#------------------------------------------------------------------------------
#$Date: 2016-03-24 17:21:59 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179687 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/09/7000943.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_7000943
loop_
_publ_author_name
'Jeletic, Matthew S.'
'Jan, Muhammad T.'
'Ghiviriga, Ion'
'Abboud, Khalil A.'
'Veige, Adam S.'
_publ_section_title
;
 New iridium and rhodium chiral di-N-heterocyclic carbene (NHC)
 complexes and their application in enantioselective catalysis
;
_journal_issue                   15
_journal_name_full               'Dalton Transactions'
_journal_page_first              2764
_journal_page_last               2776
_journal_paper_doi               10.1039/b819524b
_journal_year                    2009
_chemical_formula_sum            'C76 H64 B2 Cl12 F8 N8 O4 Rh2'
_chemical_formula_weight         1958.19
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2007-08-05 # Formatted by publCIF
;
_cell_angle_alpha                90.00
_cell_angle_beta                 97.533(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.039(2)
_cell_length_b                   20.668(3)
_cell_length_c                   20.407(2)
_cell_measurement_reflns_used    359
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.0
_cell_measurement_theta_min      2.0
_cell_volume                     8378.9(17)
_computing_cell_refinement
'Bruker SMART v5.624 & SAINT 6.36a (Bruker 1998)'
_computing_data_collection       'Bruker SMART v5.624 (Bruker 1998)'
_computing_data_reduction        'Bruker SHELXTL v6.14 (Bruker 2000)'
_computing_molecular_graphics    'Bruker SHELXTL v6.14'
_computing_publication_material  'Bruker SHELXTL v6.14'
_computing_structure_refinement  'Bruker SHELXTL v6.14'
_computing_structure_solution    'Bruker SHELXTL v6.14'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'SMART CCD area detector'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0799
_diffrn_reflns_av_sigmaI/netI    0.0840
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            56208
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.02
_diffrn_standards_decay_%        1
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.847
_exptl_absorpt_correction_T_max  0.9339
_exptl_absorpt_correction_T_min  0.8348
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details
'based on measured indexed crystal faces, Bruker SHELXTL v6.12 (Bruker 1998)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.552
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plates
_exptl_crystal_F_000             3936
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.142
_refine_diff_density_min         -0.711
_refine_diff_density_rms         0.078
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.979
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1077
_refine_ls_number_reflns         19074
_refine_ls_number_restraints     52
_refine_ls_restrained_S_all      0.990
_refine_ls_R_factor_all          0.0890
_refine_ls_R_factor_gt           0.0486
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0611P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1178
_refine_ls_wR_factor_ref         0.1306
_reflns_number_gt                11647
_reflns_number_total             19074
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            b819524b.txt
_cod_data_source_block           tj01
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 
;
_cod_original_cell_volume        8379.0(17)
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7000943
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.427352(14) 0.585150(15) 0.243733(14) 0.03639(9) Uani 1 1 d . . .
O1 O 0.34598(17) 0.6187(2) 0.35401(17) 0.0860(12) Uani 1 1 d . . .
O2 O 0.31127(18) 0.5929(3) 0.13553(18) 0.1123(17) Uani 1 1 d . . .
N1 N 0.57076(14) 0.58731(12) 0.32380(13) 0.0285(6) Uani 1 1 d . . .
N2 N 0.50779(16) 0.51378(13) 0.36037(14) 0.0345(7) Uani 1 1 d . . .
N3 N 0.50930(14) 0.61558(13) 0.13065(13) 0.0288(6) Uani 1 1 d . . .
N4 N 0.50684(15) 0.51262(13) 0.14792(13) 0.0339(7) Uani 1 1 d . . .
C1 C 0.47799(17) 0.78265(16) 0.28215(17) 0.0306(8) Uani 1 1 d . . .
C2 C 0.42167(19) 0.79289(18) 0.3123(2) 0.0434(10) Uani 1 1 d . . .
H2A H 0.4191 0.7763 0.3553 0.052 Uiso 1 1 calc R . .
C3 C 0.3683(2) 0.8280(2) 0.2789(2) 0.0577(12) Uani 1 1 d . . .
H3A H 0.3291 0.8353 0.2995 0.069 Uiso 1 1 calc R . .
C4 C 0.3715(2) 0.8520(2) 0.2173(2) 0.0574(12) Uani 1 1 d . . .
H4A H 0.3348 0.8762 0.1956 0.069 Uiso 1 1 calc R . .
C5 C 0.4278(2) 0.84153(18) 0.1859(2) 0.0454(10) Uani 1 1 d . . .
H5A H 0.4296 0.8577 0.1426 0.054 Uiso 1 1 calc R . .
C6 C 0.48128(18) 0.80721(16) 0.21846(17) 0.0336(8) Uani 1 1 d . . .
C7 C 0.59925(17) 0.79024(15) 0.30682(17) 0.0306(8) Uani 1 1 d . . .
C8 C 0.64456(18) 0.80973(17) 0.36003(19) 0.0394(9) Uani 1 1 d . . .
H8A H 0.6422 0.7924 0.4028 0.047 Uiso 1 1 calc R . .
C9 C 0.6936(2) 0.85491(19) 0.3503(2) 0.0477(10) Uani 1 1 d . . .
H9A H 0.7241 0.8697 0.3868 0.057 Uiso 1 1 calc R . .
C10 C 0.6979(2) 0.87848(19) 0.2873(2) 0.0512(11) Uani 1 1 d . . .
H10A H 0.7320 0.9089 0.2809 0.061 Uiso 1 1 calc R . .
C11 C 0.65313(19) 0.85802(17) 0.2338(2) 0.0424(10) Uani 1 1 d . . .
H11A H 0.6570 0.8735 0.1907 0.051 Uiso 1 1 calc R . .
C12 C 0.60276(17) 0.81491(15) 0.24366(18) 0.0326(8) Uani 1 1 d . . .
C13 C 0.53986(17) 0.74576(15) 0.30954(16) 0.0289(7) Uani 1 1 d . . .
H13A H 0.5372 0.7297 0.3553 0.035 Uiso 1 1 calc R . .
C14 C 0.54725(18) 0.79106(16) 0.19232(17) 0.0331(8) Uani 1 1 d . . .
H14A H 0.5497 0.8109 0.1480 0.040 Uiso 1 1 calc R . .
C15 C 0.54467(17) 0.68930(15) 0.25987(16) 0.0278(7) Uani 1 1 d . . .
H15A H 0.4998 0.6673 0.2550 0.033 Uiso 1 1 calc R . .
C16 C 0.55294(17) 0.71591(15) 0.19042(16) 0.0288(7) Uani 1 1 d . . .
H16A H 0.5991 0.7045 0.1805 0.035 Uiso 1 1 calc R . .
