#------------------------------------------------------------------------------
#$Date: 2025-10-06 12:11:05 +0200 (Mon 06 de Oct de 2025) $
#$Revision: 302716 $
#$URL: svn://www.crystallography.net/cod/cif/7/06/39/7063912.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_7063912
loop_
_publ_author_name
'Nichols, Brian R.'
'Petersen, Jeffrey L.'
'Dolinar, Brian S.'
'Popp, Brian V.'
_publ_section_title
;
 Primary and secondary coordination sphere Lewis acid interactions in
 β-phosphinoethylborane-ligated rhodium and iridium complexes
;
_journal_issue                   32
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              14073
_journal_page_last               14081
_journal_paper_doi               10.1039/D5NJ01429H
_journal_volume                  49
_journal_year                    2025
_chemical_formula_moiety         'C88 H112 B4 Cl2 P4 Rh2'
_chemical_formula_sum            'C88 H112 B4 Cl2 P4 Rh2'
_chemical_formula_weight         1613.61
_chemical_name_systematic
Dichlorotetrakis{2-[9-borabicyclo[3.3.1]nonan-9-yl]ethyl}(diphenyl)phosphine)}dirhodium
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
_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_update_record
;
2025-06-22 deposited with the CCDC.	2025-07-08 downloaded from the CCDC.
;
_cell_angle_alpha                96.1831(12)
_cell_angle_beta                 100.4360(11)
_cell_angle_gamma                114.9881(11)
_cell_formula_units_Z            2
_cell_length_a                   12.2787(5)
_cell_length_b                   14.2439(6)
_cell_length_c                   25.4195(10)
_cell_measurement_reflns_used    9675
_cell_measurement_temperature    100.(2)
_cell_measurement_theta_max      30.0779
_cell_measurement_theta_min      2.9919
_cell_volume                     3877.4(3)
_computing_cell_refinement       'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_data_collection       'APEX2 V2014.1-7'
_computing_data_reduction        'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100.(2)
_diffrn_detector_area_resol_mean 10.4167
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker AXS D8 Venture fixed-chi'
_diffrn_measurement_method       'omega scan, PHOTON 100 CMOS'
_diffrn_radiation_monochromator  Triumph
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0378
_diffrn_reflns_av_unetI/netI     0.0413
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            88431
_diffrn_reflns_theta_full        30.10
_diffrn_reflns_theta_max         30.10
_diffrn_reflns_theta_min         2.99
_diffrn_source_type              fine-focus
_exptl_absorpt_coefficient_mu    0.623
_exptl_absorpt_correction_T_max  0.92
_exptl_absorpt_correction_T_min  0.84
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2014/3 (Bruker AXS Inc.)'
_exptl_crystal_colour            'light orange'
_exptl_crystal_density_diffrn    1.382
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       parallelopiped
_exptl_crystal_F_000             1688
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: Dichloromethane/pentane'
_exptl_crystal_size_max          0.273
_exptl_crystal_size_mid          0.234
_exptl_crystal_size_min          0.146
_refine_diff_density_max         1.913
_refine_diff_density_min         -0.717
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     901
_refine_ls_number_reflns         22711
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.075
_refine_ls_R_factor_all          0.0592
_refine_ls_R_factor_gt           0.0442
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0342P)²+5.7918P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0890
_refine_ls_wR_factor_ref         0.0942
_reflns_number_gt                18876
_reflns_number_total             22711
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5nj01429h2.cif
_cod_data_source_block           bp35cms
_cod_depositor_comments
'Adding full bibliography for 7063906--7063912.cif.'
_cod_database_code               7063912
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh Rh1 0.61641(2) 0.70406(2) 0.81491(2) 0.01024(4) Uani d . . . 1 . .
Rh Rh2 0.56940(2) 0.76996(2) 0.69205(2) 0.01020(4) Uani d . . . 1 . .
Cl Cl1 0.60907(6) 0.85642(4) 0.78490(2) 0.01700(11) Uani d . . . 1 . .
Cl Cl2 0.46629(5) 0.61655(4) 0.72842(2) 0.01505(10) Uani d . . . 1 . .
P P1 0.76142(5) 0.80661(4) 0.88954(2) 0.01144(11) Uani d . . . 1 . .
P P2 0.59773(5) 0.55063(5) 0.83359(2) 0.01296(11) Uani d . . . 1 . .
P P3 0.65769(6) 0.92545(5) 0.66927(2) 0.01341(11) Uani d . . . 1 . .
P P4 0.53686(5) 0.67149(4) 0.61247(2) 0.01107(10) Uani d . . . 1 . .
C C1 0.7724(2) 0.93980(17) 0.90869(9) 0.0141(4) Uani d . . . 1 . .
H H1A 0.8408 0.9788 0.9421 0.017 Uiso calc U . R 1 . .
H H1B 0.7948 0.9783 0.8791 0.017 Uiso calc U . R 1 . .
C C2 0.6541(2) 0.94145(18) 0.91930(9) 0.0148(4) Uani d . . . 1 . .
H H2A 0.634 0.906 0.9501 0.018 Uiso calc U . R 1 . .
H H2B 0.5848 0.8994 0.8866 0.018 Uiso calc U . R 1 . .
C C3 0.5566(2) 1.0818(2) 0.90571(12) 0.0252(5) Uani d . . . 1 . .
H H3 0.4787 1.0155 0.8878 0.03 Uiso calc U . R 1 . .
C C4 0.6148(3) 1.1389(2) 0.86169(11) 0.0304(6) Uani d . . . 1 . .
H H4A 0.6285 1.0892 0.8366 0.036 Uiso calc U . R 1 . .
H H4B 0.5556 1.159 0.84 0.036 Uiso calc U . R 1 . .
C C5 0.7381(3) 1.2381(2) 0.88637(12) 0.0296(6) Uani d . . . 1 . .
H H5A 0.7729 1.2685 0.8565 0.036 Uiso calc U . R 1 . .
H H5B 0.7229 1.2915 0.9079 0.036 Uiso calc U . R 1 . .
C C6 0.8321(3) 1.2150(2) 0.92299(11) 0.0257(5) Uani d . . . 1 . .
H H6A 0.9064 1.2826 0.941 0.031 Uiso calc U . R 1 . .
H H6B 0.8583 1.1716 0.9002 0.031 Uiso calc U . R 1 . .
C C7 0.7802(2) 1.15589(19) 0.96744(10) 0.0196(5) Uani d . . . 1 . .
H H7 0.8415 1.1355 0.988 0.024 Uiso calc U . R 1 . .
C C8 0.7482(3) 1.2249(2) 1.00753(11) 0.0268(6) Uani d . . . 1 . .
H H8A 0.7925 1.2313 1.0454 0.032 Uiso calc U . R 1 . .
H H8B 0.778 1.2968 0.9996 0.032 Uiso calc U . R 1 . .
C C9 0.6101(3) 1.1793(3) 1.00364(13) 0.0359(7) Uani d . . . 1 . .
H H9A 0.595 1.2308 1.0268 0.043 Uiso calc U . R 1 . .
H H9B 0.584 1.114 1.0185 0.043 Uiso calc U . R 1 . .
