -0.8842(14) 0.017(7) Uiso 0.149(8) d PD 2
H51C H 0.8489(15) 1.5838(14) -0.8569(14) 0.021 Uiso 0.149(8) calc PR 2
H51D H 0.8064(15) 1.5555(14) -0.9267(14) 0.021 Uiso 0.149(8) calc PR 2
Cl5' Cl 0.7263(8) 1.5011(7) -0.8523(8) 0.199(7) Uani 0.149(8) d PD 2
Cl6' Cl 0.8935(7) 1.4693(7) -0.8886(5) 0.053(5) Uani 0.149(8) d PD 2
C304 C 0.5352(10) 1.4969(9) 0.9648(11) 0.187(10) Uani 1 d D .
C305 C 0.6251(6) 1.5149(4) 0.9786(4) 0.078(2) Uani 1 d D .
C306 C 0.5427(21) 1.5069(29) 1.0088(19) 0.176(20) Uiso 0.50 d PD .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Cl Cl 0.1484 0.1585 '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
C1 Rh1 O105 175.8(2) . . ?
C1 Rh1 O106 89.4(2) . . ?
O105 Rh1 O106 88.70(13) . . ?
C1 Rh1 P1 93.05(15) . . ?
O105 Rh1 P1 89.36(10) . . ?
O106 Rh1 P1 171.88(10) . . ?
O104 P1 O103 104.5(2) . . ?
O104 P1 O102 102.7(2) . . ?
O103 P1 O102 101.2(2) . . ?
O104 P1 Rh1 112.31(13) . . ?
O103 P1 Rh1 108.28(12) . . ?
O102 P1 Rh1 125.58(13) . . ?
O1 C1 Rh1 172.7(4) . . ?
C112 O102 P1 124.1(3) . . ?
C123 O103 P1 123.0(3) . . ?
C134 O104 P1 141.6(3) . . ?
C102 C101 C106 122.0(5) . . ?
C102 C101 O101 120.7(5) . . ?
C106 C101 O101 117.2(5) . . ?
C101 C102 C103 118.0(5) . . ?
C101 C102 C111 120.7(5) . . ?
C103 C102 C111 121.3(5) . . ?
C104 C103 C102 122.6(5) . . ?
C103 C104 C105 116.5(5) . . ?
C103 C104 C107 121.8(5) . . ?
C105 C104 C107 121.7(5) . . ?
C106 C105 C104 122.8(5) . . ?
C101 C106 C105 117.9(5) . . ?
C101 C106 C144 121.2(5) . . ?
C105 C106 C144 120.9(5) . . ?
C108 C107 C110 114.9(7) . . ?
C108 C107 C104 112.6(5) . . ?
C110 C107 C104 109.4(5) . . ?
C108 C107 C109 105.2(7) . . ?
C110 C107 C109 104.6(6) . . ?
C104 C107 C109 109.7(6) . . ?
C102 C111 C117 117.8(4) . . ?
C113 C112 C117 121.1(5) . . ?
C113 C112 O102 121.8(4) . . ?
C117 C112 O102 117.0(4) . . ?
C114 C113 C112 117.6(5) . . ?
C114 C113 C122 116.0(5) . . ?
C112 C113 C122 126.4(4) . . ?
C113 C114 C115 123.7(5) . . ?
C116 C115 C114 116.4(5) . . ?
C116 C115 C118 122.8(5) . . ?
C114 C115 C118 120.9(6) . . ?
C115 C116 C117 123.7(5) . . ?
C116 C117 C112 117.4(5) . . ?
C116 C117 C111 116.9(5) . . ?
C112 C117 C111 125.6(5) . . ?
C501 C118 C120 51.7(9) . . ?
C501 C118 C121 129.1(15) . . ?
C120 C118 C121 121.2(9) . . ?
C501 C118 C502 127.9(26) . . ?
C120 C118 C502 80.4(22) . . ?
C121 C118 C502 56.4(15) . . ?
C501 C118 C503 92.2(20) . . ?
C120 C118 C503 129.2(30) . . ?
C121 C118 C503 51.2(9) . . ?
C502 C118 C503 106.7(20) . . ?
C501 C118 C115 111.2(15) . . ?
C120 C118 C115 114.6(7) . . ?
C121 C118 C115 114.5(6) . . ?
C502 C118 C115 106.2(25) . . ?
C503 C118 C115 111.3(31) . . ?