C17 C 0.59633(17) 0.63693(16) 0.28229(17) 0.0326(8) Uani 1 1 d . . .
H17A H 0.6106 0.6159 0.2428 0.039 Uiso 1 1 calc R . .
H17B H 0.6365 0.6575 0.3073 0.039 Uiso 1 1 calc R . .
C18 C 0.61016(18) 0.55637(16) 0.37572(17) 0.0332(8) Uani 1 1 d . . .
C19 C 0.6767(2) 0.56413(18) 0.40333(19) 0.0432(9) Uani 1 1 d . . .
H19A H 0.7052 0.5955 0.3874 0.052 Uiso 1 1 calc R . .
C20 C 0.6990(2) 0.5236(2) 0.4553(2) 0.0568(12) Uani 1 1 d . . .
H20A H 0.7443 0.5274 0.4756 0.068 Uiso 1 1 calc R . .
C21 C 0.6583(3) 0.4780(2) 0.4790(2) 0.0613(13) Uani 1 1 d . . .
H21A H 0.6763 0.4517 0.5153 0.074 Uiso 1 1 calc R . .
C22 C 0.5924(2) 0.46913(18) 0.45213(19) 0.0501(11) Uani 1 1 d . . .
H22A H 0.5644 0.4375 0.4683 0.060 Uiso 1 1 calc R . .
C23 C 0.5694(2) 0.51011(15) 0.39902(17) 0.0364(9) Uani 1 1 d . . .
C24 C 0.4508(2) 0.47364(19) 0.3701(2) 0.0530(11) Uani 1 1 d . . .
H24A H 0.4125 0.4846 0.3370 0.080 Uiso 1 1 calc R . .
H24B H 0.4387 0.4811 0.4145 0.080 Uiso 1 1 calc R . .
H24C H 0.4626 0.4280 0.3654 0.080 Uiso 1 1 calc R . .
C25 C 0.50828(18) 0.56099(16) 0.31387(16) 0.0313(8) Uani 1 1 d . . .
C26 C 0.50155(19) 0.68623(15) 0.13682(16) 0.0340(8) Uani 1 1 d . . .
H26A H 0.4556 0.6957 0.1472 0.041 Uiso 1 1 calc R . .
H26B H 0.5064 0.7068 0.0939 0.041 Uiso 1 1 calc R . .
C27 C 0.54584(17) 0.58715(16) 0.08425(16) 0.0302(7) Uani 1 1 d . . .
C28 C 0.57816(18) 0.61258(17) 0.03405(17) 0.0358(8) Uani 1 1 d . . .
H28A H 0.5796 0.6578 0.0262 0.043 Uiso 1 1 calc R . .
C29 C 0.60819(19) 0.56883(19) -0.00400(19) 0.0433(9) Uani 1 1 d . . .
H29A H 0.6301 0.5844 -0.0394 0.052 Uiso 1 1 calc R . .
C30 C 0.6073(2) 0.50242(19) 0.00798(19) 0.0464(10) Uani 1 1 d . . .
H30A H 0.6294 0.4740 -0.0188 0.056 Uiso 1 1 calc R . .
C31 C 0.5751(2) 0.47707(18) 0.05794(18) 0.0432(10) Uani 1 1 d . . .
H31A H 0.5739 0.4318 0.0659 0.052 Uiso 1 1 calc R . .
C32 C 0.54447(18) 0.52107(16) 0.09607(17) 0.0335(8) Uani 1 1 d . . .
C33 C 0.4917(2) 0.44932(17) 0.17511(19) 0.0474(10) Uani 1 1 d . . .
H33A H 0.4645 0.4554 0.2112 0.071 Uiso 1 1 calc R . .
H33B H 0.5338 0.4274 0.1920 0.071 Uiso 1 1 calc R . .
H33C H 0.4666 0.4230 0.1403 0.071 Uiso 1 1 calc R . .
C34 C 0.48583(17) 0.56971(16) 0.16918(16) 0.0323(8) Uani 1 1 d . . .
C35 C 0.3760(2) 0.6046(2) 0.3130(2) 0.0555(12) Uani 1 1 d . . .
C36 C 0.3540(2) 0.5925(3) 0.1770(2) 0.0653(14) Uani 1 1 d . . .
Rh2 Rh -0.086672(15) 0.244481(13) 0.965077(15) 0.03690(9) Uani 1 1 d . . .
O3 O -0.17643(18) 0.35876(15) 0.9257(2) 0.0907(12) Uani 1 1 d . . .
O4 O -0.19560(16) 0.14709(16) 0.9227(2) 0.0851(12) Uani 1 1 d . . .
N5 N 0.05260(15) 0.31026(13) 0.96473(14) 0.0352(7) Uani 1 1 d . . .
N6 N -0.00482(18) 0.36072(15) 1.03122(14) 0.0454(8) Uani 1 1 d . . .
N7 N -0.00051(14) 0.12360(12) 0.94806(13) 0.0283(6) Uani 1 1 d . . .
N8 N 0.00178(15) 0.14851(13) 1.05169(13) 0.0330(7) Uani 1 1 d . . .
C37 C -0.04999(17) 0.26693(15) 0.76875(16) 0.0276(7) Uani 1 1 d . . .
C38 C -0.10839(18) 0.30291(17) 0.75958(18) 0.0380(9) Uani 1 1 d . . .
H38A H -0.1079 0.3468 0.7736 0.046 Uiso 1 1 calc R . .
C39 C -0.1675(2) 0.2755(2) 0.7301(2) 0.0516(11) Uani 1 1 d . . .
H39A H -0.2074 0.3007 0.7227 0.062 Uiso 1 1 calc R . .
C40 C -0.1686(2) 0.2111(2) 0.7112(2) 0.0535(11) Uani 1 1 d . . .
H40A H -0.2095 0.1922 0.6914 0.064 Uiso 1 1 calc R . .
C41 C -0.1108(2) 0.17408(18) 0.72077(17) 0.0401(9) Uani 1 1 d . . .
H41A H -0.1120 0.1299 0.7078 0.048 Uiso 1 1 calc R . .
C42 C -0.05127(17) 0.20162(15) 0.74925(15) 0.0290(8) Uani 1 1 d . . .
C43 C 0.07123(18) 0.27240(17) 0.76496(16) 0.0331(8) Uani 1 1 d . . .
C44 C 0.11989(19) 0.31482(19) 0.7487(2) 0.0462(10) Uani 1 1 d . . .
H44A H 0.1228 0.3574 0.7663 0.055 Uiso 1 1 calc R . .
C45 C 0.1644(2) 0.2942(2) 0.7062(2) 0.0639(13) Uani 1 1 d . . .
H45A H 0.1974 0.3233 0.6941 0.077 Uiso 1 1 calc R . .
C46 C 0.1613(2) 0.2330(2) 0.6820(3) 0.0707(15) Uani 1 1 d . . .
