#------------------------------------------------------------------------------
#$Date: 2022-08-24 01:07:24 +0300 (Wed, 24 Aug 2022) $
#$Revision: 277359 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/75/1567524.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_1567524
loop_
_publ_author_name
'Som, Salina'
'Choi, Jongwook'
'Katsoulis, Dimitris'
'Lee, Kangsang L.'
_publ_section_title
;
 Direct Method to Access Various Functional Arylalkoxysilanes by
 Rh-catalysed Intermolecular C--H Silylation of Alkoxysilane
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/D2SC03727K
_journal_year                    2022
_chemical_formula_sum            'C34 H36.5 Cl0.5 P2 Rh'
_chemical_formula_weight         627.70
_chemical_properties_physical    Air-sensitive,Moisture-sensitive,Hygroscopic
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2022-04-13 deposited with the CCDC.	2022-08-19 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.8094(3)
_cell_length_b                   22.1084(5)
_cell_length_c                   24.4640(5)
_cell_measurement_reflns_used    9977
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.10
_cell_measurement_theta_min      2.26
_cell_volume                     5846.4(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0219
_diffrn_reflns_av_unetI/netI     0.0350
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            28950
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.173
_diffrn_reflns_theta_min         1.241
_exptl_absorpt_coefficient_mu    0.761
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_correction_T_min  0.89
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.426
_exptl_crystal_description       chunk
_exptl_crystal_F_000             2592
_exptl_crystal_size_max          0.303
_exptl_crystal_size_mid          0.201
_exptl_crystal_size_min          0.199
_refine_diff_density_max         0.605
_refine_diff_density_min         -0.355
_refine_diff_density_rms         0.067
_refine_ls_abs_structure_details
; 
 Flack x determined using 5034 quotients [(I+)-(I-)]/[(I+)+(I-)] 
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). 
;
_refine_ls_abs_structure_Flack   -0.021(8)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     669
_refine_ls_number_reflns         12742
_refine_ls_number_restraints     48
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.0288
_refine_ls_R_factor_gt           0.0248
_refine_ls_shift/su_max          0.048
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0346P)²+0.0091P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0566
_refine_ls_wR_factor_ref         0.0627
_reflns_Friedel_coverage         0.797
_reflns_Friedel_fraction_full    0.994
_reflns_Friedel_fraction_max     0.967
_reflns_number_gt                11905
_reflns_number_total             12742
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2sc03727k2.cif
_cod_data_source_block           bv_a
_cod_original_formula_sum        'C34 H36.50 Cl0.50 P2 Rh'
_cod_database_code               1567524
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
_shelx_estimated_absorpt_t_min   0.802
_shelx_estimated_absorpt_t_max   0.863
