#------------------------------------------------------------------------------
#$Date: 2020-09-22 02:22:25 +0300 (Tue, 22 Sep 2020) $
#$Revision: 256593 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/03/88/4038808.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_4038808
loop_
_publ_author_name
'Rodstein, Ilja'
'Prendes, Daniel Sowa'
'Wickert, Leon'
'Paaßen, Maurice'
'Gessner, Viktoria'
_publ_section_title
;
 Selective Pd-Catalyzed Monoarylation of Small Primary Alkyl Amines
 through Backbone-Modification in Ylide-Functionalized Phosphines (YPhos).
;
_journal_name_full               'The Journal of organic chemistry'
_journal_paper_doi               10.1021/acs.joc.0c01771
_journal_year                    2020
_chemical_formula_sum            'C45 H71 Cl2 O3 P2 Rh'
_chemical_formula_weight         895.76
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                105.9024(5)
_cell_angle_beta                 94.5863(5)
_cell_angle_gamma                113.4053(6)
_cell_formula_units_Z            2
_cell_length_a                   10.92844(7)
_cell_length_b                   12.69071(8)
_cell_length_c                   18.62518(9)
_cell_measurement_reflns_used    25945
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      76.8950
_cell_measurement_theta_min      2.5230
_cell_volume                     2227.08(3)
_computing_cell_refinement       'CrysAlisPro 1.171.40.68a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.68a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.68a (Rigaku OD, 2019)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT-2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0175
_diffrn_reflns_av_unetI/netI     0.0152
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.964
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            28321
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.964
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.930
_diffrn_reflns_theta_min         2.525
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    5.168
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.298
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.68a (Rigaku Oxford Diffraction, 2019)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.336
_exptl_crystal_description       block
_exptl_crystal_F_000             948
_exptl_crystal_size_max          0.209
_exptl_crystal_size_mid          0.187
_exptl_crystal_size_min          0.148
_refine_diff_density_max         2.001
_refine_diff_density_min         -1.431
_refine_diff_density_rms         0.070
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.171
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     481
_refine_ls_number_reflns         9052
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.171
_refine_ls_R_factor_all          0.0303
_refine_ls_R_factor_gt           0.0301
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1219
_refine_ls_wR_factor_ref         0.1225
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8968
_reflns_number_total             9052
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            jo0c01771_si_006.cif
_cod_data_source_block           IR-062_a
_cod_database_code               4038808
_shelx_shelxl_version_number     2018/3
_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.
;
loop_
_space_group_symop_operation_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_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
Rh1 Rh 0.51372(2) 0.44767(2) 0.16131(2) 0.01406(8) Uani 1 1 d . . . . .
P1 P 0.75661(4) 0.64769(4) 0.36442(2) 0.01257(11) Uani 1 1 d . . . . .
P2 P 0.69786(4) 0.63386(4) 0.19567(2) 0.01265(11) Uani 1 1 d . . . . .
O1 O 0.31703(13) 0.55081(13) 0.19393(7) 0.0215(3) Uani 1 1 d . . . . .
O2 O 0.64441(14) 0.36829(12) 0.13677(8) 0.0188(3) Uani 1 1 d . . . . .
O3 O 0.35106(15) 0.27264(13) 0.11901(9) 0.0257(3) Uani 1 1 d . . . . .
C1 C 0.81198(17) 0.67618(15) 0.28416(9) 0.0139(3) Uani 1 1 d . . . . .
C2 C 0.96322(18) 0.74895(17) 0.29112(10) 0.0159(3) Uani 1 1 d . . . . .
C3 C 1.04961(19) 0.69585(17) 0.26388(10) 0.0181(3) Uani 1 1 d . . . . .
C4 C 1.1856(2) 0.77046(19) 0.26559(12) 0.0240(4) Uani 1 1 d . . . . .
H4 H 1.241873 0.733684 0.245750 0.029 Uiso 1 1 calc R U . . .