H46A H 0.1920 0.2200 0.6527 0.085 Uiso 1 1 calc R . .
C47 C 0.1141(2) 0.1889(2) 0.69923(19) 0.0510(11) Uani 1 1 d . . .
H47A H 0.1128 0.1460 0.6825 0.061 Uiso 1 1 calc R . .
C48 C 0.06909(18) 0.20871(17) 0.74108(17) 0.0345(8) Uani 1 1 d . . .
C49 C 0.01636(16) 0.28703(15) 0.80663(16) 0.0275(7) Uani 1 1 d . . .
H49A H 0.0165 0.3334 0.8206 0.033 Uiso 1 1 calc R . .
C50 C 0.01533(17) 0.16796(15) 0.76659(15) 0.0303(8) Uani 1 1 d . . .
H50A H 0.0146 0.1227 0.7492 0.036 Uiso 1 1 calc R . .
C51 C 0.02321(17) 0.24010(14) 0.86633(15) 0.0268(7) Uani 1 1 d . . .
H51A H -0.0207 0.2417 0.8846 0.032 Uiso 1 1 calc R . .
C52 C 0.03150(17) 0.17018(15) 0.84310(15) 0.0275(7) Uani 1 1 d . . .
H52A H 0.0793 0.1566 0.8560 0.033 Uiso 1 1 calc R . .
C53 C 0.07706(18) 0.25981(16) 0.92253(17) 0.0336(8) Uani 1 1 d . . .
H53A H 0.0911 0.2214 0.9498 0.040 Uiso 1 1 calc R . .
H53B H 0.1170 0.2762 0.9038 0.040 Uiso 1 1 calc R . .
C54 C 0.0914(2) 0.36372(17) 0.98811(17) 0.0419(10) Uani 1 1 d . . .
C55 C 0.1539(2) 0.3863(2) 0.9752(2) 0.0521(11) Uani 1 1 d . . .
H55A H 0.1790 0.3644 0.9456 0.062 Uiso 1 1 calc R . .
C56 C 0.1775(3) 0.4419(2) 1.0078(2) 0.0603(12) Uani 1 1 d . . .
H56A H 0.2201 0.4588 1.0009 0.072 Uiso 1 1 calc R . .
C57 C 0.1400(3) 0.4737(2) 1.0504(2) 0.0694(15) Uani 1 1 d . . .
H57A H 0.1575 0.5122 1.0715 0.083 Uiso 1 1 calc R . .
C58 C 0.0794(3) 0.4520(2) 1.0629(2) 0.0636(14) Uani 1 1 d . . .
H58A H 0.0546 0.4740 1.0927 0.076 Uiso 1 1 calc R . .
C59 C 0.0547(2) 0.39591(18) 1.03040(18) 0.0467(10) Uani 1 1 d . . .
C60 C -0.0571(3) 0.3789(2) 1.0717(2) 0.0635(13) Uani 1 1 d . . .
H60A H -0.0942 0.3478 1.0647 0.095 Uiso 1 1 calc R . .
H60B H -0.0739 0.4223 1.0591 0.095 Uiso 1 1 calc R . .
H60C H -0.0381 0.3789 1.1185 0.095 Uiso 1 1 calc R . .
C61 C -0.0062(2) 0.30822(16) 0.99078(17) 0.0378(9) Uani 1 1 d . . .
C62 C -0.01449(18) 0.12433(15) 0.87583(15) 0.0306(8) Uani 1 1 d . . .
H62A H -0.0619 0.1375 0.8628 0.037 Uiso 1 1 calc R . .
H62B H -0.0092 0.0799 0.8591 0.037 Uiso 1 1 calc R . .
C63 C 0.04273(17) 0.07952(15) 0.98375(16) 0.0281(7) Uani 1 1 d . . .
C64 C 0.07849(18) 0.02723(16) 0.96341(18) 0.0347(8) Uani 1 1 d . . .
H64A H 0.0777 0.0165 0.9181 0.042 Uiso 1 1 calc R . .
C65 C 0.11541(18) -0.00842(17) 1.01340(18) 0.0379(9) Uani 1 1 d . . .
H65A H 0.1408 -0.0446 1.0020 0.046 Uiso 1 1 calc R . .
C66 C 0.11609(19) 0.00771(18) 1.07983(19) 0.0424(9) Uani 1 1 d . . .
H66A H 0.1421 -0.0179 1.1124 0.051 Uiso 1 1 calc R . .
C67 C 0.08041(18) 0.05954(17) 1.09997(18) 0.0377(9) Uani 1 1 d . . .
H67A H 0.0809 0.0701 1.1453 0.045 Uiso 1 1 calc R . .
C68 C 0.04361(18) 0.09544(16) 1.04983(17) 0.0320(8) Uani 1 1 d . . .
C69 C -0.0125(2) 0.18131(18) 1.11184(17) 0.0461(10) Uani 1 1 d . . .
H69A H -0.0437 0.2172 1.1000 0.069 Uiso 1 1 calc R . .
H69B H 0.0295 0.1981 1.1358 0.069 Uiso 1 1 calc R . .
H69C H -0.0329 0.1506 1.1400 0.069 Uiso 1 1 calc R . .
C70 C -0.02475(17) 0.16607(16) 0.99018(16) 0.0309(8) Uani 1 1 d . . .
C71 C -0.1435(2) 0.3162(2) 0.9413(2) 0.0537(11) Uani 1 1 d . . .
C72 C -0.1565(2) 0.1851(2) 0.9399(2) 0.0543(11) Uani 1 1 d . . .
F1 F 0.51475(18) 0.14824(15) 0.06445(13) 0.0967(10) Uani 1 1 d . A .
B1 B 0.4820(3) 0.1804(2) 0.0132(2) 0.0518(13) Uani 1 1 d . . .
F2 F 0.5268(3) 0.1830(4) -0.0337(4) 0.074(2) Uani 0.527(8) 1 d P A 1
F3 F 0.4267(3) 0.1419(4) -0.0225(4) 0.107(3) Uani 0.527(8) 1 d P A 1
F4 F 0.4523(6) 0.2362(4) 0.0210(3) 0.116(5) Uani 0.527(8) 1 d P A 1
F2A F 0.4784(9) 0.1569(5) -0.0418(4) 0.160(8) Uani 0.473(8) 1 d P A 2
F3A F 0.4192(3) 0.1842(4) 0.0419(4) 0.087(3) Uani 0.473(8) 1 d P A 2
F4A F 0.5062(4) 0.2454(4) 0.0202(4) 0.082(3) Uani 0.473(8) 1 d P A 2
B2 B 0.02972(15) 0.47772(14) 0.78070(14) 0.0422(11) Uani 1 1 d D . .
F5 F -0.00219(11) 0.43377(11) 0.73667(11) 0.0585(6) Uani 1 1 d D B .