C C10 0.5300(3) 1.1534(3) 0.94602(14) 0.0353(7) Uani d . . . 1 . .
H H10A 0.5454 1.2201 0.9332 0.042 Uiso calc U . R 1 . .
H H10B 0.4415 1.1176 0.9465 0.042 Uiso calc U . R 1 . .
C C11 0.7531(2) 0.76658(17) 0.95525(9) 0.0140(4) Uani d . . . 1 . .
C C12 0.8540(2) 0.7786(2) 0.99537(10) 0.0190(5) Uani d . . . 1 . .
H H12 0.9339 0.8044 0.9883 0.023 Uiso calc U . R 1 . .
C C13 0.8390(3) 0.7530(2) 1.04571(10) 0.0263(6) Uani d . . . 1 . .
H H13 0.9086 0.7612 1.0728 0.032 Uiso calc U . R 1 . .
C C14 0.7232(3) 0.7157(2) 1.05667(11) 0.0261(6) Uani d . . . 1 . .
H H14 0.7136 0.6996 1.0914 0.031 Uiso calc U . R 1 . .
C C15 0.6218(2) 0.7020(2) 1.01701(10) 0.0205(5) Uani d . . . 1 . .
H H15 0.5421 0.6757 1.0243 0.025 Uiso calc U . R 1 . .
C C16 0.6360(2) 0.72674(18) 0.96648(10) 0.0155(4) Uani d . . . 1 . .
H H16 0.5656 0.7165 0.9392 0.019 Uiso calc U . R 1 . .
C C17 0.9206(2) 0.84445(18) 0.88393(9) 0.0145(4) Uani d . . . 1 . .
C C18 1.0248(2) 0.9283(2) 0.92011(10) 0.0190(5) Uani d . . . 1 . .
H H18 1.0148 0.9653 0.9509 0.023 Uiso calc U . R 1 . .
C C19 1.1427(2) 0.9584(2) 0.91176(11) 0.0244(5) Uani d . . . 1 . .
H H19 1.2124 1.0158 0.9367 0.029 Uiso calc U . R 1 . .
C C20 1.1591(2) 0.9053(2) 0.86735(12) 0.0281(6) Uani d . . . 1 . .
H H20 1.2398 0.9258 0.8618 0.034 Uiso calc U . R 1 . .
C C21 1.0568(3) 0.8219(2) 0.83100(11) 0.0258(6) Uani d . . . 1 . .
H H21 1.0676 0.7844 0.8007 0.031 Uiso calc U . R 1 . .
C C22 0.9384(2) 0.79281(19) 0.83878(10) 0.0181(5) Uani d . . . 1 . .
H H22 0.8687 0.7371 0.813 0.022 Uiso calc U . R 1 . .
C C23 0.4420(2) 0.46274(19) 0.84121(10) 0.0182(5) Uani d . . . 1 . .
H H23A 0.438 0.3924 0.8433 0.022 Uiso calc U . R 1 . .
H H23B 0.4329 0.4915 0.8765 0.022 Uiso calc U . R 1 . .
C C24 0.3309(2) 0.44724(19) 0.79578(10) 0.0194(5) Uani d . . . 1 . .
H H24A 0.2604 0.379 0.7955 0.023 Uiso calc U . R 1 . .
H H24B 0.3527 0.4399 0.7604 0.023 Uiso calc U . R 1 . .
C C25 0.2899(3) 0.6023(2) 0.85250(11) 0.0282(6) Uani d . . . 1 . .
H H25 0.3633 0.6131 0.8816 0.034 Uiso calc U . R 1 . .
C C26 0.1669(3) 0.5271(2) 0.86598(11) 0.0320(6) Uani d . . . 1 . .
H H26A 0.1694 0.4599 0.8708 0.038 Uiso calc U . R 1 . .
H H26B 0.1611 0.5604 0.9009 0.038 Uiso calc U . R 1 . .
C C27 0.0518(3) 0.5029(2) 0.82134(12) 0.0303(6) Uani d . . . 1 . .
H H27A 0.0421 0.5683 0.8206 0.036 Uiso calc U . R 1 . .
H H27B -0.0223 0.4501 0.8304 0.036 Uiso calc U . R 1 . .
C C28 0.0575(3) 0.4601(3) 0.76427(12) 0.0323(6) Uani d . . . 1 . .
H H28A -0.0141 0.455 0.7367 0.039 Uiso calc U . R 1 . .
H H28B 0.0501 0.3879 0.7628 0.039 Uiso calc U . R 1 . .
C C29 0.1793(2) 0.5306(2) 0.74926(11) 0.0239(5) Uani d . . . 1 . .
H H29 0.1829 0.4953 0.7139 0.029 Uiso calc U . R 1 . .
C C30 0.1869(3) 0.6408(3) 0.74465(13) 0.0358(7) Uani d . . . 1 . .
H H30A 0.2036 0.6559 0.709 0.043 Uiso calc U . R 1 . .
H H30B 0.1052 0.6384 0.745 0.043 Uiso calc U . R 1 . .
C C31 0.2844(3) 0.7295(2) 0.78920(15) 0.0395(8) Uani d . . . 1 . .
H H31A 0.2697 0.7925 0.7879 0.047 Uiso calc U . R 1 . .
H H31B 0.366 0.747 0.7813 0.047 Uiso calc U . R 1 . .
C C32 0.2922(3) 0.7100(2) 0.84663(13) 0.0351(7) Uani d . . . 1 . .
H H32A 0.2218 0.7137 0.8589 0.042 Uiso calc U . R 1 . .
H H32B 0.3698 0.7673 0.8711 0.042 Uiso calc U . R 1 . .
C C33 0.6981(2) 0.53955(17) 0.89326(9) 0.0143(4) Uani d . . . 1 . .
C C34 0.6579(2) 0.50501(18) 0.93852(10) 0.0168(4) Uani d . . . 1 . .
H H34 0.5743 0.4857 0.9395 0.02 Uiso calc U . R 1 . .
C C35 0.7389(2) 0.4984(2) 0.98241(10) 0.0209(5) Uani d . . . 1 . .
H H35 0.7101 0.4746 1.0131 0.025 Uiso calc U . R 1 . .
C C36 0.8602(2) 0.5260(2) 0.98164(11) 0.0228(5) Uani d . . . 1 . .
H H36 0.9151 0.5218 1.0118 0.027 Uiso calc U . R 1 . .
C C37 0.9020(2) 0.5600(2) 0.93668(11) 0.0227(5) Uani d . . . 1 . .
H H37 0.9856 0.5789 0.9359 0.027 Uiso calc U . R 1 . .
C C38 0.8214(2) 0.56636(19) 0.89274(10) 0.0184(5) Uani d . . . 1 . .
H H38 0.8504 0.5892 0.862 0.022 Uiso calc U . R 1 . .
C C39 0.6215(2) 0.46570(18) 0.78141(9) 0.0163(4) Uani d . . . 1 . .
C C40 0.6537(2) 0.4986(2) 0.73443(10) 0.0214(5) Uani d . . . 1 . .
H H40 0.6584 0.5643 0.7277 0.026 Uiso calc U . R 1 . .