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh01 Rh 0.80804(3) 0.58717(2) 0.71066(2) 0.01360(6) Uani 1 1 d . . . A 4
Rh02 Rh 0.74932(3) 0.55561(2) 0.60230(2) 0.01378(6) Uani 1 1 d . . . A 4
Cl03 Cl 0.92851(8) 0.61043(4) 0.63089(3) 0.01788(18) Uani 1 1 d . . . A 4
P3 P 0.57593(9) 0.51365(4) 0.58087(4) 0.01514(18) Uani 1 1 d . . . A 4
P2 P 0.70804(8) 0.55464(4) 0.78151(3) 0.01581(18) Uani 1 1 d . . . A 4
P1 P 0.92819(9) 0.63605(4) 0.76860(4) 0.01745(19) Uani 1 1 d . . . A 4
P4 P 0.78762(9) 0.55521(4) 0.51446(3) 0.01668(19) Uani 1 1 d . . . A 4
C22 C 0.5457(3) 0.57894(16) 0.79581(13) 0.0189(7) Uani 1 1 d . . . A 4
H22 H 0.5005 0.5791 0.7601 0.023 Uiso 1 1 calc R U . A 4
C29 C 0.5401(4) 0.64272(18) 0.81855(15) 0.0226(8) Uani 1 1 d . . . A 4
C47 C 0.5690(4) 0.38726(15) 0.55838(15) 0.0238(9) Uani 1 1 d . . . A 4
C40 C 0.5601(4) 0.43266(14) 0.60430(13) 0.0176(7) Uani 1 1 d . . . A 4
H40 H 0.6323 0.4247 0.6288 0.021 Uiso 1 1 calc R U . A 4
C38 C 0.4170(4) 0.49535(15) 0.66107(14) 0.0188(8) Uani 1 1 d . . . A 4
H38A H 0.3337 0.4976 0.6778 0.023 Uiso 1 1 calc R U . A 4
H38B H 0.4791 0.5083 0.6884 0.023 Uiso 1 1 calc R U . A 4
C43 C 0.4409(4) 0.69925(16) 0.65731(15) 0.0229(8) Uani 1 1 d . . . A 4
H43 H 0.4918 0.7242 0.6795 0.027 Uiso 1 1 calc R U . A 4
C56 C 0.8112(4) 0.63144(15) 0.48199(14) 0.0212(8) Uani 1 1 d . . . A 4
H56 H 0.8473 0.6580 0.5110 0.025 Uiso 1 1 calc R U . A 4
C63 C 0.6913(4) 0.66002(15) 0.46573(14) 0.0208(8) Uani 1 1 d . . . A 4
C23 C 0.7185(3) 0.42503(15) 0.75527(15) 0.0218(8) Uani 1 1 d . . . A 4
C6 C 1.0941(4) 0.60958(18) 0.76823(15) 0.0240(8) Uani 1 1 d . . . A 4
H6 H 1.1032 0.5826 0.7357 0.029 Uiso 1 1 calc R U . A 4
C37 C 0.4237(3) 0.53515(15) 0.60996(14) 0.0182(7) Uani 1 1 d . . . A 4
H37 H 0.3595 0.5196 0.5841 0.022 Uiso 1 1 calc R U . A 4
C44 C 0.3367(4) 0.72337(16) 0.63268(15) 0.0243(9) Uani 1 1 d . . . A 4
H44 H 0.3162 0.7647 0.6381 0.029 Uiso 1 1 calc R U . A 4
C34 C 0.5881(4) 0.69018(16) 0.78842(16) 0.0229(8) Uani 1 1 d . . . A 4
H34 H 0.6205 0.6826 0.7530 0.028 Uiso 1 1 calc R U . A 4
C41 C 0.3976(3) 0.60197(15) 0.61759(13) 0.0170(7) Uani 1 1 d . . . A 4
C39 C 0.4442(4) 0.43086(15) 0.64115(14) 0.0205(8) Uani 1 1 d . . . A 4
H39A H 0.3727 0.4150 0.6203 0.025 Uiso 1 1 calc R U . A 4
H39B H 0.4589 0.4039 0.6728 0.025 Uiso 1 1 calc R U . A 4
C60 C 1.1127(4) 0.38387(19) 0.5749(2) 0.0361(11) Uani 1 1 d . . . A 4
H60 H 1.1539 0.3530 0.5949 0.043 Uiso 1 1 calc R U . A 4
C57 C 0.9954(4) 0.47488(17) 0.51516(15) 0.0244(8) Uani 1 1 d . . . A 4
C19 C 0.6726(3) 0.47215(15) 0.79522(14) 0.0207(8) Uani 1 1 d . . . A 4
H19 H 0.7129 0.4624 0.8310 0.025 Uiso 1 1 calc R U . A 4
C35 C 0.5443(4) 0.51859(15) 0.50703(13) 0.0178(8) Uani 1 1 d . . . A 4
H35A H 0.4902 0.4847 0.4957 0.021 Uiso 1 1 calc R U . A 4
H35B H 0.5011 0.5570 0.4988 0.021 Uiso 1 1 calc R U . A 4
C36 C 0.6659(4) 0.51585(15) 0.47561(14) 0.0201(8) Uani 1 1 d . . . A 4
H36A H 0.6557 0.5352 0.4394 0.024 Uiso 1 1 calc R U . A 4
H36B H 0.6900 0.4731 0.4698 0.024 Uiso 1 1 calc R U . A 4
C21 C 0.4902(4) 0.52876(17) 0.83045(14) 0.0238(8) Uani 1 1 d . . . A 4
H21A H 0.3987 0.5314 0.8302 0.029 Uiso 1 1 calc R U . A 4
H21B H 0.5193 0.5321 0.8687 0.029 Uiso 1 1 calc R U . A 4
C53 C 0.9300(4) 0.52248(17) 0.48174(15) 0.0231(8) Uani 1 1 d . . . A 4