C5 C 1.2404(2) 0.8967(2) 0.29547(13) 0.0264(4) Uani 1 1 d . . . . .
H5 H 1.332365 0.945530 0.295129 0.032 Uiso 1 1 calc R U . . .
C6 C 1.1585(2) 0.95073(18) 0.32605(11) 0.0235(4) Uani 1 1 d . . . . .
H6 H 1.194847 1.036789 0.348070 0.028 Uiso 1 1 calc R U . . .
C7 C 1.02405(19) 0.87777(17) 0.32392(10) 0.0188(3) Uani 1 1 d . . . . .
H7 H 0.969752 0.915633 0.345440 0.023 Uiso 1 1 calc R U . . .
C8 C 1.0037(2) 0.56001(17) 0.23212(11) 0.0208(4) Uani 1 1 d . . . . .
H8A H 0.905096 0.517473 0.227986 0.031 Uiso 1 1 calc R U . . .
H8B H 1.051574 0.535537 0.266335 0.031 Uiso 1 1 calc R U . . .
H8C H 1.024647 0.538847 0.181427 0.031 Uiso 1 1 calc R U . . .
C9 C 0.90911(18) 0.70972(16) 0.44209(9) 0.0152(3) Uani 1 1 d . . . . .
H9 H 0.975535 0.786023 0.435534 0.018 Uiso 1 1 calc R U . . .
C10 C 0.88808(18) 0.74805(17) 0.52473(10) 0.0177(3) Uani 1 1 d . . . . .
H10A H 0.842252 0.802324 0.529801 0.021 Uiso 1 1 calc R U . . .
H10B H 0.828951 0.674971 0.536312 0.021 Uiso 1 1 calc R U . . .
C11 C 1.02667(19) 0.81472(18) 0.58154(10) 0.0210(4) Uani 1 1 d . . . . .
H11A H 1.082350 0.891236 0.572387 0.025 Uiso 1 1 calc R U . . .
H11B H 1.011714 0.836419 0.634264 0.025 Uiso 1 1 calc R U . . .
C12 C 1.1043(2) 0.73709(19) 0.57407(11) 0.0236(4) Uani 1 1 d . . . . .
H12A H 1.054588 0.665725 0.589741 0.028 Uiso 1 1 calc R U . . .
H12B H 1.195611 0.785405 0.608612 0.028 Uiso 1 1 calc R U . . .
C13 C 1.12061(19) 0.69335(18) 0.49177(11) 0.0218(4) Uani 1 1 d . . . . .
H13A H 1.164756 0.637883 0.487627 0.026 Uiso 1 1 calc R U . . .
H13B H 1.180426 0.764188 0.478365 0.026 Uiso 1 1 calc R U . . .
C14 C 0.98213(19) 0.62671(17) 0.43559(10) 0.0174(3) Uani 1 1 d . . . . .
H14A H 0.924571 0.552497 0.446578 0.021 Uiso 1 1 calc R U . . .
H14B H 0.995690 0.601378 0.382798 0.021 Uiso 1 1 calc R U . . .
C15 C 0.65315(17) 0.72327(16) 0.40798(10) 0.0150(3) Uani 1 1 d . . . . .
H15 H 0.649477 0.713937 0.459469 0.018 Uiso 1 1 calc R U . . .
C16 C 0.50511(18) 0.66697(16) 0.36390(10) 0.0166(3) Uani 1 1 d . . . . .
H16A H 0.504116 0.674378 0.312331 0.020 Uiso 1 1 calc R U . . .
H16B H 0.460531 0.579241 0.357732 0.020 Uiso 1 1 calc R U . . .
C17 C 0.42507(19) 0.73033(18) 0.40584(11) 0.0205(4) Uani 1 1 d . . . . .
H17A H 0.331040 0.694469 0.375280 0.025 Uiso 1 1 calc R U . . .