C501 C118 C119 49.4(9) . . ?
C120 C118 C119 99.7(10) . . ?
C121 C118 C119 97.6(9) . . ?
C502 C118 C119 146.3(22) . . ?
C503 C118 C119 47.6(9) . . ?
C115 C118 C119 104.3(7) . . ?
C128 C122 C113 117.8(4) . . ?
C128 C123 C124 123.6(4) . . ?
C128 C123 O103 117.8(4) . . ?
C124 C123 O103 118.5(4) . . ?
C123 C124 C125 116.8(4) . . ?
C123 C124 C133 119.2(4) . . ?
C125 C124 C133 124.0(4) . . ?
C126 C125 C124 122.4(5) . . ?
C125 C126 C127 118.1(5) . . ?
C125 C126 C129 122.8(5) . . ?
C127 C126 C129 119.1(5) . . ?
C128 C127 C126 121.2(5) . . ?
C123 C128 C127 117.8(4) . . ?
C123 C128 C122 118.9(4) . . ?
C127 C128 C122 123.2(4) . . ?
C130 C129 C131 109.7(6) . . ?
C130 C129 C132 109.5(6) . . ?
C131 C129 C132 108.5(5) . . ?
C130 C129 C126 109.7(5) . . ?
C131 C129 C126 111.7(5) . . ?
C132 C129 C126 107.7(5) . . ?
C124 C133 C139 113.1(4) . . ?
C135 C134 C139 121.1(4) . . ?
C135 C134 O104 116.2(4) . . ?
C139 C134 O104 122.2(4) . . ?
C136 C135 C134 118.0(4) . . ?
C136 C135 C144 117.1(4) . . ?
C134 C135 C144 124.6(4) . . ?
C135 C136 C137 123.0(5) . . ?
C136 C137 C138 116.8(5) . . ?
C136 C137 C140 123.1(5) . . ?
C138 C137 C140 120.0(5) . . ?
C137 C138 C139 123.0(5) . . ?
C138 C139 C134 117.7(4) . . ?
C138 C139 C133 117.4(4) . . ?
C134 C139 C133 124.8(4) . . ?
C141 C140 C142 108.7(6) . . ?
C141 C140 C137 110.5(5) . . ?
C142 C140 C137 111.4(5) . . ?
C141 C140 C143 109.2(6) . . ?
C142 C140 C143 108.1(6) . . ?
C137 C140 C143 108.8(5) . . ?
C106 C144 C135 119.3(4) . . ?
C145 O105 Rh1 127.9(3) . . ?
C147 O106 Rh1 127.2(3) . . ?
O105 C145 C146 124.7(4) . . ?
O105 C145 C148 115.3(4) . . ?
C146 C145 C148 120.1(4) . . ?
C147 C146 C145 126.6(5) . . ?
O106 C147 C146 124.9(4) . . ?
O106 C147 C152 114.2(4) . . ?
C146 C147 C152 120.9(4) . . ?
C149 C148 C145 110.8(4) . . ?
C149 C148 C150 109.9(5) . . ?
C145 C148 C150 108.2(4) . . ?
C149 C148 C151 109.6(5) . . ?
C145 C148 C151 109.7(4) . . ?
C150 C148 C151 108.6(5) . . ?
C153 C152 C155 110.4(6) . . ?
C153 C152 C154 108.9(6) . . ?
C155 C152 C154 108.1(6) . . ?
C153 C152 C147 113.5(5) . . ?
C155 C152 C147 109.4(4) . . ?
C154 C152 C147 106.3(4) . . ?
C2 Rh2 O206 176.9(2) . . ?
C2 Rh2 O205 88.4(2) . . ?
O206 Rh2 O205 88.60(13) . . ?
C2 Rh2 P2 93.6(2) . . ?
O206 Rh2 P2 89.25(10) . . ?
O205 Rh2 P2 172.88(11) . . ?
O2 C2 Rh2 173.4(5) . . ?
O202 P2 O203 104.6(2) . . ?
O202 P2 O204 103.1(2) . . ?
O203 P2 O204 101.2(2) . . ?
O202 P2 Rh2 112.11(13) . . ?
O203 P2 Rh2 107.77(13) . . ?
O204 P2 Rh2 125.80(12) . . ?
C212 O202 P2 141.9(3) . . ?
C223 O203 P2 121.7(3) . . ?
C234 O204 P2 125.3(3) . . ?
O201 C201 C202 121.7(4) . . ?