H53 H 0.9020 0.5021 0.4474 0.028 Uiso 1 1 calc R U . A 4
C24 C 0.6603(4) 0.36890(17) 0.75222(18) 0.0313(10) Uani 1 1 d . . . A 4
H24 H 0.5917 0.3608 0.7754 0.038 Uiso 1 1 calc R U . A 4
C30 C 0.4875(4) 0.6551(2) 0.86945(16) 0.0309(10) Uani 1 1 d . . . A 4
H30 H 0.4507 0.6235 0.8902 0.037 Uiso 1 1 calc R U . A 4
C3 C 0.9742(4) 0.71652(17) 0.76039(15) 0.0253(9) Uani 1 1 d . . . A 4
H3 H 0.9986 0.7312 0.7975 0.030 Uiso 1 1 calc R U . A 4
C27 C 0.8581(4) 0.39069(18) 0.68366(17) 0.0335(10) Uani 1 1 d . . . A 4
H27 H 0.9255 0.3986 0.6598 0.040 Uiso 1 1 calc R U . A 4
C64 C 0.6430(4) 0.65650(15) 0.41293(14) 0.0229(8) Uani 1 1 d . . . A 4
H64 H 0.6888 0.6364 0.3852 0.027 Uiso 1 1 calc R U . A 4
C58 C 1.0635(4) 0.48883(18) 0.56132(17) 0.0286(9) Uani 1 1 d . . . A 4
H58 H 1.0707 0.5298 0.5727 0.034 Uiso 1 1 calc R U . A 4
C28 C 0.8197(4) 0.43470(16) 0.72098(15) 0.0253(8) Uani 1 1 d . . . A 4
H28 H 0.8633 0.4719 0.7230 0.030 Uiso 1 1 calc R U . A 4
C20 C 0.5321(4) 0.46911(17) 0.80565(15) 0.0223(8) Uani 1 1 d . . . A 4
H20A H 0.4879 0.4618 0.7708 0.027 Uiso 1 1 calc R U . A 4
H20B H 0.5131 0.4354 0.8310 0.027 Uiso 1 1 calc R U . A 4
C52 C 0.4666(5) 0.36830(18) 0.52844(16) 0.0342(11) Uani 1 1 d . . . A 4
H52 H 0.3869 0.3839 0.5368 0.041 Uiso 1 1 calc R U . A 4
C42 C 0.4718(4) 0.63871(16) 0.64978(14) 0.0204(8) Uani 1 1 d . . . A 4
H42 H 0.5437 0.6226 0.6667 0.024 Uiso 1 1 calc R U . A 4
C33 C 0.5897(4) 0.74865(18) 0.80914(17) 0.0321(10) Uani 1 1 d . . . A 4
H33 H 0.6241 0.7807 0.7882 0.039 Uiso 1 1 calc R U . A 4
C4 C 1.0935(4) 0.71165(19) 0.72723(16) 0.0273(9) Uani 1 1 d . . . A 4
H4A H 1.0756 0.6978 0.6896 0.033 Uiso 1 1 calc R U . A 4
H4B H 1.1356 0.7514 0.7253 0.033 Uiso 1 1 calc R U . A 4
C45 C 0.2630(4) 0.68762(16) 0.60041(15) 0.0268(8) Uani 1 1 d . . . A 4
H45 H 0.1919 0.7042 0.5832 0.032 Uiso 1 1 calc R U . A 4
C46 C 0.2931(4) 0.62665(16) 0.59297(15) 0.0236(8) Uani 1 1 d . . . A 4
H46 H 0.2416 0.6018 0.5709 0.028 Uiso 1 1 calc R U . A 4
C1 C 0.8666(3) 0.63247(17) 0.83829(14) 0.0195(8) Uani 1 1 d . . . A 4
H1A H 0.9355 0.6336 0.8649 0.023 Uiso 1 1 calc R U . A 4
H1B H 0.8126 0.6678 0.8451 0.023 Uiso 1 1 calc R U . A 4
C5 C 1.1738(4) 0.66600(19) 0.75678(17) 0.0339(10) Uani 1 1 d . . . A 4
H5A H 1.2045 0.6833 0.7915 0.041 Uiso 1 1 calc R U . A 4
H5B H 1.2459 0.6550 0.7339 0.041 Uiso 1 1 calc R U . A 4
C48 C 0.6844(5) 0.36429(17) 0.54430(16) 0.0346(10) Uani 1 1 d . . . A 4
H48 H 0.7555 0.3767 0.5642 0.042 Uiso 1 1 calc R U . A 4
C26 C 0.7974(5) 0.33525(18) 0.68165(18) 0.0367(11) Uani 1 1 d . . . A 4
H26 H 0.8233 0.3051 0.6565 0.044 Uiso 1 1 calc R U . A 4
C7 C 0.8815(4) 0.76129(17) 0.73865(18) 0.0300(9) Uani 1 1 d . . . A 4
C54 C 1.0057(4) 0.57819(18) 0.46396(15) 0.0282(9) Uani 1 1 d . . . A 4
H54A H 1.0480 0.5965 0.4958 0.034 Uiso 1 1 calc R U . A 4
H54B H 1.0688 0.5666 0.4365 0.034 Uiso 1 1 calc R U . A 4
C25 C 0.7004(4) 0.32441(18) 0.7159(2) 0.0376(11) Uani 1 1 d . . . A 4
H25 H 0.6599 0.2863 0.7150 0.045 Uiso 1 1 calc R U . A 4
C61 C 1.0440(5) 0.36980(19) 0.52981(19) 0.0376(11) Uani 1 1 d . . . A 4
H61 H 1.0371 0.3288 0.5186 0.045 Uiso 1 1 calc R U . A 4
C59 C 1.1215(4) 0.4436(2) 0.59112(17) 0.0335(10) Uani 1 1 d . . . A 4