H17B H 0.419285 0.716971 0.455640 0.025 Uiso 1 1 calc R U . . .
C18 C 0.4940(2) 0.86676(19) 0.41896(12) 0.0265(4) Uani 1 1 d . . . . .
H18A H 0.492570 0.880305 0.369080 0.032 Uiso 1 1 calc R U . . .
H18B H 0.442940 0.906399 0.448000 0.032 Uiso 1 1 calc R U . . .
C19 C 0.6413(2) 0.92391(18) 0.46308(12) 0.0253(4) Uani 1 1 d . . . . .
H19A H 0.642359 0.916862 0.514737 0.030 Uiso 1 1 calc R U . . .
H19B H 0.685248 1.011560 0.468985 0.030 Uiso 1 1 calc R U . . .
C20 C 0.72202(18) 0.86070(16) 0.42125(10) 0.0180(3) Uani 1 1 d . . . . .
H20A H 0.815990 0.896839 0.451955 0.022 Uiso 1 1 calc R U . . .
H20B H 0.727983 0.874098 0.371468 0.022 Uiso 1 1 calc R U . . .
C21 C 0.64520(18) 0.48594(16) 0.34932(10) 0.0156(3) Uani 1 1 d . . . . .
H21 H 0.563645 0.464187 0.309823 0.019 Uiso 1 1 calc R U . . .
C22 C 0.70256(18) 0.39539(16) 0.31448(10) 0.0170(3) Uani 1 1 d . . . . .
H22A H 0.739080 0.412235 0.269807 0.020 Uiso 1 1 calc R U . . .
H22B H 0.778283 0.405366 0.352676 0.020 Uiso 1 1 calc R U . . .
C23 C 0.5901(2) 0.26460(16) 0.28956(11) 0.0212(4) Uani 1 1 d . . . . .
H23A H 0.517772 0.253267 0.248603 0.025 Uiso 1 1 calc R U . . .
H23B H 0.628713 0.207012 0.268590 0.025 Uiso 1 1 calc R U . . .
C24 C 0.5278(2) 0.23635(17) 0.35652(11) 0.0224(4) Uani 1 1 d . . . . .
H24A H 0.597642 0.238753 0.395034 0.027 Uiso 1 1 calc R U . . .
H24B H 0.451750 0.153266 0.338136 0.027 Uiso 1 1 calc R U . . .
C25 C 0.4747(2) 0.32847(18) 0.39354(11) 0.0218(4) Uani 1 1 d . . . . .
H25A H 0.440114 0.311409 0.438626 0.026 Uiso 1 1 calc R U . . .
H25B H 0.397755 0.319542 0.356679 0.026 Uiso 1 1 calc R U . . .
C26 C 0.5871(2) 0.45947(17) 0.41842(10) 0.0198(4) Uani 1 1 d . . . . .
H26A H 0.661057 0.470678 0.458331 0.024 Uiso 1 1 calc R U . . .
H26B H 0.549273 0.517272 0.440322 0.024 Uiso 1 1 calc R U . . .
C27 C 0.80061(18) 0.62544(15) 0.12076(9) 0.0155(3) Uani 1 1 d . . . . .
H27 H 0.856286 0.585021 0.134978 0.019 Uiso 1 1 calc R U . . .
C28 C 0.90507(19) 0.74562(17) 0.11547(10) 0.0190(4) Uani 1 1 d . . . . .
H28A H 0.959836 0.800738 0.167142 0.023 Uiso 1 1 calc R U . . .
H28B H 0.856692 0.786018 0.094872 0.023 Uiso 1 1 calc R U . . .
C29 C 1.0006(2) 0.72169(18) 0.06296(11) 0.0237(4) Uani 1 1 d . . . . .
H29A H 1.064390 0.799526 0.058220 0.028 Uiso 1 1 calc R U . . .
H29B H 1.055253 0.688529 0.086236 0.028 Uiso 1 1 calc R U . . .