O201 C201 C206 118.1(5) . . ?
C202 C201 C206 120.1(5) . . ?
C201 C202 C203 119.1(4) . . ?
C201 C202 C211 121.0(4) . . ?
C203 C202 C211 119.9(5) . . ?
C204 C203 C202 122.2(5) . . ?
C203 C204 C205 116.7(5) . . ?
C203 C204 C207 121.5(5) . . ?
C205 C204 C207 121.8(4) . . ?
C206 C205 C204 122.7(4) . . ?
C205 C206 C201 118.8(5) . . ?
C205 C206 C244 121.8(4) . . ?
C201 C206 C244 119.5(5) . . ?
C210 C207 C209 106.7(5) . . ?
C210 C207 C204 112.1(4) . . ?
C209 C207 C204 111.3(4) . . ?
C210 C207 C208 109.0(5) . . ?
C209 C207 C208 109.4(5) . . ?
C204 C207 C208 108.3(5) . . ?
C202 C211 C217 118.0(4) . . ?
C217 C212 O202 116.1(4) . . ?
C217 C212 C213 121.0(4) . . ?
O202 C212 C213 122.4(4) . . ?
C214 C213 C212 117.4(4) . . ?
C214 C213 C222 117.4(4) . . ?
C212 C213 C222 125.1(4) . . ?
C215 C214 C213 123.7(5) . . ?
C216 C215 C214 116.7(4) . . ?
C216 C215 C218 122.6(5) . . ?
C214 C215 C218 120.7(5) . . ?
C215 C216 C217 122.7(5) . . ?
C212 C217 C216 118.3(4) . . ?
C212 C217 C211 125.1(4) . . ?
C216 C217 C211 116.3(4) . . ?
C219 C218 C221 110.1(5) . . ?
C219 C218 C215 109.1(5) . . ?
C221 C218 C215 111.6(5) . . ?
C219 C218 C220 109.4(5) . . ?
C221 C218 C220 107.2(5) . . ?
C215 C218 C220 109.4(4) . . ?
C228 C222 C213 114.9(4) . . ?
C228 C223 C224 123.5(5) . . ?
C228 C223 O203 118.9(4) . . ?
C224 C223 O203 117.4(4) . . ?
C223 C224 C225 117.1(5) . . ?
C223 C224 C233 119.5(4) . . ?
C225 C224 C233 123.3(5) . . ?
C224 C225 C226 122.3(5) . . ?
C227 C226 C225 117.3(5) . . ?
C227 C226 C229 121.7(5) . . ?
C225 C226 C229 121.0(5) . . ?
C228 C227 C226 122.0(5) . . ?
C223 C228 C227 117.6(5) . . ?
C223 C228 C222 118.7(4) . . ?
C227 C228 C222 123.6(4) . . ?
C231 C229 C230 115.9(11) . . ?
C506 C229 C505 116.5(12) . . ?
C231 C229 C226 114.6(7) . . ?
C506 C229 C226 116.6(9) . . ?
C230 C229 C226 110.1(8) . . ?
C505 C229 C226 110.3(7) . . ?
C231 C229 C232 105.4(9) . . ?
C230 C229 C232 105.5(12) . . ?
C226 C229 C232 104.1(6) . . ?
C506 C229 C504 102.0(12) . . ?
C505 C229 C504 103.6(11) . . ?
C226 C229 C504 106.0(7) . . ?
C224 C233 C239 115.9(4) . . ?
C235 C234 C239 120.8(4) . . ?
C235 C234 O204 117.4(4) . . ?
C239 C234 O204 121.7(4) . . ?
C234 C235 C236 118.2(4) . . ?
C234 C235 C244 124.6(4) . . ?
C236 C235 C244 117.0(4) . . ?
C237 C236 C235 123.3(5) . . ?
C236 C237 C238 116.3(5) . . ?
C236 C237 C240 123.7(5) . . ?
C238 C237 C240 119.9(5) . . ?
C239 C238 C237 123.1(5) . . ?
C238 C239 C234 118.2(4) . . ?
C238 C239 C233 116.0(4) . . ?
C234 C239 C233 125.8(4) . . ?
C242 C240 C241 109.5(7) . . ?
C242 C240 C237 111.5(5) . . ?
C241 C240 C237 108.6(5) . . ?
C242 C240 C243 109.1(6) . . ?
C241 C240 C243 108.6(5) . . ?