H59 H 1.1676 0.4537 0.6229 0.040 Uiso 1 1 calc R U . A 4
C55 C 0.9130(4) 0.62242(18) 0.43939(15) 0.0272(9) Uani 1 1 d . . . A 4
H55A H 0.8778 0.6058 0.4052 0.033 Uiso 1 1 calc R U . A 4
H55B H 0.9538 0.6614 0.4310 0.033 Uiso 1 1 calc R U . A 4
C8 C 0.8107(4) 0.74988(17) 0.69242(17) 0.0301(9) Uani 1 1 d . . . A 4
H8 H 0.8170 0.7118 0.6747 0.036 Uiso 1 1 calc R U . A 4
C68 C 0.6197(4) 0.68861(16) 0.50599(16) 0.0265(9) Uani 1 1 d . . . A 4
H68 H 0.6499 0.6910 0.5424 0.032 Uiso 1 1 calc R U . A 4
C32 C 0.5411(5) 0.7600(2) 0.86020(18) 0.0434(13) Uani 1 1 d . . . A 4
H32 H 0.5436 0.7998 0.8749 0.052 Uiso 1 1 calc R U . A 4
C65 C 0.5289(4) 0.68193(17) 0.40026(17) 0.0292(9) Uani 1 1 d . . . A 4
H65 H 0.4980 0.6797 0.3640 0.035 Uiso 1 1 calc R U . A 4
C2 C 0.7929(4) 0.57439(16) 0.84553(13) 0.0212(8) Uani 1 1 d . . . A 4
H2A H 0.7330 0.5795 0.8758 0.025 Uiso 1 1 calc R U . A 4
H2B H 0.8497 0.5410 0.8553 0.025 Uiso 1 1 calc R U . A 4
C66 C 0.4605(4) 0.71031(18) 0.44022(19) 0.0360(10) Uani 1 1 d . . . A 4
H66 H 0.3826 0.7278 0.4315 0.043 Uiso 1 1 calc R U . A 4
C62 C 0.9846(4) 0.41432(18) 0.50023(17) 0.0323(10) Uani 1 1 d . . . A 4
H62 H 0.9360 0.4036 0.4694 0.039 Uiso 1 1 calc R U . A 4
C12 C 0.8701(5) 0.8176(2) 0.7635(2) 0.0513(14) Uani 1 1 d . . . A 4
H12 H 0.9169 0.8262 0.7954 0.062 Uiso 1 1 calc R U . A 4
C31 C 0.4891(5) 0.7137(2) 0.88965(17) 0.0437(13) Uani 1 1 d . . . A 4
H31 H 0.4537 0.7220 0.9244 0.052 Uiso 1 1 calc R U . A 4
C50 C 0.5957(7) 0.3045(2) 0.47277(18) 0.0566(19) Uani 1 1 d . . . A 4
H50 H 0.6045 0.2763 0.4437 0.068 Uiso 1 1 calc R U . A 4
C67 C 0.5056(5) 0.71334(18) 0.49340(18) 0.0339(10) Uani 1 1 d . . . A 4
H67 H 0.4580 0.7324 0.5211 0.041 Uiso 1 1 calc R U . A 4
C10 C 0.7222(5) 0.8495(2) 0.6972(3) 0.0660(19) Uani 1 1 d . . . A 4
H10 H 0.6682 0.8797 0.6832 0.079 Uiso 1 1 calc R U . A 4
C51 C 0.4808(6) 0.32632(19) 0.48598(18) 0.0478(15) Uani 1 1 d . . . A 4
H51 H 0.4103 0.3129 0.4662 0.057 Uiso 1 1 calc R U . A 4
C9 C 0.7304(4) 0.7936(2) 0.6718(2) 0.0446(12) Uani 1 1 d . . . A 4
H9 H 0.6815 0.7851 0.6404 0.054 Uiso 1 1 calc R U . A 4
C11 C 0.7923(6) 0.8610(2) 0.7427(3) 0.071(2) Uani 1 1 d . . . A 4
H11 H 0.7872 0.8994 0.7600 0.086 Uiso 1 1 calc R U . A 4
C49 C 0.6972(7) 0.32304(18) 0.50124(19) 0.0521(16) Uani 1 1 d . . . A 4
H49 H 0.7767 0.3080 0.4919 0.063 Uiso 1 1 calc R U . A 4
C14 C 1.1047(3) 0.50958(12) 0.81567(14) 0.0521(14) Uani 1 1 d G U . A 4
H14 H 1.0714 0.4922 0.7834 0.063 Uiso 1 1 calc R U . A 4
C13 C 1.1273(3) 0.57142(11) 0.81807(9) 0.0268(9) Uani 1 1 d G U . A 4
C18 C 1.1761(3) 0.59687(11) 0.86535(11) 0.0344(10) Uani 1 1 d G U . A 4
H18 H 1.1916 0.6391 0.8670 0.041 Uiso 1 1 calc R U . A 4
C17 C 1.2023(3) 0.56049(18) 0.91022(9) 0.0614(16) Uani 1 1 d G U . A 4
H17 H 1.2356 0.5779 0.9425 0.074 Uiso 1 1 calc R U . A 4
C16 C 1.1797(3) 0.49866(17) 0.90782(14) 0.085(2) Uani 1 1 d G U . A 4
H16 H 1.1975 0.4738 0.9385 0.101 Uiso 1 1 calc R U . A 4
C15 C 1.1309(3) 0.47320(10) 0.86055(18) 0.080(2) Uani 1 1 d G U . A 4
H15 H 1.1154 0.4309 0.8589 0.096 Uiso 1 1 calc R U . A 4
H1 H 0.711(5) 0.546(2) 0.6722(19) 0.056(15) Uiso 1 1 d . . . B 4
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
P2 Rh01 P1 86.69(3) . . ?