C30 C 0.9192(2) 0.63158(18) -0.01662(11) 0.0230(4) Uani 1 1 d . . . . .
H30A H 0.874409 0.669154 -0.042810 0.028 Uiso 1 1 calc R U . . .
H30B H 0.982026 0.612252 -0.047439 0.028 Uiso 1 1 calc R U . . .
C31 C 0.8109(2) 0.51413(18) -0.01062(10) 0.0199(4) Uani 1 1 d . . . . .
H31A H 0.856277 0.473047 0.011644 0.024 Uiso 1 1 calc R U . . .
H31B H 0.757085 0.458325 -0.062338 0.024 Uiso 1 1 calc R U . . .
C32 C 0.71529(19) 0.54156(17) 0.03946(10) 0.0172(3) Uani 1 1 d . . . . .
H32A H 0.644528 0.464731 0.041784 0.021 Uiso 1 1 calc R U . . .
H32B H 0.669213 0.582312 0.017399 0.021 Uiso 1 1 calc R U . . .
C33 C 0.64078(18) 0.75401(15) 0.19212(10) 0.0155(3) Uani 1 1 d . . . . .
H33 H 0.574776 0.748288 0.226748 0.019 Uiso 1 1 calc R U . . .
C34 C 0.74509(19) 0.88863(16) 0.22167(10) 0.0185(3) Uani 1 1 d . . . . .
H34A H 0.807067 0.904625 0.185923 0.022 Uiso 1 1 calc R U . . .
H34B H 0.800749 0.907701 0.272172 0.022 Uiso 1 1 calc R U . . .
C35 C 0.6704(2) 0.96992(17) 0.22876(11) 0.0218(4) Uani 1 1 d . . . . .
H35A H 0.738241 1.056406 0.245900 0.026 Uiso 1 1 calc R U . . .
H35B H 0.614578 0.958678 0.267822 0.026 Uiso 1 1 calc R U . . .
C36 C 0.5776(2) 0.93921(18) 0.15216(12) 0.0248(4) Uani 1 1 d . . . . .
H36A H 0.524722 0.987690 0.159762 0.030 Uiso 1 1 calc R U . . .
H36B H 0.634686 0.961789 0.115200 0.030 Uiso 1 1 calc R U . . .
C37 C 0.4794(2) 0.80409(18) 0.11951(11) 0.0227(4) Uani 1 1 d . . . . .
H37A H 0.426869 0.786292 0.068349 0.027 Uiso 1 1 calc R U . . .
H37B H 0.413952 0.783872 0.153007 0.027 Uiso 1 1 calc R U . . .
C38 C 0.55587(18) 0.72485(16) 0.11292(10) 0.0174(3) Uani 1 1 d . . . . .
H38A H 0.616891 0.740636 0.076691 0.021 Uiso 1 1 calc R U . . .
H38B H 0.489768 0.637704 0.093014 0.021 Uiso 1 1 calc R U . . .
C39 C 0.3976(2) 0.51379(17) 0.18188(10) 0.0177(4) Uani 1 1 d . . . . .
C40 C 0.7291(2) 0.22602(19) 0.08989(13) 0.0294(4) Uani 1 1 d . . . . .
H40A H 0.694746 0.138690 0.062208 0.044 Uiso 1 1 calc R U . . .
H40B H 0.786405 0.247055 0.139609 0.044 Uiso 1 1 calc R U . . .
H40C H 0.783160 0.272622 0.060143 0.044 Uiso 1 1 calc R U . . .
C41 C 0.6109(2) 0.25617(17) 0.10168(10) 0.0200(4) Uani 1 1 d . . . . .
C42 C 0.4781(2) 0.16233(17) 0.07405(11) 0.0243(4) Uani 1 1 d . . . . .
H42 H 0.468368 0.083501 0.046334 0.029 Uiso 1 1 calc R U . . .