C C41 0.6791(3) 0.4362(2) 0.69717(11) 0.0270(6) Uani d . . . 1 . .
H H41 0.7001 0.4594 0.6651 0.032 Uiso calc U . R 1 . .
C C42 0.6738(3) 0.3406(2) 0.70674(11) 0.0264(6) Uani d . . . 1 . .
H H42 0.6925 0.2988 0.6816 0.032 Uiso calc U . R 1 . .
C C43 0.6411(3) 0.3065(2) 0.75310(11) 0.0266(6) Uani d . . . 1 . .
H H43 0.6367 0.2408 0.7597 0.032 Uiso calc U . R 1 . .
C C44 0.6147(3) 0.3680(2) 0.78991(10) 0.0220(5) Uani d . . . 1 . .
H H44 0.5917 0.3435 0.8214 0.026 Uiso calc U . R 1 . .
C C45 0.5550(2) 0.98935(19) 0.65968(10) 0.0182(5) Uani d . . . 1 . .
H H45A 0.6041 1.0633 0.6565 0.022 Uiso calc U . R 1 . .
H H45B 0.4902 0.952 0.625 0.022 Uiso calc U . R 1 . .
C C46 0.4924(2) 0.9895(2) 0.70658(10) 0.0204(5) Uani d . . . 1 . .
H H46A 0.5585 1.0318 0.7403 0.025 Uiso calc U . R 1 . .
H H46B 0.452 0.9158 0.7119 0.025 Uiso calc U . R 1 . .
C C47 0.3110(2) 1.0179(2) 0.74378(11) 0.0227(5) Uani d . . . 1 . .
H H47 0.3497 1.0006 0.7771 0.027 Uiso calc U . R 1 . .
C C48 0.3000(3) 1.1200(2) 0.76038(12) 0.0306(6) Uani d . . . 1 . .
H H48A 0.2432 1.1071 0.7848 0.037 Uiso calc U . R 1 . .
H H48B 0.3826 1.176 0.7815 0.037 Uiso calc U . R 1 . .
C C49 0.2525(3) 1.1605(2) 0.71253(14) 0.0352(7) Uani d . . . 1 . .
H H49A 0.266 1.2333 0.7262 0.042 Uiso calc U . R 1 . .
H H49B 0.1619 1.1155 0.6985 0.042 Uiso calc U . R 1 . .
C C50 0.3141(3) 1.1618(2) 0.66485(13) 0.0327(6) Uani d . . . 1 . .
H H50A 0.3927 1.2281 0.6736 0.039 Uiso calc U . R 1 . .
H H50B 0.2592 1.1642 0.6319 0.039 Uiso calc U . R 1 . .
C C51 0.3433(2) 1.0682(2) 0.65046(11) 0.0249(5) Uani d . . . 1 . .
H H51 0.404 1.0867 0.6272 0.03 Uiso calc U . R 1 . .
C C52 0.2264(3) 0.9627(2) 0.62156(11) 0.0303(6) Uani d . . . 1 . .
H H52A 0.1866 0.9721 0.5864 0.036 Uiso calc U . R 1 . .
H H52B 0.2529 0.9072 0.6133 0.036 Uiso calc U . R 1 . .
C C53 0.1307(3) 0.9249(3) 0.65534(12) 0.0333(7) Uani d . . . 1 . .
H H53A 0.0649 0.8532 0.6366 0.04 Uiso calc U . R 1 . .
H H53B 0.0914 0.9728 0.657 0.04 Uiso calc U . R 1 . .
C C54 0.1858(3) 0.9210(2) 0.71377(11) 0.0303(6) Uani d . . . 1 . .
H H54A 0.1978 0.8564 0.7125 0.036 Uiso calc U . R 1 . .
H H54B 0.1247 0.9146 0.7355 0.036 Uiso calc U . R 1 . .
C C55 0.7930(2) 1.01969(19) 0.72392(10) 0.0193(5) Uani d . . . 1 . .
C C56 0.8177(3) 1.1244(2) 0.74059(12) 0.0302(6) Uani d . . . 1 . .
H H56 0.7645 1.1506 0.723 0.036 Uiso calc U . R 1 . .
C C57 0.9213(4) 1.1909(3) 0.78338(14) 0.0480(10) Uani d . . . 1 . .
H H57 0.9361 1.2615 0.7959 0.058 Uiso calc U . R 1 . .
C C58 1.0025(3) 1.1549(3) 0.80759(13) 0.0458(9) Uani d . . . 1 . .
H H58 1.0751 1.2019 0.8352 0.055 Uiso calc U . R 1 . .
C C59 0.9780(3) 1.0517(3) 0.79180(12) 0.0378(8) Uani d . . . 1 . .
H H59 1.033 1.0264 0.8087 0.045 Uiso calc U . R 1 . .
C C60 0.8728(2) 0.9841(2) 0.75106(11) 0.0271(6) Uani d . . . 1 . .
H H60 0.8546 0.9118 0.7414 0.033 Uiso calc U . R 1 . .
C C61 0.7255(2) 0.94604(17) 0.61017(9) 0.0145(4) Uani d . . . 1 . .
C C62 0.8267(2) 0.92580(19) 0.60950(10) 0.0195(5) Uani d . . . 1 . .
H H62 0.8597 0.9036 0.6397 0.023 Uiso calc U . R 1 . .
C C63 0.8803(2) 0.9374(2) 0.56544(11) 0.0231(5) Uani d . . . 1 . .
H H63 0.949 0.9229 0.5656 0.028 Uiso calc U . R 1 . .
C C64 0.8332(2) 0.9704(2) 0.52126(10) 0.0220(5) Uani d . . . 1 . .
H H64 0.8697 0.9789 0.4911 0.026 Uiso calc U . R 1 . .
C C65 0.7329(2) 0.99071(19) 0.52132(10) 0.0195(5) Uani d . . . 1 . .
H H65 0.7001 1.0127 0.4909 0.023 Uiso calc U . R 1 . .
C C66 0.6795(2) 0.97935(18) 0.56543(10) 0.0170(4) Uani d . . . 1 . .
H H66 0.611 0.9944 0.5651 0.02 Uiso calc U . R 1 . .
C C67 0.4032(2) 0.53813(17) 0.59732(9) 0.0145(4) Uani d . . . 1 . .
H H67A 0.3973 0.4994 0.5613 0.017 Uiso calc U . R 1 . .
H H67B 0.4186 0.4987 0.6252 0.017 Uiso calc U . R 1 . .
C C68 0.2789(2) 0.53991(17) 0.59639(9) 0.0148(4) Uani d . . . 1 . .
H H68A 0.2584 0.5685 0.5643 0.018 Uiso calc U . R 1 . .
H H68B 0.2918 0.5912 0.6293 0.018 Uiso calc U . R 1 . .
C C69 0.0282(2) 0.42437(19) 0.57381(10) 0.0184(5) Uani d . . . 1 . .
H H69 0.0342 0.4966 0.5738 0.022 Uiso calc U . R 1 . .
C C70 -0.0116(2) 0.3629(2) 0.51363(11) 0.0251(5) Uani d . . . 1 . .