P2 Rh01 Cl03 172.77(3) . . ?
P1 Rh01 Cl03 95.62(3) . . ?
P2 Rh01 Rh02 123.99(3) . . ?
P1 Rh01 Rh02 149.30(3) . . ?
Cl03 Rh01 Rh02 53.84(2) . . ?
P2 Rh01 H1 87.5(17) . . ?
P1 Rh01 H1 174.1(16) . . ?
Cl03 Rh01 H1 90.0(17) . . ?
Rh02 Rh01 H1 36.5(16) . . ?
P3 Rh02 P4 85.64(3) . . ?
P3 Rh02 Cl03 173.77(3) . . ?
P4 Rh02 Cl03 97.82(3) . . ?
P3 Rh02 Rh01 122.14(3) . . ?
P4 Rh02 Rh01 152.06(3) . . ?
Cl03 Rh02 Rh01 54.24(2) . . ?
P3 Rh02 H1 88.8(17) . . ?
P4 Rh02 H1 172.5(15) . . ?
Cl03 Rh02 H1 88.2(17) . . ?
Rh01 Rh02 H1 34.3(17) . . ?
Rh02 Cl03 Rh01 71.92(3) . . ?
C35 P3 C37 101.35(17) . . ?
C35 P3 C40 109.70(15) . . ?
C37 P3 C40 92.65(16) . . ?
C35 P3 Rh02 111.97(13) . . ?
C37 P3 Rh02 124.59(12) . . ?
C40 P3 Rh02 114.40(12) . . ?
C2 P2 C22 103.72(16) . . ?
C2 P2 C19 100.14(16) . . ?
C22 P2 C19 93.09(16) . . ?
C2 P2 Rh01 110.40(12) . . ?
C22 P2 Rh01 121.55(11) . . ?
C19 P2 Rh01 124.23(12) . . ?
C1 P1 C3 103.84(17) . . ?
C1 P1 C6 109.67(17) . . ?
C3 P1 C6 92.41(19) . . ?
C1 P1 Rh01 111.27(12) . . ?
C3 P1 Rh01 123.88(13) . . ?
C6 P1 Rh01 113.87(12) . . ?
C36 P4 C53 100.56(17) . . ?
C36 P4 C56 107.60(17) . . ?
C53 P4 C56 93.12(17) . . ?
C36 P4 Rh02 111.93(12) . . ?
C53 P4 Rh02 125.07(12) . . ?
C56 P4 Rh02 115.89(11) . . ?
C29 C22 C21 117.3(3) . . ?
C29 C22 P2 111.9(2) . . ?
C21 C22 P2 105.4(2) . . ?
C29 C22 H22 107.3 . . ?
C21 C22 H22 107.3 . . ?
P2 C22 H22 107.3 . . ?
C34 C29 C30 118.6(4) . . ?
C34 C29 C22 119.7(3) . . ?
C30 C29 C22 121.7(4) . . ?
C48 C47 C52 118.2(4) . . ?
C48 C47 C40 119.0(4) . . ?
C52 C47 C40 122.7(4) . . ?
C47 C40 C39 118.0(3) . . ?
C47 C40 P3 113.5(2) . . ?
C39 C40 P3 106.0(2) . . ?
C47 C40 H40 106.2 . . ?
C39 C40 H40 106.2 . . ?
P3 C40 H40 106.2 . . ?
C37 C38 C39 105.4(3) . . ?
C37 C38 H38A 110.7 . . ?
C39 C38 H38A 110.7 . . ?
C37 C38 H38B 110.7 . . ?
C39 C38 H38B 110.7 . . ?
H38A C38 H38B 108.8 . . ?
C44 C43 C42 120.5(4) . . ?
C44 C43 H43 119.7 . . ?
C42 C43 H43 119.7 . . ?
C63 C56 C55 119.8(3) . . ?
C63 C56 P4 111.9(3) . . ?
C55 C56 P4 105.6(2) . . ?
C63 C56 H56 106.2 . . ?
C55 C56 H56 106.2 . . ?
P4 C56 H56 106.2 . . ?
C64 C63 C68 118.0(4) . . ?
C64 C63 C56 123.1(3) . . ?
C68 C63 C56 118.8(3) . . ?
C24 C23 C28 117.3(4) . . ?
C24 C23 C19 120.0(3) . . ?
C28 C23 C19 122.7(3) . . ?
C13 C6 C5 117.5(3) . . ?
C13 C6 P1 113.1(2) . . ?
C5 C6 P1 106.3(3) . . ?
C13 C6 H6 106.4 . . ?
C5 C6 H6 106.4 . . ?
P1 C6 H6 106.4 . . ?
C41 C37 C38 116.8(3) . . ?
C41 C37 P3 117.5(3) . . ?
C38 C37 P3 102.0(2) . . ?
C41 C37 H37 106.5 . . ?
C38 C37 H37 106.5 . . ?
P3 C37 H37 106.5 . . ?
C45 C44 C43 120.1(3) . . ?
C45 C44 H44 120.0 . . ?
C43 C44 H44 120.0 . . ?
C29 C34 C33 121.1(4) . . ?