C43 C 0.3582(2) 0.17505(18) 0.08388(12) 0.0272(4) Uani 1 1 d . . . . .
C44 C 0.2221(3) 0.0643(2) 0.0506(2) 0.0495(7) Uani 1 1 d . . . . .
H44A H 0.161287 0.083433 0.020324 0.074 Uiso 1 1 calc R U . . .
H44B H 0.181098 0.041124 0.092088 0.074 Uiso 1 1 calc R U . . .
H44C H 0.235612 -0.003297 0.017743 0.074 Uiso 1 1 calc R U . . .
Cl1_1 Cl 0.16521(6) 0.37846(6) 0.30999(3) 0.03892(15) Uani 1 1 d . . . . .
Cl2_1 Cl -0.00447(8) 0.14586(7) 0.18922(5) 0.0610(2) Uani 1 1 d . . . . .
C1_1 C 0.1188(3) 0.2969(2) 0.21012(15) 0.0386(5) Uani 1 1 d . . . . .
H1A_1 H 0.082071 0.338649 0.183009 0.046 Uiso 1 1 calc R U . . .
H1AB_1 H 0.200964 0.296492 0.191454 0.046 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh 0.0927 3.6045 '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
C39 Rh1 O2 178.92(6) . . ?
C39 Rh1 O3 90.73(7) . . ?
O2 Rh1 O3 88.19(6) . . ?
C39 Rh1 P2 92.76(6) . . ?
O2 Rh1 P2 88.31(4) . . ?
O3 Rh1 P2 174.07(4) . . ?
C1 P1 C21 114.64(8) . . ?
C1 P1 C9 107.95(8) . . ?
C21 P1 C9 111.56(8) . . ?
C1 P1 C15 117.45(8) . . ?
C21 P1 C15 101.69(8) . . ?
C9 P1 C15 102.94(8) . . ?
C1 P2 C27 105.58(8) . . ?
C1 P2 C33 112.36(8) . . ?
C27 P2 C33 105.92(8) . . ?
C1 P2 Rh1 115.16(6) . . ?
C27 P2 Rh1 106.81(6) . . ?
C33 P2 Rh1 110.31(6) . . ?
C41 O2 Rh1 126.72(13) . . ?
C43 O3 Rh1 126.15(13) . . ?
C2 C1 P1 118.19(12) . . ?
C2 C1 P2 118.49(12) . . ?
P1 C1 P2 123.14(10) . . ?
C3 C2 C7 116.62(16) . . ?
C3 C2 C1 123.43(16) . . ?
C7 C2 C1 119.91(16) . . ?
C4 C3 C2 119.89(17) . . ?
C4 C3 C8 116.68(17) . . ?
C2 C3 C8 123.43(16) . . ?
C5 C4 C3 121.87(19) . . ?
C4 C5 C6 119.09(18) . . ?
C7 C6 C5 119.31(18) . . ?
C6 C7 C2 123.09(18) . . ?
C14 C9 C10 108.90(14) . . ?
C14 C9 P1 113.54(12) . . ?
C10 C9 P1 116.34(12) . . ?
C11 C10 C9 109.96(14) . . ?
C12 C11 C10 111.95(15) . . ?
C11 C12 C13 111.09(15) . . ?
C12 C13 C14 111.12(15) . . ?
C13 C14 C9 110.68(15) . . ?
C16 C15 C20 110.12(14) . . ?
C16 C15 P1 114.50(12) . . ?
C20 C15 P1 111.41(11) . . ?
C17 C16 C15 111.10(14) . . ?
C18 C17 C16 110.81(16) . . ?
C19 C18 C17 110.81(16) . . ?
C18 C19 C20 110.86(16) . . ?
C19 C20 C15 110.93(15) . . ?
C22 C21 C26 109.87(14) . . ?
C22 C21 P1 115.66(12) . . ?
C26 C21 P1 115.58(12) . . ?
C23 C22 C21 110.07(15) . . ?