C237 C240 C243 109.4(5) . . ?
C206 C244 C235 115.9(4) . . ?
C245 O205 Rh2 126.9(3) . . ?
C247 O206 Rh2 127.5(3) . . ?
O205 C245 C246 125.7(5) . . ?
O205 C245 C248 113.9(5) . . ?
C246 C245 C248 120.4(5) . . ?
C245 C246 C247 125.6(5) . . ?
O206 C247 C246 125.4(5) . . ?
O206 C247 C252 115.5(4) . . ?
C246 C247 C252 119.1(5) . . ?
C250 C248 C251 109.6(6) . . ?
C250 C248 C249 109.5(5) . . ?
C251 C248 C249 108.5(5) . . ?
C250 C248 C245 107.2(5) . . ?
C251 C248 C245 114.0(5) . . ?
C249 C248 C245 107.9(5) . . ?
C255 C252 C254 108.7(5) . . ?
C255 C252 C253 108.9(5) . . ?
C254 C252 C253 110.4(6) . . ?
C255 C252 C247 109.4(5) . . ?
C254 C252 C247 108.7(4) . . ?
C253 C252 C247 110.7(5) . . ?
Cl1 C301 Cl2 113.6(5) . . ?
Cl3 C302 Cl4 113.9(6) . . ?
Cl4' C510 Cl3' 111.2(7) . . ?
Cl6 C303 Cl5 78.3(10) . . ?
C303 Cl5 Cl6 44.5(8) . . ?
C303 Cl6 Cl5 57.2(6) . . ?
Cl5' C511 Cl6' 106.6(14) . . ?
C306 C304 C305 74.4(25) . . ?
C306 C304 C304 41.1(21) . 2_687 ?
C305 C304 C304 115.4(22) . 2_687 ?
C304 C305 C306 38.6(18) . . ?
C304 C306 C306 70.6(38) . 2_687 ?
C304 C306 C305 67.0(21) . . ?
C306 C306 C305 137.5(47) 2_687 . ?
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 C1 1.817(5) . ?
Rh1 O105 2.034(3) . ?
Rh1 O106 2.063(3) . ?
Rh1 P1 2.1842(13) . ?
P1 O104 1.593(3) . ?
P1 O103 1.611(3) . ?
P1 O102 1.631(3) . ?
C1 O1 1.152(6) . ?
O101 C101 1.407(6) . ?
O102 C112 1.428(6) . ?
O103 C123 1.406(5) . ?
O104 C134 1.407(5) . ?
C101 C102 1.378(7) . ?
C101 C106 1.380(7) . ?
C102 C103 1.400(7) . ?
C102 C111 1.520(8) . ?
C103 C104 1.386(8) . ?
C104 C105 1.396(8) . ?
C104 C107 1.538(8) . ?
C105 C106 1.393(7) . ?
C106 C144 1.504(7) . ?
C107 C108 1.461(10) . ?
C107 C110 1.511(8) . ?
C107 C109 1.564(11) . ?
C111 C117 1.520(8) . ?
C112 C113 1.405(7) . ?
C112 C117 1.407(7) . ?
C113 C114 1.385(7) . ?
C113 C122 1.524(7) . ?
C114 C115 1.395(8) . ?
C115 C116 1.377(9) . ?
C115 C118 1.534(9) . ?
C116 C117 1.396(8) . ?
C118 C501 1.37(3) . ?
C118 C120 1.437(13) . ?
C118 C121 1.461(12) . ?
C118 C502 1.47(5) . ?
C118 C503 1.50(6) . ?
C118 C119 1.73(2) . ?
C122 C128 1.512(7) . ?
C123 C128 1.377(7) . ?
C123 C124 1.388(6) . ?
C124 C125 1.396(7) . ?
C124 C133 1.512(7) . ?
C125 C126 1.384(7) . ?
C126 C127 1.407(7) . ?
C126 C129 1.557(7) . ?
C127 C128 1.391(7) . ?
C129 C130 1.528(9) . ?
C129 C131 1.530(9) . ?
C129 C132 1.547(9) . ?
C133 C139 1.517(6) . ?
C134 C135 1.404(7) . ?
C134 C139 1.404(7) . ?
C135 C136 1.394(7) . ?
C135 C144 1.523(7) . ?
C136 C137 1.394(7) . ?
C137 C138 1.396(7) . ?
C137 C140 1.541(8) . ?
C138 C139 1.400(7) . ?