C29 C34 H34 119.5 . . ?
C33 C34 H34 119.5 . . ?
C42 C41 C46 119.1(3) . . ?
C42 C41 C37 122.2(3) . . ?
C46 C41 C37 118.7(3) . . ?
C38 C39 C40 108.5(3) . . ?
C38 C39 H39A 110.0 . . ?
C40 C39 H39A 110.0 . . ?
C38 C39 H39B 110.0 . . ?
C40 C39 H39B 110.0 . . ?
H39A C39 H39B 108.4 . . ?
C61 C60 C59 119.1(4) . . ?
C61 C60 H60 120.5 . . ?
C59 C60 H60 120.5 . . ?
C58 C57 C62 118.2(4) . . ?
C58 C57 C53 122.4(3) . . ?
C62 C57 C53 119.3(4) . . ?
C23 C19 C20 113.6(3) . . ?
C23 C19 P2 118.9(2) . . ?
C20 C19 P2 105.7(2) . . ?
C23 C19 H19 105.9 . . ?
C20 C19 H19 105.9 . . ?
P2 C19 H19 105.9 . . ?
C36 C35 P3 109.4(3) . . ?
C36 C35 H35A 109.8 . . ?
P3 C35 H35A 109.8 . . ?
C36 C35 H35B 109.8 . . ?
P3 C35 H35B 109.8 . . ?
H35A C35 H35B 108.2 . . ?
C35 C36 P4 109.7(2) . . ?
C35 C36 H36A 109.7 . . ?
P4 C36 H36A 109.7 . . ?
C35 C36 H36B 109.7 . . ?
P4 C36 H36B 109.7 . . ?
H36A C36 H36B 108.2 . . ?
C22 C21 C20 107.0(3) . . ?
C22 C21 H21A 110.3 . . ?
C20 C21 H21A 110.3 . . ?
C22 C21 H21B 110.3 . . ?
C20 C21 H21B 110.3 . . ?
H21A C21 H21B 108.6 . . ?
C57 C53 C54 117.5(3) . . ?
C57 C53 P4 114.9(3) . . ?
C54 C53 P4 104.3(3) . . ?
C57 C53 H53 106.5 . . ?
C54 C53 H53 106.5 . . ?
P4 C53 H53 106.5 . . ?
C23 C24 C25 121.4(4) . . ?
C23 C24 H24 119.3 . . ?
C25 C24 H24 119.3 . . ?
C31 C30 C29 119.7(4) . . ?
C31 C30 H30 120.1 . . ?
C29 C30 H30 120.1 . . ?
C7 C3 C4 114.9(3) . . ?
C7 C3 P1 119.3(3) . . ?
C4 C3 P1 102.5(3) . . ?
C7 C3 H3 106.4 . . ?
C4 C3 H3 106.4 . . ?
P1 C3 H3 106.4 . . ?
C26 C27 C28 119.7(4) . . ?
C26 C27 H27 120.1 . . ?
C28 C27 H27 120.1 . . ?
C65 C64 C63 121.0(4) . . ?
C65 C64 H64 119.5 . . ?
C63 C64 H64 119.5 . . ?
C57 C58 C59 120.6(4) . . ?
C57 C58 H58 119.7 . . ?
C59 C58 H58 119.7 . . ?
C23 C28 C27 121.3(4) . . ?
C23 C28 H28 119.4 . . ?
C27 C28 H28 119.4 . . ?
C21 C20 C19 108.8(3) . . ?
C21 C20 H20A 109.9 . . ?
C19 C20 H20A 109.9 . . ?
C21 C20 H20B 109.9 . . ?
C19 C20 H20B 109.9 . . ?
H20A C20 H20B 108.3 . . ?
C47 C52 C51 120.2(5) . . ?
C47 C52 H52 119.9 . . ?
C51 C52 H52 119.9 . . ?
C41 C42 C43 120.0(4) . . ?
C41 C42 H42 120.0 . . ?
C43 C42 H42 120.0 . . ?
C32 C33 C34 119.8(4) . . ?
C32 C33 H33 120.1 . . ?
C34 C33 H33 120.1 . . ?
C5 C4 C3 106.1(3) . . ?
C5 C4 H4A 110.5 . . ?
C3 C4 H4A 110.5 . . ?
C5 C4 H4B 110.5 . . ?
C3 C4 H4B 110.5 . . ?
H4A C4 H4B 108.7 . . ?
C44 C45 C46 119.7(4) . . ?
C44 C45 H45 120.1 . . ?
C46 C45 H45 120.1 . . ?
C41 C46 C45 120.7(4) . . ?
C41 C46 H46 119.7 . . ?
C45 C46 H46 119.7 . . ?
C2 C1 P1 109.6(2) . . ?
C2 C1 H1A 109.8 . . ?
P1 C1 H1A 109.8 . . ?
C2 C1 H1B 109.8 . . ?
P1 C1 H1B 109.8 . . ?
H1A C1 H1B 108.2 . . ?
C4 C5 C6 107.8(3) . . ?
C4 C5 H5A 110.1 . . ?