C24 C23 C22 111.24(15) . . ?
C23 C24 C25 110.88(15) . . ?
C24 C25 C26 111.32(15) . . ?
C25 C26 C21 109.95(15) . . ?
C28 C27 C32 108.55(14) . . ?
C28 C27 P2 117.90(12) . . ?
C32 C27 P2 114.43(12) . . ?
C27 C28 C29 110.42(15) . . ?
C30 C29 C28 111.28(16) . . ?
C31 C30 C29 110.57(15) . . ?
C30 C31 C32 110.83(15) . . ?
C31 C32 C27 108.72(14) . . ?
C34 C33 C38 109.29(14) . . ?
C34 C33 P2 119.63(12) . . ?
C38 C33 P2 112.60(12) . . ?
C33 C34 C35 109.76(15) . . ?
C34 C35 C36 111.38(15) . . ?
C37 C36 C35 111.52(15) . . ?
C36 C37 C38 111.32(16) . . ?
C37 C38 C33 109.79(14) . . ?
O1 C39 Rh1 176.58(16) . . ?
O2 C41 C42 126.58(18) . . ?
O2 C41 C40 114.59(17) . . ?
C42 C41 C40 118.82(17) . . ?
C41 C42 C43 125.43(18) . . ?
O3 C43 C42 126.18(18) . . ?
O3 C43 C44 114.8(2) . . ?
C42 C43 C44 118.99(19) . . ?
Cl2_1 C1_1 Cl1_1 111.52(13) . . ?
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 C39 1.792(2) . ?
Rh1 O2 2.0637(14) . ?
Rh1 O3 2.0963(14) . ?
Rh1 P2 2.2870(4) . ?
P1 C1 1.7317(17) . ?
P1 C21 1.8488(18) . ?
P1 C9 1.8541(17) . ?
P1 C15 1.8542(17) . ?
P2 C1 1.7929(17) . ?
P2 C27 1.8664(17) . ?
P2 C33 1.8769(18) . ?
O1 C39 1.161(3) . ?
O2 C41 1.274(2) . ?
O3 C43 1.268(3) . ?
C1 C2 1.513(2) . ?
C2 C3 1.413(3) . ?
C2 C7 1.419(3) . ?
C3 C4 1.401(3) . ?
C3 C8 1.510(3) . ?
C4 C5 1.389(3) . ?
C5 C6 1.398(3) . ?
C6 C7 1.381(3) . ?
C9 C14 1.541(2) . ?
C9 C10 1.547(2) . ?
C10 C11 1.538(2) . ?
C11 C12 1.523(3) . ?
C12 C13 1.531(3) . ?
C13 C14 1.531(3) . ?
C15 C16 1.533(2) . ?
C15 C20 1.536(2) . ?
C16 C17 1.532(2) . ?
C17 C18 1.526(3) . ?
C18 C19 1.525(3) . ?
C19 C20 1.536(2) . ?
C21 C22 1.537(2) . ?
C21 C26 1.539(2) . ?
C22 C23 1.532(2) . ?
C23 C24 1.528(3) . ?
C24 C25 1.530(3) . ?
C25 C26 1.534(3) . ?
C27 C28 1.535(2) . ?
C27 C32 1.548(2) . ?
C28 C29 1.546(3) . ?
C29 C30 1.532(3) . ?
C30 C31 1.532(3) . ?
C31 C32 1.533(2) . ?
C33 C34 1.536(2) . ?
C33 C38 1.544(2) . ?
C34 C35 1.536(2) . ?
C35 C36 1.538(3) . ?
C36 C37 1.525(3) . ?
C37 C38 1.530(2) . ?
C40 C41 1.501(3) . ?
C41 C42 1.401(3) . ?
C42 C43 1.402(3) . ?
C43 C44 1.512(3) . ?
Cl1_1 C1_1 1.779(3) . ?
Cl2_1 C1_1 1.759(2) . ?