F6 F 0.07422(14) 0.51358(13) 0.74812(14) 0.0629(11) Uani 0.856(6) 1 d PD B 3
F7 F 0.06690(16) 0.44618(13) 0.83234(13) 0.0674(11) Uani 0.856(6) 1 d PD B 3
F8 F -0.01617(16) 0.51931(13) 0.80148(14) 0.0723(12) Uani 0.856(6) 1 d PD B 3
F6' F -0.0020(17) 0.4773(19) 0.8370(10) 0.26(3) Uiso 0.144(6) 1 d PD B 4
F7' F 0.0959(7) 0.4602(14) 0.797(2) 0.29(3) Uiso 0.144(6) 1 d PD B 4
F8' F 0.026(2) 0.5384(4) 0.7534(11) 0.50(6) Uiso 0.144(6) 1 d PD B 4
C73 C 0.2762(2) 0.3043(2) 0.4684(3) 0.0715(14) Uani 1 1 d . . .
H73A H 0.3198 0.3238 0.4883 0.086 Uiso 1 1 calc R C 5
Cl1 Cl 0.2297(3) 0.2896(3) 0.5339(3) 0.0554(11) Uiso 0.413(11) 1 d P D 5
Cl2 Cl 0.2323(2) 0.3656(3) 0.4196(2) 0.0554(11) Uiso 0.413(11) 1 d P D 5
Cl3 Cl 0.2955(2) 0.2369(2) 0.4299(4) 0.0554(11) Uiso 0.413(11) 1 d P D 5
Cl1A Cl 0.2062(7) 0.3407(7) 0.4885(7) 0.116(4) Uiso 0.140(3) 1 d P D 6
Cl2A Cl 0.2353(7) 0.2925(7) 0.3722(7) 0.116(4) Uiso 0.140(3) 1 d P D 6
Cl3A Cl 0.2610(7) 0.2183(7) 0.4882(7) 0.116(4) Uiso 0.140(3) 1 d P D 6
Cl1B Cl 0.2393(5) 0.2758(5) 0.5253(5) 0.0581(19) Uiso 0.192(8) 1 d P D 7
Cl2B Cl 0.2503(5) 0.3693(5) 0.4160(5) 0.0581(19) Uiso 0.192(8) 1 d P D 7
Cl3B Cl 0.2813(5) 0.2404(3) 0.4012(7) 0.0581(19) Uiso 0.192(8) 1 d P D 7
Cl1C Cl 0.2210(5) 0.3038(4) 0.5364(5) 0.0635(17) Uiso 0.238(9) 1 d P D 8
Cl2C Cl 0.2348(4) 0.3478(5) 0.4051(4) 0.0635(17) Uiso 0.238(9) 1 d P D 8
Cl3C Cl 0.2921(3) 0.2213(4) 0.4536(6) 0.0635(17) Uiso 0.238(9) 1 d P D 8
Cl4 Cl 0.18477(7) 0.57038(6) 0.36496(6) 0.0739(4) Uani 1 1 d . E .
Cl5 Cl 0.20643(6) 0.54936(5) 0.22962(6) 0.0576(3) Uani 1 1 d . E .
Cl6A Cl 0.176(3) 0.4435(6) 0.324(3) 0.108(10) Uani 0.27(4) 1 d P E 9
Cl6 Cl 0.1521(3) 0.4472(3) 0.2985(3) 0.0575(14) Uani 0.73(4) 1 d P E 10
C74 C 0.1568(2) 0.52915(18) 0.2918(2) 0.0462(10) Uani 1 1 d . . .
H74A H 0.1102 0.5449 0.2764 0.055 Uiso 1 1 calc R E 10
Cl7 Cl 0.25030(11) 0.50295(11) 0.73744(8) 0.1307(7) Uani 1 1 d . . .
Cl8 Cl 0.23956(8) 0.55285(6) 0.86741(7) 0.0854(4) Uani 1 1 d . . .
Cl9 Cl 0.27088(7) 0.41914(6) 0.84923(7) 0.0747(4) Uani 1 1 d . . .
C75 C 0.2266(2) 0.4863(2) 0.8149(2) 0.0631(13) Uani 1 1 d . . .
H75A H 0.1775 0.4756 0.8089 0.076 Uiso 1 1 calc R . .
Cl10 Cl 0.73366(9) 0.22808(12) 0.06191(8) 0.1332(8) Uani 1 1 d . . .
Cl11 Cl 0.64941(16) 0.33405(8) 0.02163(11) 0.1895(14) Uani 1 1 d . . .
Cl12 Cl 0.67432(9) 0.24124(10) -0.07149(8) 0.1207(7) Uani 1 1 d . . .
C76 C 0.6634(2) 0.2532(2) 0.0107(3) 0.0685(14) Uani 1 1 d . . .
H76A H 0.6234 0.2280 0.0209 0.082 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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'
F F 0.0171 0.0103 '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
C36 Rh1 C35 94.23(19) . . ?
C36 Rh1 C34 86.77(16) . . ?
C35 Rh1 C34 176.40(17) . . ?
C36 Rh1 C25 170.64(19) . . ?
C35 Rh1 C25 89.34(16) . . ?
C34 Rh1 C25 90.19(13) . . ?
C25 N1 C18 110.5(3) . . ?
C25 N1 C17 125.5(3) . . ?
C18 N1 C17 123.8(3) . . ?
C25 N2 C23 110.5(3) . . ?
C25 N2 C24 125.8(3) . . ?
C23 N2 C24 123.7(3) . . ?
C34 N3 C27 110.6(3) . . ?
C34 N3 C26 126.5(3) . . ?
C27 N3 C26 122.9(3) . . ?
C34 N4 C32 111.1(3) . . ?
C34 N4 C33 124.8(3) . . ?
C32 N4 C33 124.1(3) . . ?
C2 C1 C6 120.1(3) . . ?
C2 C1 C13 126.9(3) . . ?
C6 C1 C13 113.1(3) . . ?
C1 C2 C3 119.0(4) . . ?
C1 C2 H2A 120.5 . . ?
C3 C2 H2A 120.5 . . ?
C4 C3 C2 121.0(4) . . ?
C4 C3 H3A 119.5 . . ?
C2 C3 H3A 119.5 . . ?
C3 C4 C5 120.7(4) . . ?
C3 C4 H4A 119.7 . . ?
C5 C4 H4A 119.7 . . ?
C6 C5 C4 119.0(4) . . ?
C6 C5 H5A 120.5 . . ?
C4 C5 H5A 120.5 . . ?
C5 C6 C1 120.2(3) . . ?
C5 C6 C14 126.7(3) . . ?
C1 C6 C14 113.1(3) . . ?
C8 C7 C12 120.8(3) . . ?