C6 C5 H5A 110.1 . . ?
C4 C5 H5B 110.1 . . ?
C6 C5 H5B 110.1 . . ?
H5A C5 H5B 108.5 . . ?
C47 C48 C49 120.9(5) . . ?
C47 C48 H48 119.5 . . ?
C49 C48 H48 119.5 . . ?
C25 C26 C27 119.7(4) . . ?
C25 C26 H26 120.1 . . ?
C27 C26 H26 120.1 . . ?
C8 C7 C12 118.0(4) . . ?
C8 C7 C3 122.4(3) . . ?
C12 C7 C3 119.6(4) . . ?
C55 C54 C53 105.9(3) . . ?
C55 C54 H54A 110.5 . . ?
C53 C54 H54A 110.5 . . ?
C55 C54 H54B 110.5 . . ?
C53 C54 H54B 110.5 . . ?
H54A C54 H54B 108.7 . . ?
C26 C25 C24 120.5(4) . . ?
C26 C25 H25 119.8 . . ?
C24 C25 H25 119.8 . . ?
C60 C61 C62 120.9(4) . . ?
C60 C61 H61 119.5 . . ?
C62 C61 H61 119.5 . . ?
C60 C59 C58 120.5(4) . . ?
C60 C59 H59 119.7 . . ?
C58 C59 H59 119.7 . . ?
C54 C55 C56 106.8(3) . . ?
C54 C55 H55A 110.4 . . ?
C56 C55 H55A 110.4 . . ?
C54 C55 H55B 110.4 . . ?
C56 C55 H55B 110.4 . . ?
H55A C55 H55B 108.6 . . ?
C7 C8 C9 120.8(4) . . ?
C7 C8 H8 119.6 . . ?
C9 C8 H8 119.6 . . ?
C67 C68 C63 120.9(4) . . ?
C67 C68 H68 119.6 . . ?
C63 C68 H68 119.6 . . ?
C31 C32 C33 119.7(4) . . ?
C31 C32 H32 120.1 . . ?
C33 C32 H32 120.1 . . ?
C66 C65 C64 120.2(4) . . ?
C66 C65 H65 119.9 . . ?
C64 C65 H65 119.9 . . ?
C1 C2 P2 110.9(2) . . ?
C1 C2 H2A 109.5 . . ?
P2 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
P2 C2 H2B 109.5 . . ?
H2A C2 H2B 108.0 . . ?
C65 C66 C67 119.9(4) . . ?
C65 C66 H66 120.1 . . ?
C67 C66 H66 120.1 . . ?
C61 C62 C57 120.6(4) . . ?
C61 C62 H62 119.7 . . ?
C57 C62 H62 119.7 . . ?
C11 C12 C7 121.2(6) . . ?
C11 C12 H12 119.4 . . ?
C7 C12 H12 119.4 . . ?
C32 C31 C30 121.0(4) . . ?
C32 C31 H31 119.5 . . ?
C30 C31 H31 119.5 . . ?
C49 C50 C51 120.2(4) . . ?
C49 C50 H50 119.9 . . ?
C51 C50 H50 119.9 . . ?
C68 C67 C66 120.1(4) . . ?
C68 C67 H67 119.9 . . ?
C66 C67 H67 119.9 . . ?
C11 C10 C9 119.7(5) . . ?
C11 C10 H10 120.2 . . ?
C9 C10 H10 120.2 . . ?
C50 C51 C52 120.5(5) . . ?
C50 C51 H51 119.8 . . ?
C52 C51 H51 119.8 . . ?
C10 C9 C8 119.6(5) . . ?
C10 C9 H9 120.2 . . ?
C8 C9 H9 120.2 . . ?
C10 C11 C12 120.7(5) . . ?
C10 C11 H11 119.7 . . ?
C12 C11 H11 119.7 . . ?
C50 C49 C48 120.0(6) . . ?
C50 C49 H49 120.0 . . ?
C48 C49 H49 120.0 . . ?
C13 C14 C15 120.0 . . ?
C13 C14 H14 120.0 . . ?
C15 C14 H14 120.0 . . ?
C14 C13 C18 120.0 . . ?
C14 C13 C6 117.9(2) . . ?
C18 C13 C6 122.0(2) . . ?
C17 C18 C13 120.0 . . ?
C17 C18 H18 120.0 . . ?
C13 C18 H18 120.0 . . ?
C18 C17 C16 120.0 . . ?
C18 C17 H17 120.0 . . ?
C16 C17 H17 120.0 . . ?
C15 C16 C17 120.0 . . ?
C15 C16 H16 120.0 . . ?
C17 C16 H16 120.0 . . ?
C16 C15 C14 120.0 . . ?
C16 C15 H15 120.0 . . ?
C14 C15 H15 120.0 . . ?
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
Rh01 P2 2.1656(9) . ?
Rh01 P1 2.2055(10) . ?
Rh01 Cl03 2.4018(8) . ?
Rh01 Rh02 2.8136(3) . ?
Rh01 H1 1.68(5) . ?
Rh02 P3 2.1559(10) . ?