H H70A -0.0991 0.3463 0.4978 0.03 Uiso calc U . R 1 . .
H H70B 0.0397 0.4098 0.4924 0.03 Uiso calc U . R 1 . .
C C71 0.0003(3) 0.2596(2) 0.50652(12) 0.0317(6) Uani d . . . 1 . .
H H71A -0.0049 0.2369 0.4676 0.038 Uiso calc U . R 1 . .
H H71B -0.0707 0.2041 0.516 0.038 Uiso calc U . R 1 . .
C C72 0.1217(3) 0.2686(2) 0.54168(13) 0.0317(6) Uani d . . . 1 . .
H H72A 0.19 0.3067 0.5247 0.038 Uiso calc U . R 1 . .
H H72B 0.1139 0.1964 0.541 0.038 Uiso calc U . R 1 . .
C C73 0.1583(2) 0.3263(2) 0.60229(11) 0.0231(5) Uani d . . . 1 . .
H H73 0.2434 0.3374 0.6205 0.028 Uiso calc U . R 1 . .
C C74 0.0662(3) 0.2678(2) 0.63541(12) 0.0260(6) Uani d . . . 1 . .
H H74A 0.0539 0.1938 0.6309 0.031 Uiso calc U . R 1 . .
H H74B 0.1045 0.3013 0.6746 0.031 Uiso calc U . R 1 . .
C C75 -0.0616(2) 0.2658(2) 0.62006(11) 0.0259(6) Uani d . . . 1 . .
H H75A -0.1128 0.21 0.5869 0.031 Uiso calc U . R 1 . .
H H75B -0.1028 0.2462 0.65 0.031 Uiso calc U . R 1 . .
C C76 -0.0583(2) 0.3701(2) 0.60935(11) 0.0221(5) Uani d . . . 1 . .
H H76A -0.0321 0.4193 0.6449 0.027 Uiso calc U . R 1 . .
H H76B -0.1435 0.3568 0.5914 0.027 Uiso calc U . R 1 . .
C C77 0.5034(2) 0.71590(17) 0.54873(9) 0.0145(4) Uani d . . . 1 . .
C C78 0.4133(2) 0.75244(18) 0.54332(10) 0.0173(5) Uani d . . . 1 . .
H H78 0.3764 0.7569 0.5727 0.021 Uiso calc U . R 1 . .
C C79 0.3772(2) 0.7822(2) 0.49545(11) 0.0238(5) Uani d . . . 1 . .
H H79 0.3155 0.8064 0.4922 0.029 Uiso calc U . R 1 . .
C C80 0.4309(3) 0.7767(2) 0.45261(11) 0.0269(6) Uani d . . . 1 . .
H H80 0.4059 0.7967 0.4198 0.032 Uiso calc U . R 1 . .
C C81 0.5209(3) 0.7422(2) 0.45773(10) 0.0252(6) Uani d . . . 1 . .
H H81 0.5582 0.739 0.4284 0.03 Uiso calc U . R 1 . .
C C82 0.5577(2) 0.71202(19) 0.50550(10) 0.0193(5) Uani d . . . 1 . .
H H82 0.62 0.6887 0.5086 0.023 Uiso calc U . R 1 . .
C C83 0.6646(2) 0.63847(17) 0.60872(9) 0.0131(4) Uani d . . . 1 . .
C C84 0.6576(2) 0.56018(19) 0.56796(10) 0.0178(5) Uani d . . . 1 . .
H H84 0.5837 0.522 0.5395 0.021 Uiso calc U . R 1 . .
C C85 0.7576(2) 0.5377(2) 0.56870(11) 0.0225(5) Uani d . . . 1 . .
H H85 0.7519 0.4849 0.5406 0.027 Uiso calc U . R 1 . .
C C86 0.8651(2) 0.5919(2) 0.61011(11) 0.0235(5) Uani d . . . 1 . .
H H86 0.9339 0.5775 0.6101 0.028 Uiso calc U . R 1 . .
C C87 0.8725(2) 0.6673(2) 0.65172(11) 0.0204(5) Uani d . . . 1 . .
H H87 0.9457 0.7035 0.6807 0.024 Uiso calc U . R 1 . .
C C88 0.7728(2) 0.68996(18) 0.65098(10) 0.0158(4) Uani d . . . 1 . .
H H88 0.7784 0.7415 0.6798 0.019 Uiso calc U . R 1 . .
B B1 0.6614(2) 1.0541(2) 0.93280(11) 0.0159(5) Uani d . . . 1 . .
B B2 0.2830(3) 0.5343(2) 0.79759(12) 0.0200(5) Uani d . . . 1 . .
B B3 0.3934(3) 1.0322(2) 0.70170(12) 0.0195(5) Uani d . . . 1 . .
B B4 0.1621(2) 0.4346(2) 0.59437(11) 0.0168(5) Uani d . . . 1 . .
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'
B B 0.0013 0.0007 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
P1 Rh1 P2 . . 97.25(2) ?
P1 Rh1 Cl2 . . 171.34(2) ?
P2 Rh1 Cl2 . . 91.14(2) ?
P1 Rh1 Cl1 . . 90.65(2) ?
P2 Rh1 Cl1 . . 171.81(2) ?
Cl2 Rh1 Cl1 . . 81.045(19) ?
P4 Rh2 P3 . . 97.10(2) ?
P4 Rh2 Cl2 . . 91.65(2) ?
P3 Rh2 Cl2 . . 170.57(2) ?
P4 Rh2 Cl1 . . 171.22(2) ?
P3 Rh2 Cl1 . . 90.31(2) ?
Cl2 Rh2 Cl1 . . 81.270(19) ?
Rh2 Cl1 Rh1 . . 89.169(19) ?
Rh2 Cl2 Rh1 . . 89.328(19) ?
C11 P1 C17 . . 106.50(10) ?
C11 P1 C1 . . 98.69(10) ?
C17 P1 C1 . . 99.32(11) ?
C11 P1 Rh1 . . 119.59(8) ?
C17 P1 Rh1 . . 114.38(8) ?
C1 P1 Rh1 . . 115.48(8) ?
C33 P2 C39 . . 97.13(10) ?
C33 P2 C23 . . 101.04(11) ?
C39 P2 C23 . . 102.62(11) ?
C33 P2 Rh1 . . 123.18(8) ?
C39 P2 Rh1 . . 115.69(8) ?
C23 P2 Rh1 . . 113.95(8) ?
C55 P3 C61 . . 99.76(11) ?
C55 P3 C45 . . 104.51(12) ?
C61 P3 C45 . . 102.49(11) ?
C55 P3 Rh2 . . 110.99(8) ?
C61 P3 Rh2 . . 123.91(7) ?
C45 P3 Rh2 . . 112.91(9) ?
C83 P4 C77 . . 105.64(10) ?
C83 P4 C67 . . 101.38(10) ?
C77 P4 C67 . . 100.31(10) ?
C83 P4 Rh2 . . 112.25(8) ?
C77 P4 Rh2 . . 120.27(8) ?
C67 P4 Rh2 . . 114.73(8) ?
C2 C1 P1 . . 115.23(15) ?