C8 C7 C13 126.1(3) . . ?
C12 C7 C13 113.0(3) . . ?
C7 C8 C9 119.2(4) . . ?
C7 C8 H8A 120.4 . . ?
C9 C8 H8A 120.4 . . ?
C10 C9 C8 120.0(4) . . ?
C10 C9 H9A 120.0 . . ?
C8 C9 H9A 120.0 . . ?
C11 C10 C9 120.7(4) . . ?
C11 C10 H10A 119.7 . . ?
C9 C10 H10A 119.7 . . ?
C12 C11 C10 119.5(4) . . ?
C12 C11 H11A 120.3 . . ?
C10 C11 H11A 120.3 . . ?
C11 C12 C7 119.8(4) . . ?
C11 C12 C14 126.6(3) . . ?
C7 C12 C14 113.6(3) . . ?
C1 C13 C7 107.1(3) . . ?
C1 C13 C15 104.9(3) . . ?
C7 C13 C15 108.4(3) . . ?
C1 C13 H13A 112.0 . . ?
C7 C13 H13A 112.0 . . ?
C15 C13 H13A 112.0 . . ?
C12 C14 C6 106.2(3) . . ?
C12 C14 C16 107.1(3) . . ?
C6 C14 C16 107.2(3) . . ?
C12 C14 H14A 112.0 . . ?
C6 C14 H14A 112.0 . . ?
C16 C14 H14A 112.0 . . ?
C17 C15 C16 112.1(3) . . ?
C17 C15 C13 115.7(3) . . ?
C16 C15 C13 110.6(3) . . ?
C17 C15 H15A 105.9 . . ?
C16 C15 H15A 105.9 . . ?
C13 C15 H15A 105.9 . . ?
C26 C16 C15 111.7(3) . . ?
C26 C16 C14 111.9(3) . . ?
C15 C16 C14 108.3(2) . . ?
C26 C16 H16A 108.3 . . ?
C15 C16 H16A 108.3 . . ?
C14 C16 H16A 108.3 . . ?
N1 C17 C15 113.3(3) . . ?
N1 C17 H17A 108.9 . . ?
C15 C17 H17A 108.9 . . ?
N1 C17 H17B 108.9 . . ?
C15 C17 H17B 108.9 . . ?
H17A C17 H17B 107.7 . . ?
C23 C18 C19 121.4(3) . . ?
C23 C18 N1 106.1(3) . . ?
C19 C18 N1 132.5(3) . . ?
C20 C19 C18 116.1(4) . . ?
C20 C19 H19A 121.9 . . ?
C18 C19 H19A 121.9 . . ?
C21 C20 C19 122.6(4) . . ?
C21 C20 H20A 118.7 . . ?
C19 C20 H20A 118.7 . . ?
C22 C21 C20 122.3(4) . . ?
C22 C21 H21A 118.9 . . ?
C20 C21 H21A 118.9 . . ?
C21 C22 C23 115.5(4) . . ?
C21 C22 H22A 122.3 . . ?
C23 C22 H22A 122.3 . . ?
N2 C23 C18 106.9(3) . . ?
N2 C23 C22 130.9(4) . . ?
C18 C23 C22 122.2(4) . . ?
N2 C24 H24A 109.5 . . ?
N2 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
N2 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N1 C25 N2 105.9(3) . . ?
N1 C25 Rh1 128.9(2) . . ?
N2 C25 Rh1 125.1(3) . . ?
N3 C26 C16 112.9(3) . . ?
N3 C26 H26A 109.0 . . ?
C16 C26 H26A 109.0 . . ?
N3 C26 H26B 109.0 . . ?
C16 C26 H26B 109.0 . . ?
H26A C26 H26B 107.8 . . ?
C28 C27 C32 121.6(3) . . ?
C28 C27 N3 132.7(3) . . ?
C32 C27 N3 105.7(3) . . ?
C29 C28 C27 116.6(3) . . ?
C29 C28 H28A 121.7 . . ?
C27 C28 H28A 121.7 . . ?
C28 C29 C30 122.0(3) . . ?
C28 C29 H29A 119.0 . . ?
C30 C29 H29A 119.0 . . ?
C31 C30 C29 121.4(3) . . ?
C31 C30 H30A 119.3 . . ?
C29 C30 H30A 119.3 . . ?
C30 C31 C32 116.7(3) . . ?
C30 C31 H31A 121.7 . . ?
C32 C31 H31A 121.7 . . ?
C27 C32 N4 106.3(3) . . ?
C27 C32 C31 121.7(3) . . ?
N4 C32 C31 131.9(3) . . ?
N4 C33 H33A 109.5 . . ?
N4 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
N4 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
N4 C34 N3 106.3(3) . . ?
N4 C34 Rh1 127.3(2) . . ?
N3 C34 Rh1 126.4(2) . . ?
O1 C35 Rh1 177.3(4) . . ?
O2 C36 Rh1 175.2(6) . . ?
C72 Rh2 C71 92.33(17) . . ?
C72 Rh2 C70 87.53(15) . . ?
C71 Rh2 C70 179.54(17) . . ?
C72 Rh2 C61 177.52(16) . . ?
C71 Rh2 C61 89.35(16) . . ?
C70 Rh2 C61 90.78(14) . . ?
C61 N5 C54 111.3(3) . . ?
C61 N5 C53 125.4(3) . . ?
C54 N5 C53 123.0(3) . . ?
C61 N6 C59 110.9(3) . . ?
C61 N6 C60 126.0(4) . . ?
C59 N6 C60 123.1(3) . . ?
C70 N7 C63 109.9(3) . . ?
C70 N7 C62 126.3(3) . . ?
C63 N7 C62 123.8(3) . . ?
C70 N8 C68 110.8(3) . . ?
C70 N8 C69 124.1(3) . . ?
C68 N8 C69 125.2(3) . . ?
C38 C37 C42 119.7(3) . . ?
C38 C37 C49 126.7(3) . . ?
C42 C37 C49 113.1(3) . . ?
C37 C38 C39 120.2(3) . . ?
C37 C38 H38A 119.9 . . ?
C39 C38 H38A 119.9 . . ?
C38 C39 C40 119.9(4) . . ?
C38 C39 H39A 120.1 . . ?
C40 C39 H39A 120.1 . . ?
C41 C40 C39 120.8(4) . . ?
C41 C40 H40A 119.6 . . ?
C39 C40 H40A 119.6 . . ?
C42 C41 C40 119.6(3) . . ?
C42 C41 H41A 120.2 . . ?
C40 C41 H41A 120.2 . . ?
C41 C42 C37 119.9(3) . . ?
C41 C42 C50 126.8(3) . . ?
C37 C42 C50 113.2(3) . . ?
C44 C43 C48 120.1(3) . . ?
C44 C43 C49 126.7(3) . . ?