Rh02 P4 2.1886(8) . ?
Rh02 Cl03 2.3895(9) . ?
Rh02 H1 1.77(5) . ?
P3 C35 1.842(3) . ?
P3 C37 1.854(4) . ?
P3 C40 1.888(3) . ?
P2 C2 1.867(4) . ?
P2 C22 1.869(4) . ?
P2 C19 1.893(3) . ?
P1 C1 1.832(4) . ?
P1 C3 1.858(4) . ?
P1 C6 1.886(4) . ?
P4 C36 1.841(4) . ?
P4 C53 1.879(4) . ?
P4 C56 1.881(3) . ?
C22 C29 1.517(5) . ?
C22 C21 1.519(5) . ?
C22 H22 1.0000 . ?
C29 C34 1.383(5) . ?
C29 C30 1.396(5) . ?
C47 C48 1.389(7) . ?
C47 C52 1.392(6) . ?
C47 C40 1.509(5) . ?
C40 C39 1.544(5) . ?
C40 H40 1.0000 . ?
C38 C37 1.531(5) . ?
C38 C39 1.535(5) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C43 C44 1.384(6) . ?
C43 C42 1.392(5) . ?
C43 H43 0.9500 . ?
C56 C63 1.496(6) . ?
C56 C55 1.529(5) . ?
C56 H56 1.0000 . ?
C63 C64 1.395(5) . ?
C63 C68 1.403(5) . ?
C23 C24 1.394(5) . ?
C23 C28 1.395(5) . ?
C23 C19 1.512(5) . ?
C6 C13 1.526(4) . ?
C6 C5 1.542(5) . ?
C6 H6 1.0000 . ?
C37 C41 1.516(5) . ?
C37 H37 1.0000 . ?
C44 C45 1.372(5) . ?
C44 H44 0.9500 . ?
C34 C33 1.389(5) . ?
C34 H34 0.9500 . ?
C41 C42 1.387(5) . ?
C41 C46 1.392(5) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C60 C61 1.367(7) . ?
C60 C59 1.381(6) . ?
C60 H60 0.9500 . ?
C57 C58 1.383(6) . ?
C57 C62 1.393(5) . ?
C57 C53 1.508(5) . ?
C19 C20 1.542(5) . ?
C19 H19 1.0000 . ?
C35 C36 1.524(5) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C21 C20 1.521(5) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C53 C54 1.542(5) . ?
C53 H53 1.0000 . ?
C24 C25 1.395(6) . ?
C24 H24 0.9500 . ?
C30 C31 1.388(6) . ?
C30 H30 0.9500 . ?
C3 C7 1.505(6) . ?
C3 C4 1.527(5) . ?
C3 H3 1.0000 . ?
C27 C26 1.392(6) . ?
C27 C28 1.398(5) . ?
C27 H27 0.9500 . ?
C64 C65 1.391(6) . ?
C64 H64 0.9500 . ?
C58 C59 1.388(6) . ?
C58 H58 0.9500 . ?
C28 H28 0.9500 . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C52 C51 1.401(6) . ?
C52 H52 0.9500 . ?
C42 H42 0.9500 . ?
C33 C32 1.378(6) . ?
C33 H33 0.9500 . ?
C4 C5 1.515(6) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C45 C46 1.398(5) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
C1 C2 1.521(5) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C48 C49 1.400(6) . ?
C48 H48 0.9500 . ?
C26 C25 1.363(7) . ?
C26 H26 0.9500 . ?
C7 C8 1.389(6) . ?
C7 C12 1.391(6) . ?
C54 C55 1.524(6) . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C25 H25 0.9500 . ?
C61 C62 1.380(6) . ?
C61 H61 0.9500 . ?
C59 H59 0.9500 . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C8 C9 1.394(6) . ?
C8 H8 0.9500 . ?
C68 C67 1.384(6) . ?
C68 H68 0.9500 . ?
C32 C31 1.372(7) . ?
C32 H32 0.9500 . ?
C65 C66 1.377(6) . ?
C65 H65 0.9500 . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C66 C67 1.391(6) . ?
C66 H66 0.9500 . ?
C62 H62 0.9500 . ?
C12 C11 1.373(8) . ?
C12 H12 0.9500 . ?
C31 H31 0.9500 . ?
C50 C49 1.363(9) . ?
C50 C51 1.371(9) . ?
C50 H50 0.9500 . ?
C67 H67 0.9500 . ?
C10 C11 1.369(9) . ?
C10 C9 1.388(7) . ?
C10 H10 0.9500 . ?
C51 H51 0.9500 . ?
C9 H9 0.9500 . ?
C11 H11 0.9500 . ?
C49 H49 0.9500 . ?
C14 C13 1.3900 . ?
C14 C15 1.3900 . ?
C14 H14 0.9500 . ?
C13 C18 1.3900 . ?
C18 C17 1.3900 . ?
C18 H18 0.9500 . ?
C17 C16 1.3900 . ?
C17 H17 0.9500 . ?
C16 C15 1.3900 . ?
C16 H16 0.9500 . ?
C15 H15 0.9500 . ?