C1 C2 B1 . . 115.18(19) ?
C10 C3 C4 . . 112.3(2) ?
C10 C3 B1 . . 113.3(2) ?
C4 C3 B1 . . 100.2(2) ?
C5 C4 C3 . . 112.8(2) ?
C6 C5 C4 . . 112.3(2) ?
C5 C6 C7 . . 112.8(2) ?
C6 C7 C8 . . 111.2(2) ?
C6 C7 B1 . . 102.8(2) ?
C8 C7 B1 . . 112.2(2) ?
C9 C8 C7 . . 112.8(2) ?
C8 C9 C10 . . 114.2(3) ?
C9 C10 C3 . . 112.3(2) ?
C12 C11 C16 . . 118.5(2) ?
C12 C11 P1 . . 125.09(18) ?
C16 C11 P1 . . 116.34(17) ?
C11 C12 C13 . . 120.5(2) ?
C14 C13 C12 . . 120.4(2) ?
C15 C14 C13 . . 119.7(2) ?
C14 C15 C16 . . 120.1(2) ?
C15 C16 C11 . . 120.7(2) ?
C22 C17 C18 . . 118.0(2) ?
C22 C17 P1 . . 118.44(18) ?
C18 C17 P1 . . 123.34(18) ?
C19 C18 C17 . . 121.0(2) ?
C20 C19 C18 . . 120.3(3) ?
C19 C20 C21 . . 119.5(2) ?
C20 C21 C22 . . 120.2(2) ?
C21 C22 C17 . . 120.9(2) ?
C24 C23 P2 . . 116.25(17) ?
C23 C24 B2 . . 119.0(2) ?
C32 C25 C26 . . 110.9(2) ?
C32 C25 B2 . . 114.0(2) ?
C26 C25 B2 . . 101.0(2) ?
C27 C26 C25 . . 112.6(2) ?
C26 C27 C28 . . 113.0(2) ?
C27 C28 C29 . . 113.0(2) ?
C30 C29 C28 . . 110.5(2) ?
C30 C29 B2 . . 113.8(2) ?
C28 C29 B2 . . 102.7(2) ?
C31 C30 C29 . . 114.1(2) ?
C30 C31 C32 . . 116.5(3) ?
C31 C32 C25 . . 114.0(2) ?
C34 C33 C38 . . 118.3(2) ?
C34 C33 P2 . . 123.59(18) ?
C38 C33 P2 . . 118.11(17) ?
C33 C34 C35 . . 120.7(2) ?
C36 C35 C34 . . 120.5(2) ?
C35 C36 C37 . . 119.7(2) ?
C36 C37 C38 . . 120.0(2) ?
C37 C38 C33 . . 120.8(2) ?
C40 C39 C44 . . 118.0(2) ?
C40 C39 P2 . . 121.67(18) ?
C44 C39 P2 . . 120.20(18) ?
C39 C40 C41 . . 120.9(2) ?
C42 C41 C40 . . 120.2(2) ?
C43 C42 C41 . . 119.6(2) ?
C42 C43 C44 . . 120.2(2) ?
C43 C44 C39 . . 121.1(2) ?
C46 C45 P3 . . 112.97(16) ?
C45 C46 B3 . . 118.8(2) ?
C48 C47 C54 . . 114.0(2) ?
C48 C47 B3 . . 110.5(2) ?
C54 C47 B3 . . 104.2(2) ?
C49 C48 C47 . . 114.5(2) ?
C48 C49 C50 . . 114.7(2) ?
C49 C50 C51 . . 116.7(2) ?
C50 C51 C52 . . 113.7(2) ?
C50 C51 B3 . . 113.7(2) ?
C52 C51 B3 . . 99.4(2) ?
C53 C52 C51 . . 113.7(2) ?
C52 C53 C54 . . 113.6(2) ?
C53 C54 C47 . . 115.3(2) ?
C56 C55 C60 . . 118.4(2) ?
C56 C55 P3 . . 122.9(2) ?
C60 C55 P3 . . 118.7(2) ?
C55 C56 C57 . . 119.6(3) ?
C58 C57 C56 . . 120.7(3) ?
C59 C58 C57 . . 119.9(3) ?
C58 C59 C60 . . 119.7(3) ?
C59 C60 C55 . . 121.6(3) ?
C62 C61 C66 . . 118.2(2) ?
C62 C61 P3 . . 118.42(18) ?
C66 C61 P3 . . 123.39(18) ?
C63 C62 C61 . . 121.2(2) ?
C64 C63 C62 . . 119.8(2) ?
C65 C64 C63 . . 119.7(2) ?
C64 C65 C66 . . 120.6(2) ?
C65 C66 C61 . . 120.6(2) ?
C68 C67 P4 . . 113.71(16) ?
C67 C68 B4 . . 119.37(19) ?
C76 C69 C70 . . 114.7(2) ?
C76 C69 B4 . . 112.6(2) ?
C70 C69 B4 . . 102.2(2) ?
C71 C70 C69 . . 115.0(2) ?
C70 C71 C72 . . 113.9(2) ?
C71 C72 C73 . . 115.3(2) ?
C74 C73 C72 . . 113.7(2) ?
C74 C73 B4 . . 113.6(2) ?
C72 C73 B4 . . 100.3(2) ?
C75 C74 C73 . . 115.8(2) ?
C76 C75 C74 . . 114.6(2) ?
C75 C76 C69 . . 114.9(2) ?
C82 C77 C78 . . 118.5(2) ?
C82 C77 P4 . . 124.82(19) ?
C78 C77 P4 . . 116.65(17) ?
C79 C78 C77 . . 120.7(2) ?
C80 C79 C78 . . 120.1(2) ?
C81 C80 C79 . . 119.7(2) ?
C80 C81 C82 . . 120.7(2) ?
C77 C82 C81 . . 120.3(2) ?
C88 C83 C84 . . 118.0(2) ?
C88 C83 P4 . . 117.84(17) ?
C84 C83 P4 . . 124.06(18) ?
C85 C84 C83 . . 120.7(2) ?
C86 C85 C84 . . 120.3(2) ?
C85 C86 C87 . . 119.9(2) ?
C86 C87 C88 . . 119.9(2) ?
C87 C88 C83 . . 121.2(2) ?
C2 B1 C3 . . 123.0(2) ?
C2 B1 C7 . . 124.8(2) ?
C3 B1 C7 . . 111.6(2) ?
C25 B2 C29 . . 110.6(2) ?
C25 B2 C24 . . 123.3(2) ?
C29 B2 C24 . . 122.0(2) ?
C46 B3 C51 . . 125.8(2) ?
C46 B3 C47 . . 121.0(2) ?
C51 B3 C47 . . 111.8(2) ?
C73 B4 C68 . . 127.4(2) ?
C73 B4 C69 . . 111.7(2) ?
C68 B4 C69 . . 120.2(2) ?
P1 C1 H1A . . 108.4 ?
P1 C1 H1B . . 108.5 ?
H1A C1 H1B . . 107.5 ?
H1A C1 C2 . . 108.5 ?
H1B C1 C2 . . 108.5 ?
C1 C2 H2A . . 108.5 ?