C48 C43 C49 113.2(3) . . ?
C43 C44 C45 119.1(4) . . ?
C43 C44 H44A 120.5 . . ?
C45 C44 H44A 120.5 . . ?
C46 C45 C44 120.7(4) . . ?
C46 C45 H45A 119.6 . . ?
C44 C45 H45A 119.6 . . ?
C45 C46 C47 121.2(4) . . ?
C45 C46 H46A 119.4 . . ?
C47 C46 H46A 119.4 . . ?
C48 C47 C46 118.9(4) . . ?
C48 C47 H47A 120.6 . . ?
C46 C47 H47A 120.6 . . ?
C47 C48 C43 120.0(3) . . ?
C47 C48 C50 126.9(3) . . ?
C43 C48 C50 113.2(3) . . ?
C43 C49 C37 108.4(3) . . ?
C43 C49 C51 108.8(3) . . ?
C37 C49 C51 102.2(2) . . ?
C43 C49 H49A 112.3 . . ?
C37 C49 H49A 112.3 . . ?
C51 C49 H49A 112.3 . . ?
C42 C50 C48 108.1(3) . . ?
C42 C50 C52 106.5(3) . . ?
C48 C50 C52 105.4(3) . . ?
C42 C50 H50A 112.1 . . ?
C48 C50 H50A 112.1 . . ?
C52 C50 H50A 112.1 . . ?
C53 C51 C52 112.9(3) . . ?
C53 C51 C49 113.9(3) . . ?
C52 C51 C49 110.4(3) . . ?
C53 C51 H51A 106.3 . . ?
C52 C51 H51A 106.3 . . ?
C49 C51 H51A 106.3 . . ?
C62 C52 C51 110.6(3) . . ?
C62 C52 C50 111.2(3) . . ?
C51 C52 C50 108.7(2) . . ?
C62 C52 H52A 108.8 . . ?
C51 C52 H52A 108.8 . . ?
C50 C52 H52A 108.8 . . ?
N5 C53 C51 111.8(3) . . ?
N5 C53 H53A 109.3 . . ?
C51 C53 H53A 109.3 . . ?
N5 C53 H53B 109.3 . . ?
C51 C53 H53B 109.3 . . ?
H53A C53 H53B 107.9 . . ?
C59 C54 C55 121.6(4) . . ?
C59 C54 N5 106.1(3) . . ?
C55 C54 N5 132.3(4) . . ?
C56 C55 C54 116.5(4) . . ?
C56 C55 H55A 121.7 . . ?
C54 C55 H55A 121.7 . . ?
C55 C56 C57 121.1(5) . . ?
C55 C56 H56A 119.4 . . ?
C57 C56 H56A 119.4 . . ?
C58 C57 C56 122.4(4) . . ?
C58 C57 H57A 118.8 . . ?
C56 C57 H57A 118.8 . . ?
C57 C58 C59 117.3(4) . . ?
C57 C58 H58A 121.4 . . ?
C59 C58 H58A 121.4 . . ?
C54 C59 C58 121.0(4) . . ?
C54 C59 N6 106.4(3) . . ?
C58 C59 N6 132.6(4) . . ?
N6 C60 H60A 109.5 . . ?
N6 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
N6 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
N5 C61 N6 105.3(3) . . ?
N5 C61 Rh2 127.0(2) . . ?
N6 C61 Rh2 127.4(3) . . ?
N7 C62 C52 113.5(3) . . ?
N7 C62 H62A 108.9 . . ?
C52 C62 H62A 108.9 . . ?
N7 C62 H62B 108.9 . . ?
C52 C62 H62B 108.9 . . ?
H62A C62 H62B 107.7 . . ?
C68 C63 C64 122.3(3) . . ?
C68 C63 N7 106.3(3) . . ?
C64 C63 N7 131.4(3) . . ?
C63 C64 C65 116.0(3) . . ?
C63 C64 H64A 122.0 . . ?
C65 C64 H64A 122.0 . . ?
C64 C65 C66 121.5(3) . . ?
C64 C65 H65A 119.2 . . ?
C66 C65 H65A 119.2 . . ?
C67 C66 C65 122.4(3) . . ?
C67 C66 H66A 118.8 . . ?
C65 C66 H66A 118.8 . . ?
C66 C67 C68 116.1(3) . . ?
C66 C67 H67A 122.0 . . ?
C68 C67 H67A 122.0 . . ?
N8 C68 C63 106.5(3) . . ?
N8 C68 C67 131.7(3) . . ?
C63 C68 C67 121.7(3) . . ?
N8 C69 H69A 109.5 . . ?
N8 C69 H69B 109.5 . . ?
H69A C69 H69B 109.5 . . ?
N8 C69 H69C 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
N8 C70 N7 106.5(3) . . ?
N8 C70 Rh2 126.4(2) . . ?
N7 C70 Rh2 127.0(2) . . ?
O3 C71 Rh2 178.1(4) . . ?
O4 C72 Rh2 175.4(4) . . ?
F2A B1 F4 119.2(6) . . ?
F2A B1 F1 119.3(6) . . ?
F4 B1 F1 121.6(5) . . ?
F2A B1 F2 49.4(9) . . ?
F4 B1 F2 113.0(7) . . ?
F1 B1 F2 105.3(5) . . ?
F2A B1 F4A 116.5(9) . . ?
F4 B1 F4A 47.0(5) . . ?
F1 B1 F4A 105.3(5) . . ?
F2 B1 F4A 78.1(5) . . ?
F2A B1 F3A 116.2(11) . . ?
F4 B1 F3A 58.4(6) . . ?
F1 B1 F3A 94.2(4) . . ?
F2 B1 F3A 159.9(6) . . ?
F4A B1 F3A 102.0(6) . . ?
F2A B1 F3 51.7(9) . . ?
F4 B1 F3 102.0(8) . . ?
F1 B1 F3 112.2(5) . . ?
F2 B1 F3 101.0(5) . . ?
F4A B1 F3 141.1(6) . . ?
F3A B1 F3 66.1(5) . . ?
F8 B2 F8' 63(2) . . ?
F8 B2 F7 112.3(3) . . ?
F8' B2 F7 138.1(8) . . ?
F8 B2 F7' 139.3(7) . . ?
F8' B2 F7' 110.2(4) . . ?
F7 B2 F7' 44(2) . . ?
F8 B2 F5 110.1(2) . . ?
F8' B2 F5 109.9(4) . . ?
F7 B2 F5 110.3(2) . . ?
F7' B2 F5 109.7(3) . . ?
F8 B2 F6' 49(2) . . ?
F8' B2 F6' 109.4(3) . . ?
F7 B2 F6' 68(2) . . ?
F7' B2 F6' 109.2(3) . . ?
F5 B2 F6' 108.3(3) . . ?
F8 B2 F6 108.2(2) . . ?