C140 C141 1.520(10) . ?
C140 C142 1.522(9) . ?
C140 C143 1.551(10) . ?
O105 C145 1.286(6) . ?
O106 C147 1.279(6) . ?
C145 C146 1.401(7) . ?
C145 C148 1.529(7) . ?
C146 C147 1.400(7) . ?
C147 C152 1.545(6) . ?
C148 C149 1.526(8) . ?
C148 C150 1.534(7) . ?
C148 C151 1.538(8) . ?
C152 C153 1.506(8) . ?
C152 C155 1.510(8) . ?
C152 C154 1.528(8) . ?
Rh2 C2 1.814(6) . ?
Rh2 O206 2.042(3) . ?
Rh2 O205 2.059(3) . ?
Rh2 P2 2.1855(13) . ?
C2 O2 1.155(6) . ?
P2 O202 1.596(3) . ?
P2 O203 1.615(3) . ?
P2 O204 1.616(3) . ?
O201 C201 1.385(6) . ?
O202 C212 1.410(5) . ?
O203 C223 1.400(5) . ?
O204 C234 1.427(5) . ?
C201 C202 1.386(7) . ?
C201 C206 1.401(7) . ?
C202 C203 1.403(7) . ?
C202 C211 1.512(7) . ?
C203 C204 1.388(7) . ?
C204 C205 1.398(7) . ?
C204 C207 1.538(7) . ?
C205 C206 1.386(7) . ?
C206 C244 1.517(7) . ?
C207 C210 1.528(8) . ?
C207 C209 1.533(8) . ?
C207 C208 1.543(8) . ?
C211 C217 1.527(7) . ?
C212 C217 1.396(7) . ?
C212 C213 1.413(6) . ?
C213 C214 1.395(7) . ?
C213 C222 1.523(7) . ?
C214 C215 1.395(7) . ?
C215 C216 1.390(7) . ?
C215 C218 1.543(7) . ?
C216 C217 1.407(7) . ?
C218 C219 1.508(9) . ?
C218 C221 1.523(8) . ?
C218 C220 1.550(8) . ?
C222 C228 1.515(7) . ?
C223 C228 1.378(7) . ?
C223 C224 1.382(7) . ?
C224 C225 1.396(7) . ?
C224 C233 1.511(7) . ?
C225 C226 1.400(8) . ?
C226 C227 1.400(8) . ?
C226 C229 1.536(8) . ?
C227 C228 1.395(7) . ?
C229 C231 1.454(15) . ?
C229 C506 1.47(2) . ?
C229 C230 1.47(2) . ?
C229 C505 1.50(2) . ?
C229 C232 1.680(15) . ?
C229 C504 1.70(2) . ?
C233 C239 1.528(7) . ?
C234 C235 1.397(7) . ?
C234 C239 1.401(7) . ?
C235 C236 1.397(7) . ?
C235 C244 1.521(7) . ?
C236 C237 1.389(7) . ?
C237 C238 1.398(7) . ?
C237 C240 1.535(7) . ?
C238 C239 1.395(7) . ?
C240 C242 1.525(9) . ?
C240 C241 1.534(9) . ?
C240 C243 1.539(9) . ?
O205 C245 1.268(6) . ?
O206 C247 1.268(6) . ?
C245 C246 1.399(7) . ?
C245 C248 1.554(7) . ?
C246 C247 1.406(7) . ?
C247 C252 1.547(7) . ?
C248 C250 1.523(9) . ?
C248 C251 1.529(9) . ?
C248 C249 1.540(8) . ?
C252 C255 1.526(8) . ?
C252 C254 1.530(8) . ?
C252 C253 1.531(8) . ?
C301 Cl1 1.689(9) . ?
C301 Cl2 1.753(10) . ?
C302 Cl3 1.653(11) . ?
C302 Cl4 1.756(13) . ?
C510 Cl4' 1.68(2) . ?
C510 Cl3' 1.84(2) . ?
C303 Cl6 1.68(2) . ?
C303 Cl5 2.02(2) . ?
Cl5 Cl6 2.35(2) . ?
C511 Cl5' 1.74(2) . ?
C511 Cl6' 1.78(2) . ?
C304 C306 0.94(4) . ?
C304 C305 1.38(2) . ?
C304 C304 1.90(3) 2_687 ?
C305 C306 1.45(3) . ?
C306 C306 1.33(7) 2_687 ?