C1 C2 H2B . . 108.5 ?
H2A C2 H2B . . 107.4 ?
H2A C2 B1 . . 108.5 ?
H2B C2 B1 . . 108.5 ?
H3 C3 C4 . . 110.2 ?
H3 C3 C10 . . 110.1 ?
H3 C3 B1 . . 110.2 ?
C3 C4 H4A . . 109.0 ?
C3 C4 H4B . . 109.0 ?
H4A C4 H4B . . 107.9 ?
H4A C4 C5 . . 109.0 ?
H4B C4 C5 . . 109.0 ?
C4 C5 H5A . . 109.2 ?
C4 C5 H5B . . 109.2 ?
H5A C5 H5B . . 107.9 ?
H5A C5 C6 . . 109.1 ?
H5B C5 C6 . . 109.1 ?
C5 C6 H6A . . 109.0 ?
C5 C6 H6B . . 109.0 ?
H6A C6 H6B . . 107.8 ?
H6A C6 C7 . . 109.0 ?
H6B C6 C7 . . 109.1 ?
C6 C7 H7 . . 110.2 ?
H7 C7 C8 . . 110.1 ?
H7 C7 B1 . . 110.2 ?
C7 C8 H8A . . 109.1 ?
C7 C8 H8B . . 109.1 ?
H8A C8 H8B . . 107.8 ?
H8A C8 C9 . . 109.0 ?
H8B C8 C9 . . 109.1 ?
C8 C9 H9A . . 108.7 ?
C8 C9 H9B . . 108.8 ?
H9A C9 H9B . . 107.7 ?
H9A C9 C10 . . 108.6 ?
H9B C9 C10 . . 108.7 ?
C3 C10 H10A . . 109.1 ?
C3 C10 H10B . . 109.2 ?
C9 C10 H10A . . 109.2 ?
C9 C10 H10B . . 109.1 ?
H10A C10 H10B . . 107.9 ?
C11 C12 H12 . . 119.7 ?
H12 C12 C13 . . 119.8 ?
C12 C13 H13 . . 119.8 ?
H13 C13 C14 . . 119.7 ?
C13 C14 H14 . . 120.2 ?
H14 C14 C15 . . 120.1 ?
C14 C15 H15 . . 119.9 ?
H15 C15 C16 . . 120.0 ?
C11 C16 H16 . . 119.6 ?
C15 C16 H16 . . 119.7 ?
C17 C18 H18 . . 119.5 ?
H18 C18 C19 . . 119.5 ?
C18 C19 H19 . . 119.8 ?
H19 C19 C20 . . 119.9 ?
C19 C20 H20 . . 120.2 ?
H20 C20 C21 . . 120.3 ?
C20 C21 H21 . . 119.9 ?
H21 C21 C22 . . 119.9 ?
C17 C22 H22 . . 119.5 ?
C21 C22 H22 . . 119.5 ?
P2 C23 H23A . . 108.2 ?
P2 C23 H23B . . 108.2 ?
H23A C23 H23B . . 107.4 ?
H23A C23 C24 . . 108.2 ?
H23B C23 C24 . . 108.3 ?
C23 C24 H24A . . 107.6 ?
C23 C24 H24B . . 107.6 ?
H24A C24 H24B . . 107.0 ?
H24A C24 B2 . . 107.6 ?
H24B C24 B2 . . 107.5 ?
H25 C25 C26 . . 110.2 ?
H25 C25 C32 . . 110.2 ?
H25 C25 B2 . . 110.2 ?
C25 C26 H26A . . 109.0 ?
C25 C26 H26B . . 109.1 ?
H26A C26 H26B . . 107.9 ?
H26A C26 C27 . . 109.1 ?
H26B C26 C27 . . 109.1 ?
C26 C27 H27A . . 109.0 ?
C26 C27 H27B . . 109.0 ?
H27A C27 H27B . . 107.8 ?
H27A C27 C28 . . 108.9 ?
H27B C27 C28 . . 109.0 ?
C27 C28 H28A . . 109.0 ?
C27 C28 H28B . . 109.0 ?
H28A C28 H28B . . 107.8 ?
H28A C28 C29 . . 109.0 ?
H28B C28 C29 . . 109.0 ?
C28 C29 H29 . . 109.8 ?
H29 C29 C30 . . 109.9 ?
H29 C29 B2 . . 109.8 ?
C29 C30 H30A . . 108.8 ?
C29 C30 H30B . . 108.8 ?
H30A C30 H30B . . 107.5 ?
H30A C30 C31 . . 108.7 ?
H30B C30 C31 . . 108.7 ?
C30 C31 H31A . . 108.2 ?
C30 C31 H31B . . 108.2 ?
H31A C31 H31B . . 107.3 ?
H31A C31 C32 . . 108.2 ?
H31B C31 C32 . . 108.2 ?
C25 C32 H32A . . 108.8 ?
C25 C32 H32B . . 108.7 ?
C31 C32 H32A . . 108.7 ?
C31 C32 H32B . . 108.7 ?
H32A C32 H32B . . 107.7 ?
C33 C34 H34 . . 119.6 ?
H34 C34 C35 . . 119.7 ?
C34 C35 H35 . . 119.8 ?
H35 C35 C36 . . 119.7 ?
C35 C36 H36 . . 120.1 ?
H36 C36 C37 . . 120.2 ?
C36 C37 H37 . . 120.1 ?
H37 C37 C38 . . 120.0 ?
C33 C38 H38 . . 119.6 ?
C37 C38 H38 . . 119.6 ?
C39 C40 H40 . . 119.6 ?
H40 C40 C41 . . 119.7 ?
C40 C41 H41 . . 119.8 ?
H41 C41 C42 . . 119.9 ?
C41 C42 H42 . . 120.1 ?
H42 C42 C43 . . 120.3 ?
C42 C43 H43 . . 119.9 ?
H43 C43 C44 . . 119.9 ?
C39 C44 H44 . . 119.5 ?
C43 C44 H44 . . 119.4 ?
P3 C45 H45A . . 109.0 ?
P3 C45 H45B . . 109.0 ?
H45A C45 H45B . . 107.8 ?
H45A C45 C46 . . 109.0 ?
H45B C45 C46 . . 109.1 ?
C45 C46 H46A . . 107.7 ?
C45 C46 H46B . . 107.7 ?
H46A C46 H46B . . 107.1 ?
H46A C46 B3 . . 107.5 ?
H46B C46 B3 . . 107.6 ?
H47 C47 C48 . . 109.3 ?
H47 C47 C54 . . 109.3 ?
H47 C47 B3 . . 109.3 ?
C47 C48 H48A . . 108.6 ?
C47 C48 H48B . . 108.7 ?
H48A C48 H48B . . 107.6 ?
H48A C48 C49 . . 108.5 ?
H48B C48 C49 . . 108.7 ?
C48 C49 H49A . . 108.6 ?
C48 C49 H49B . . 108.6 ?
H49A C49 H49B . . 107.6 ?
H49A C49 C50 . . 108.6 ?
H49B C49 C50 . . 108.6 ?
C49 C50 H50A . . 108.1 ?
C49 C50 H50B . . 108.1 ?