F8' B2 F6 48(2) . . ?
F7 B2 F6 107.6(2) . . ?
F7' B2 F6 66(2) . . ?
F5 B2 F6 108.1(2) . . ?
F6' B2 F6 142.3(7) . . ?
Cl1B C73 Cl3 101.2(5) . . ?
Cl1B C73 Cl1A 60.1(6) . . ?
Cl3 C73 Cl1A 137.5(6) . . ?
Cl1B C73 Cl2C 122.1(6) . . ?
Cl3 C73 Cl2C 101.8(4) . . ?
Cl1A C73 Cl2C 67.1(6) . . ?
Cl1B C73 Cl2B 127.5(7) . . ?
Cl3 C73 Cl2B 115.0(6) . . ?
Cl1A C73 Cl2B 67.5(6) . . ?
Cl2C C73 Cl2B 18.9(4) . . ?
Cl1B C73 Cl1 12.2(4) . . ?
Cl3 C73 Cl1 113.1(3) . . ?
Cl1A C73 Cl1 49.5(6) . . ?
Cl2C C73 Cl1 114.6(4) . . ?
Cl2B C73 Cl1 116.9(5) . . ?
Cl1B C73 Cl2 115.9(5) . . ?
Cl3 C73 Cl2 117.5(4) . . ?
Cl1A C73 Cl2 56.7(5) . . ?
Cl2C C73 Cl2 15.7(3) . . ?
Cl2B C73 Cl2 12.5(3) . . ?
Cl1 C73 Cl2 106.1(3) . . ?
Cl1B C73 Cl3C 82.8(6) . . ?
Cl3 C73 Cl3C 19.5(3) . . ?
Cl1A C73 Cl3C 130.1(6) . . ?
Cl2C C73 Cl3C 117.6(4) . . ?
Cl2B C73 Cl3C 133.0(6) . . ?
Cl1 C73 Cl3C 95.0(4) . . ?
Cl2 C73 Cl3C 133.0(4) . . ?
Cl1B C73 Cl3A 51.2(6) . . ?
Cl3 C73 Cl3A 50.0(5) . . ?
Cl1A C73 Cl3A 102.0(7) . . ?
Cl2C C73 Cl3A 126.5(6) . . ?
Cl2B C73 Cl3A 145.4(7) . . ?
Cl1 C73 Cl3A 63.2(6) . . ?
Cl2 C73 Cl3A 136.4(6) . . ?
Cl3C C73 Cl3A 31.9(5) . . ?
Cl1B C73 Cl1C 22.3(4) . . ?
Cl3 C73 Cl1C 122.4(4) . . ?
Cl1A C73 Cl1C 40.3(5) . . ?
Cl2C C73 Cl1C 106.7(5) . . ?
Cl2B C73 Cl1C 107.3(5) . . ?
Cl1 C73 Cl1C 10.1(3) . . ?
Cl2 C73 Cl1C 97.0(4) . . ?
Cl3C C73 Cl1C 104.7(4) . . ?
Cl3A C73 Cl1C 72.9(6) . . ?
Cl1B C73 Cl3B 110.2(5) . . ?
Cl3 C73 Cl3B 18.4(3) . . ?
Cl1A C73 Cl3B 127.2(6) . . ?
Cl2C C73 Cl3B 83.5(6) . . ?
Cl2B C73 Cl3B 97.6(6) . . ?
Cl1 C73 Cl3B 120.7(4) . . ?
Cl2 C73 Cl3B 99.2(5) . . ?
Cl3C C73 Cl3B 35.6(5) . . ?
Cl3A C73 Cl3B 61.4(6) . . ?
Cl1C C73 Cl3B 127.9(4) . . ?
Cl1B C73 Cl2A 119.9(6) . . ?
Cl3 C73 Cl2A 62.4(5) . . ?
Cl1A C73 Cl2A 92.6(6) . . ?
Cl2C C73 Cl2A 40.3(5) . . ?
Cl2B C73 Cl2A 57.0(6) . . ?
Cl1 C73 Cl2A 121.8(5) . . ?
Cl2 C73 Cl2A 55.8(5) . . ?
Cl3C C73 Cl2A 77.3(6) . . ?
Cl3A C73 Cl2A 92.2(6) . . ?
Cl1C C73 Cl2A 120.5(5) . . ?
Cl3B C73 Cl2A 44.1(5) . . ?
Cl1B C73 H73A 108.7 . . ?
Cl3 C73 H73A 106.5 . . ?
Cl1A C73 H73A 115.6 . . ?
Cl2C C73 H73A 114.2 . . ?
Cl2B C73 H73A 96.4 . . ?
Cl1 C73 H73A 106.5 . . ?
Cl2 C73 H73A 106.5 . . ?
Cl3C C73 H73A 106.9 . . ?
Cl3A C73 H73A 117.2 . . ?
Cl1C C73 H73A 105.6 . . ?
Cl3B C73 H73A 116.3 . . ?
Cl2A C73 H73A 131.2 . . ?
Cl6 C74 Cl4 115.5(3) . . ?
Cl6 C74 Cl5 109.7(3) . . ?
Cl4 C74 Cl5 110.6(2) . . ?
Cl6 C74 Cl6A 20.1(19) . . ?
Cl4 C74 Cl6A 97.7(19) . . ?
Cl5 C74 Cl6A 110.9(4) . . ?
Cl6 C74 H74A 106.9 . . ?
Cl4 C74 H74A 106.9 . . ?
Cl5 C74 H74A 106.9 . . ?
Cl6A C74 H74A 123.3 . . ?
Cl7 C75 Cl8 111.5(3) . . ?
Cl7 C75 Cl9 109.7(3) . . ?
Cl8 C75 Cl9 110.7(3) . . ?
Cl7 C75 H75A 108.3 . . ?
Cl8 C75 H75A 108.3 . . ?
Cl9 C75 H75A 108.3 . . ?
Cl11 C76 Cl10 110.5(3) . . ?
Cl11 C76 Cl12 107.9(3) . . ?
Cl10 C76 Cl12 110.3(3) . . ?
Cl11 C76 H76A 109.4 . . ?
Cl10 C76 H76A 109.4 . . ?
Cl12 C76 H76A 109.4 . . ?
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 C36 1.874(5) . ?
Rh1 C35 1.897(4) . ?
Rh1 C34 2.063(3) . ?
Rh1 C25 2.078(4) . ?
O1 C35 1.132(5) . ?
O2 C36 1.122(5) . ?
N1 C25 1.356(4) . ?
N1 C18 1.391(4) . ?
N1 C17 1.465(4) . ?
N2 C25 1.362(4) . ?
N2 C23 1.377(5) . ?
N2 C24 1.446(5) . ?
N3 C34 1.355(4) . ?
N3 C27 1.400(4) . ?