H50A C50 H50B . . 107.3 ?
H50A C50 C51 . . 108.1 ?
H50B C50 C51 . . 108.1 ?
C50 C51 H51 . . 109.9 ?
H51 C51 C52 . . 109.8 ?
H51 C51 B3 . . 109.9 ?
C51 C52 H52A . . 108.8 ?
C51 C52 H52B . . 108.7 ?
H52A C52 H52B . . 107.7 ?
H52A C52 C53 . . 108.8 ?
H52B C52 C53 . . 108.9 ?
C52 C53 H53A . . 108.9 ?
C52 C53 H53B . . 108.8 ?
H53A C53 H53B . . 107.7 ?
H53A C53 C54 . . 108.7 ?
H53B C53 C54 . . 108.9 ?
C47 C54 H54A . . 108.5 ?
C47 C54 H54B . . 108.5 ?
C53 C54 H54A . . 108.5 ?
C53 C54 H54B . . 108.4 ?
H54A C54 H54B . . 107.5 ?
C55 C56 H56 . . 120.1 ?
H56 C56 C57 . . 120.2 ?
C56 C57 H57 . . 119.7 ?
H57 C57 C58 . . 119.6 ?
C57 C58 H58 . . 120.0 ?
H58 C58 C59 . . 120.1 ?
C58 C59 H59 . . 120.1 ?
H59 C59 C60 . . 120.1 ?
C55 C60 H60 . . 119.2 ?
C59 C60 H60 . . 119.2 ?
C61 C62 H62 . . 119.4 ?
H62 C62 C63 . . 119.4 ?
C62 C63 H63 . . 120.1 ?
H63 C63 C64 . . 120.1 ?
C63 C64 H64 . . 120.2 ?
H64 C64 C65 . . 120.1 ?
C64 C65 H65 . . 119.7 ?
H65 C65 C66 . . 119.8 ?
C61 C66 H66 . . 119.8 ?
C65 C66 H66 . . 119.6 ?
P4 C67 H67A . . 108.8 ?
P4 C67 H67B . . 108.8 ?
H67A C67 H67B . . 107.7 ?
H67A C67 C68 . . 108.8 ?
H67B C67 C68 . . 108.8 ?
C67 C68 H68A . . 107.5 ?
C67 C68 H68B . . 107.5 ?
H68A C68 H68B . . 106.9 ?
H68A C68 B4 . . 107.5 ?
H68B C68 B4 . . 107.5 ?
H69 C69 C70 . . 109.0 ?
H69 C69 C76 . . 109.1 ?
H69 C69 B4 . . 109.1 ?
C69 C70 H70A . . 108.6 ?
C69 C70 H70B . . 108.5 ?
H70A C70 H70B . . 107.5 ?
H70A C70 C71 . . 108.5 ?
H70B C70 C71 . . 108.5 ?
C70 C71 H71A . . 108.7 ?
C70 C71 H71B . . 108.7 ?
H71A C71 H71B . . 107.7 ?
H71A C71 C72 . . 108.8 ?
H71B C71 C72 . . 108.8 ?
C71 C72 H72A . . 108.4 ?
C71 C72 H72B . . 108.5 ?
H72A C72 H72B . . 107.6 ?
H72A C72 C73 . . 108.4 ?
H72B C72 C73 . . 108.4 ?
C72 C73 H73 . . 109.7 ?
H73 C73 C74 . . 109.6 ?
H73 C73 B4 . . 109.6 ?
C73 C74 H74A . . 108.3 ?
C73 C74 H74B . . 108.4 ?
H74A C74 H74B . . 107.4 ?
H74A C74 C75 . . 108.3 ?
H74B C74 C75 . . 108.4 ?
C74 C75 H75A . . 108.6 ?
C74 C75 H75B . . 108.6 ?
H75A C75 H75B . . 107.6 ?
H75A C75 C76 . . 108.6 ?
H75B C75 C76 . . 108.6 ?
C69 C76 H76A . . 108.5 ?
C69 C76 H76B . . 108.6 ?
C75 C76 H76A . . 108.5 ?
C75 C76 H76B . . 108.5 ?
H76A C76 H76B . . 107.6 ?
C77 C78 H78 . . 119.6 ?
H78 C78 C79 . . 119.7 ?
C78 C79 H79 . . 119.9 ?
H79 C79 C80 . . 120.0 ?
C79 C80 H80 . . 120.1 ?
H80 C80 C81 . . 120.2 ?
C80 C81 H81 . . 119.6 ?
H81 C81 C82 . . 119.7 ?
C77 C82 H82 . . 119.8 ?
C81 C82 H82 . . 119.9 ?
C83 C84 H84 . . 119.6 ?
H84 C84 C85 . . 119.7 ?
C84 C85 H85 . . 119.9 ?
H85 C85 C86 . . 119.9 ?
C85 C86 H86 . . 120.1 ?
H86 C86 C87 . . 120.0 ?
C86 C87 H87 . . 120.0 ?
H87 C87 C88 . . 120.1 ?
C83 C88 H88 . . 119.4 ?
C87 C88 H88 . . 119.4 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Rh1 P1 . 2.2101(6) ?
Rh1 P2 . 2.2121(6) ?
Rh1 Cl2 . 2.4053(6) ?
Rh1 Cl1 . 2.4077(6) ?
Rh2 P4 . 2.2004(6) ?
Rh2 P3 . 2.2115(6) ?
Rh2 Cl2 . 2.3988(6) ?
Rh2 Cl1 . 2.4032(6) ?
P1 C11 . 1.828(2) ?
P1 C17 . 1.832(2) ?
P1 C1 . 1.848(2) ?
P2 C33 . 1.839(2) ?
P2 C39 . 1.844(2) ?
P2 C23 . 1.851(2) ?
P3 C55 . 1.836(3) ?
P3 C61 . 1.838(2) ?
P3 C45 . 1.839(2) ?
P4 C83 . 1.833(2) ?
P4 C77 . 1.842(2) ?
P4 C67 . 1.852(2) ?
C1 C2 . 1.534(3) ?
C2 B1 . 1.565(3) ?
C3 C10 . 1.541(4) ?
C3 C4 . 1.556(4) ?
C3 B1 . 1.567(4) ?
C4 C5 . 1.530(4) ?
C5 C6 . 1.517(4) ?
C6 C7 . 1.550(4) ?
C7 C8 . 1.554(3) ?
C7 B1 . 1.574(4) ?
C8 C9 . 1.517(4) ?
C9 C10 . 1.518(5) ?
C11 C12 . 1.389(3) ?
C11 C16 . 1.401(3) ?
C12 C13 . 1.390(3) ?
C13 C14 . 1.385(4) ?
C14 C15 . 1.379(4) ?
C15 C16 . 1.390(3) ?
C17 C22 . 1.397(3) ?
C17 C18 . 1.399(3) ?
C18 C19 . 1.390(3) ?
C19 C20 . 1.384(4) ?
C20 C21 . 1.388(4) ?
C21 C22 . 1.392(3) ?
C23 C24 . 1.537(3) ?
C24 B2 . 1.582(4) ?
C25 C32 . 1.546(4) ?
C25 C26 . 1.564(4) ?
C25 B2 . 1.578(4) ?
C26 C27 . 1.526(4) ?
C27 C28 . 1.537(4) ?
C28 C29 . 1.553(4) ?
C29 C30 . 1.552(4) ?
C29 B2 . 1.580(4) ?
C30 C31 . 1.495(5) ?
C31 C32 . 1.509(5) ?
C33 C34 . 1.390(3) ?
C33 C38 . 1.399(3) ?
C34 C35 . 1.394(3) ?
C35 C36 . 1.375(4) ?
C36 C37 . 1.388(4) ?
C37 C38 . 1.390(3) ?
C39 C40 . 1.392(3) ?
C39 C44 . 1.401(3) ?
C40 C41 . 1.394(4) ?
C41 C42 . 1.386(4) ?
C42 C43 . 1.384(4) ?
C43 C44 . 1.386(4) ?
C45 C46 . 1.532(3) ?
C46 B3 . 1.565(4) ?
C47 C48 . 1.539(4) ?
C47 C54 . 1.551(4) ?
C47 B3 . 1.573(4) ?
C48 C49 . 1.526(4) ?
C49 C50 . 1.538(4) ?
C50 C51 . 1.544(4) ?
C51 C52 . 1.554(4) ?
C51 B3 . 1.568(4) ?
C52 C53 . 1.530(4) ?
C53 C54 . 1.533(4) ?
C55 C56 . 1.389(4) ?
C55 C60 . 1.394(4) ?
C56 C57 . 1.399(5) ?
C57 C58 . 1.382(6) ?
C58 C59 . 1.367(5) ?
C59 C60 . 1.385(4) ?
C61 C62 . 1.392(3) ?
C61 C66 . 1.396(3) ?
C62 C63 . 1.389(3) ?
C63 C64 . 1.387(4) ?
C64 C65 . 1.378(4) ?
C65 C66 . 1.389(3) ?
C67 C68 . 1.534(3) ?
C68 B4 . 1.564(3) ?
C69 C76 . 1.532(3) ?
C69 C70 . 1.557(4) ?
C69 B4 . 1.570(4) ?
C70 C71 . 1.532(4) ?
C71 C72 . 1.539(4) ?
C72 C73 . 1.554(4) ?
C73 C74 . 1.543(4) ?
C73 B4 . 1.560(4) ?
C74 C75 . 1.534(4) ?
C75 C76 . 1.524(4) ?
C77 C82 . 1.392(3) ?
C77 C78 . 1.401(3) ?
C78 C79 . 1.390(3) ?
C79 C80 . 1.383(4) ?
C80 C81 . 1.379(4) ?
C81 C82 . 1.394(4) ?
C83 C88 . 1.395(3) ?
C83 C84 . 1.400(3) ?
C84 C85 . 1.391(3) ?
C85 C86 . 1.381(4) ?
C86 C87 . 1.385(4) ?
C87 C88 . 1.389(3) ?
C1 H1A . 0.990 ?
C1 H1B . 0.989 ?
C2 H2A . 0.989 ?
C2 H2B . 0.990 ?
C3 H3 . 1.000 ?
C4 H4A . 0.989 ?
C4 H4B . 0.989 ?
C5 H5A . 0.989 ?
C5 H5B . 0.990 ?
C6 H6A . 0.990 ?
C6 H6B . 0.990 ?
C7 H7 . 0.999 ?
C8 H8A . 0.990 ?
C8 H8B . 0.989 ?
C9 H9A . 0.990 ?
C9 H9B . 0.989 ?
C10 H10A . 0.991 ?
C10 H10B . 0.989 ?
C12 H12 . 0.950 ?
C13 H13 . 0.950 ?
C14 H14 . 0.951 ?
C15 H15 . 0.950 ?
C16 H16 . 0.951 ?
C18 H18 . 0.952 ?
C19 H19 . 0.950 ?
C20 H20 . 0.950 ?
C21 H21 . 0.951 ?
C22 H22 . 0.950 ?
C23 H23A . 0.990 ?
C23 H23B . 0.990 ?
C24 H24A . 0.990 ?
C24 H24B . 0.991 ?
C25 H25 . 1.000 ?
C26 H26A . 0.990 ?
C26 H26B . 0.989 ?
C27 H27A . 0.989 ?
C27 H27B . 0.991 ?
C28 H28A . 0.991 ?
C28 H28B . 0.989 ?
C29 H29 . 0.999 ?
C30 H30A . 0.991 ?
C30 H30B . 0.991 ?
C31 H31A . 0.990 ?
C31 H31B . 0.989 ?
C32 H32A . 0.990 ?
C32 H32B . 0.990 ?
C34 H34 . 0.950 ?
C35 H35 . 0.951 ?
C36 H36 . 0.950 ?
C37 H37 . 0.950 ?
C38 H38 . 0.949 ?
C40 H40 . 0.949 ?
C41 H41 . 0.950 ?
C42 H42 . 0.950 ?
C43 H43 . 0.949 ?
C44 H44 . 0.949 ?
C45 H45A . 0.989 ?
C45 H45B . 0.990 ?
C46 H46A . 0.990 ?
C46 H46B . 0.991 ?
C47 H47 . 1.001 ?
C48 H48A . 0.989 ?
C48 H48B . 0.990 ?
C49 H49A . 0.990 ?
C49 H49B . 0.990 ?
C50 H50A . 0.990 ?
C50 H50B . 0.989 ?
C51 H51 . 1.001 ?
C52 H52A . 0.989 ?
C52 H52B . 0.991 ?
C53 H53A . 0.991 ?
C53 H53B . 0.990 ?
C54 H54A . 0.990 ?
C54 H54B . 0.990 ?
C56 H56 . 0.950 ?
C57 H57 . 0.949 ?
C58 H58 . 0.950 ?
C59 H59 . 0.951 ?
C60 H60 . 0.950 ?
C62 H62 . 0.949 ?
C63 H63 . 0.949 ?
C64 H64 . 0.950 ?
C65 H65 . 0.951 ?
C66 H66 . 0.951 ?
C67 H67A . 0.991 ?
C67 H67B . 0.990 ?
C68 H68A . 0.989 ?
C68 H68B . 0.991 ?
C69 H69 . 1.000 ?
C70 H70A . 0.990 ?
C70 H70B . 0.990 ?
C71 H71A . 0.989 ?
C71 H71B . 0.989 ?
C72 H72A . 0.991 ?
C72 H72B . 0.990 ?
C73 H73 . 1.000 ?
C74 H74A . 0.990 ?
C74 H74B . 0.990 ?
C75 H75A . 0.989 ?
C75 H75B . 0.989 ?
C76 H76A . 0.989 ?
C76 H76B . 0.990 ?
C78 H78 . 0.951 ?
C79 H79 . 0.951 ?
C80 H80 . 0.950 ?
C81 H81 . 0.950 ?
C82 H82 . 0.949 ?
C84 H84 . 0.950 ?
C85 H85 . 0.950 ?
C86 H86 . 0.950 ?
C87 H87 . 0.950 ?
C88 H88 . 0.951 ?