N3 C26 1.475(4) . ?
N4 C34 1.344(4) . ?
N4 C32 1.388(4) . ?
N4 C33 1.468(4) . ?
C1 C2 1.371(5) . ?
C1 C6 1.405(5) . ?
C1 C13 1.500(5) . ?
C2 C3 1.395(6) . ?
C2 H2A 0.9500 . ?
C3 C4 1.360(6) . ?
C3 H3A 0.9500 . ?
C4 C5 1.386(6) . ?
C4 H4A 0.9500 . ?
C5 C6 1.380(5) . ?
C5 H5A 0.9500 . ?
C6 C14 1.526(5) . ?
C7 C8 1.381(5) . ?
C7 C12 1.396(5) . ?
C7 C13 1.511(5) . ?
C8 C9 1.388(5) . ?
C8 H8A 0.9500 . ?
C9 C10 1.387(6) . ?
C9 H9A 0.9500 . ?
C10 C11 1.386(6) . ?
C10 H10A 0.9500 . ?
C11 C12 1.381(5) . ?
C11 H11A 0.9500 . ?
C12 C14 1.507(5) . ?
C13 C15 1.557(4) . ?
C13 H13A 1.0000 . ?
C14 C16 1.558(4) . ?
C14 H14A 1.0000 . ?
C15 C17 1.526(4) . ?
C15 C16 1.549(4) . ?
C15 H15A 1.0000 . ?
C16 C26 1.529(5) . ?
C16 H16A 1.0000 . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 C23 1.382(5) . ?
C18 C19 1.387(5) . ?
C19 C20 1.380(5) . ?
C19 H19A 0.9500 . ?
C20 C21 1.376(6) . ?
C20 H20A 0.9500 . ?
C21 C22 1.373(6) . ?
C21 H21A 0.9500 . ?
C22 C23 1.405(5) . ?
C22 H22A 0.9500 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.385(5) . ?
C27 C32 1.388(4) . ?
C28 C29 1.380(5) . ?
C28 H28A 0.9500 . ?
C29 C30 1.395(5) . ?
C29 H29A 0.9500 . ?
C30 C31 1.380(5) . ?
C30 H30A 0.9500 . ?
C31 C32 1.391(5) . ?
C31 H31A 0.9500 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
Rh2 C72 1.882(5) . ?
Rh2 C71 1.893(4) . ?
Rh2 C70 2.064(3) . ?
Rh2 C61 2.095(4) . ?
O3 C71 1.121(5) . ?
O4 C72 1.131(5) . ?
N5 C61 1.355(4) . ?
N5 C54 1.398(4) . ?
N5 C53 1.476(4) . ?
N6 C61 1.361(4) . ?
N6 C59 1.399(5) . ?
N6 C60 1.466(5) . ?
N7 C70 1.362(4) . ?
N7 C63 1.395(4) . ?
N7 C62 1.464(4) . ?
N8 C70 1.347(4) . ?
N8 C68 1.384(4) . ?
N8 C69 1.463(4) . ?
C37 C38 1.379(5) . ?
C37 C42 1.407(4) . ?
C37 C49 1.506(5) . ?
C38 C39 1.379(5) . ?
C38 H38A 0.9500 . ?
C39 C40 1.384(6) . ?
C39 H39A 0.9500 . ?
C40 C41 1.381(5) . ?
C40 H40A 0.9500 . ?
C41 C42 1.379(5) . ?
C41 H41A 0.9500 . ?
C42 C50 1.505(4) . ?
C43 C44 1.384(5) . ?
C43 C48 1.402(5) . ?
C43 C49 1.506(4) . ?
C44 C45 1.389(5) . ?
C44 H44A 0.9500 . ?
C45 C46 1.357(7) . ?
C45 H45A 0.9500 . ?
C46 C47 1.391(6) . ?
C46 H46A 0.9500 . ?
C47 C48 1.383(5) . ?
C47 H47A 0.9500 . ?
C48 C50 1.513(5) . ?
C49 C51 1.549(4) . ?
C49 H49A 1.0000 . ?
C50 C52 1.553(4) . ?
C50 H50A 1.0000 . ?
C51 C53 1.524(5) . ?
C51 C52 1.537(4) . ?
C51 H51A 1.0000 . ?
C52 C62 1.535(4) . ?
C52 H52A 1.0000 . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C54 C59 1.376(5) . ?
C54 C55 1.394(6) . ?
C55 C56 1.381(5) . ?
C55 H55A 0.9500 . ?
C56 C57 1.387(7) . ?
C56 H56A 0.9500 . ?
C57 C58 1.350(7) . ?
C57 H57A 0.9500 . ?
C58 C59 1.394(5) . ?
C58 H58A 0.9500 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C63 C68 1.386(4) . ?
C63 C64 1.390(5) . ?
C64 C65 1.390(5) . ?
C64 H64A 0.9500 . ?
C65 C66 1.394(5) . ?
C65 H65A 0.9500 . ?
C66 C67 1.380(5) . ?
C66 H66A 0.9500 . ?
C67 C68 1.394(5) . ?
C67 H67A 0.9500 . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
F1 B1 1.336(5) . ?
B1 F2A 1.216(8) . ?
B1 F4 1.319(7) . ?
B1 F2 1.396(8) . ?
B1 F4A 1.430(9) . ?
B1 F3A 1.460(8) . ?
B1 F3 1.477(9) . ?
B2 F8 1.366(3) . ?
B2 F8' 1.371(4) . ?
B2 F7 1.373(3) . ?
B2 F7' 1.373(4) . ?
B2 F5 1.375(3) . ?
B2 F6' 1.384(4) . ?
B2 F6 1.393(3) . ?
C73 Cl1B 1.570(10) . ?
C73 Cl3 1.670(6) . ?
C73 Cl1A 1.689(14) . ?
C73 Cl2C 1.698(8) . ?
C73 Cl2B 1.752(10) . ?
C73 Cl1 1.754(8) . ?
C73 Cl2 1.772(6) . ?
C73 Cl3C 1.779(9) . ?
C73 Cl3A 1.857(15) . ?
C73 Cl1C 1.884(10) . ?
C73 Cl3B 1.916(11) . ?
C73 Cl2A 2.040(15) . ?
C73 H73A 1.0000 . ?
Cl4 C74 1.747(4) . ?
Cl5 C74 1.761(4) . ?
Cl6A C74 1.91(2) . ?
Cl6 C74 1.703(7) . ?
C74 H74A 1.0000 . ?
Cl7 C75 1.742(5) . ?
Cl8 C75 1.742(5) . ?
Cl9 C75 1.744(5) . ?
C75 H75A 1.0000 . ?
Cl10 C76 1.719(5) . ?
Cl11 C76 1.715(5) . ?
Cl12 C76 1.737(5) . ?
C76 H76A 1.0000 . ?
