#------------------------------------------------------------------------------
#$Date: 2019-11-24 09:22:28 +0200 (Sun, 24 Nov 2019) $
#$Revision: 237449 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/08/83/4088301.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_4088301
loop_
_publ_author_name
'Aznarez, Francisco'
'Sanz Miguel, Pablo J.'
'Tan, Tristan T. Y.'
'Hahn, F. Ekkehardt'
_publ_section_title
;
 Preparation of Rhodium(III) Di-NHC Chelate Complexes Featuring Two
 Different NHC Donors via a Mild NaOAc-Assisted C--H Activation
;
_journal_issue                   3
_journal_name_full               Organometallics
_journal_page_first              410
_journal_paper_doi               10.1021/acs.organomet.5b00993
_journal_volume                  35
_journal_year                    2016
_chemical_formula_sum            'C75 H74 Cl26 N16 Rh4'
_chemical_formula_weight         2532.84
_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-97
_cell_angle_alpha                95.0240(10)
_cell_angle_beta                 98.1250(10)
_cell_angle_gamma                107.7150(10)
_cell_formula_units_Z            1
_cell_length_a                   11.4534(2)
_cell_length_b                   11.7735(2)
_cell_length_c                   18.7545(3)
_cell_measurement_reflns_used    14328
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.467
_cell_measurement_theta_min      2.403
_cell_volume                     2361.91(7)
_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-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'Omega and Phi scans'
_diffrn_radiation_monochromator  'Goebel mirror'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0474
_diffrn_reflns_av_unetI/netI     0.0461
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            52977
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.535
_diffrn_reflns_theta_min         2.007
_diffrn_source                   microsource
_exptl_absorpt_coefficient_mu    1.474
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6331
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
 Multi-scan correction included in APEX2 package (Bruker AXS, 2012)
;
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.781
_exptl_crystal_description       Needle
_exptl_crystal_F_000             1258
_exptl_crystal_size_max          0.320
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.080
_refine_diff_density_max         2.240
_refine_diff_density_min         -2.214
_refine_diff_density_rms         0.121
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     560
_refine_ls_number_reflns         14361
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0490
_refine_ls_R_factor_gt           0.0358
_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)+(0.0283P)²+3.8100P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0778
_refine_ls_wR_factor_ref         0.0834
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11711
_reflns_number_total             14361
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            om5b00993_si_002.cif
_cod_data_source_block           '[5]'
_cod_original_cell_volume        2361.90(7)
_cod_database_code               4088301
_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   0.650
_shelx_estimated_absorpt_t_max   0.891
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 0.42296(2) 0.09067(2) 0.22015(2) 0.01055(4) Uani 1 1 d . . . . .
Rh2 Rh 0.68620(2) 0.68058(2) 0.33218(2) 0.00981(4) Uani 1 1 d . . . . .
Cl5 Cl 0.40032(6) 0.27632(6) 0.27074(4) 0.01727(12) Uani 1 1 d . . . . .
Cl1 Cl 0.70283(6) 0.40879(7) 0.04506(4) 0.02370(14) Uani 1 1 d . . . . .
Cl2 Cl 0.90057(6) 0.27807(7) 0.14002(4) 0.02401(14) Uani 1 1 d . . . . .
Cl3 Cl 0.91230(6) 0.15457(7) 0.37246(4) 0.02353(14) Uani 1 1 d . . . . .
Cl4 Cl 0.72571(7) 0.16380(7) 0.50528(4) 0.02415(14) Uani 1 1 d . . . . .
Cl10 Cl 0.62336(6) 0.85039(6) 0.37074(4) 0.01730(12) Uani 1 1 d . . . . .
Cl6 Cl 0.85061(6) 0.96172(6) 0.11128(4) 0.01932(13) Uani 1 1 d . . . . .
Cl7 Cl 0.61984(6) 0.69910(6) 0.02622(3) 0.02022(13) Uani 1 1 d . . . . .
Cl9 Cl 0.26376(6) 0.43062(6) 0.11056(3) 0.01789(12) Uani 1 1 d . . . . .
Cl8 Cl 0.15303(5) 0.45705(7) 0.27331(4) 0.02174(14) Uani 1 1 d . . . . .
N1 N 0.5502(2) 0.2622(2) 0.12137(12) 0.0161(4) Uani 1 1 d . . . . .
N2 N 0.67557(19) 0.1758(2) 0.17905(12) 0.0139(4) Uani 1 1 d . . . . .
N3 N 0.68190(18) 0.1179(2) 0.29635(12) 0.0135(4) Uani 1 1 d . . . . .
N4 N 0.56784(19) 0.1272(2) 0.37676(12) 0.0139(4) Uani 1 1 d . . . . .
N5 N 0.78774(19) 0.8437(2) 0.22511(12) 0.0137(4) Uani 1 1 d . . . . .
N6 N 0.64544(18) 0.67308(19) 0.17013(11) 0.0122(4) Uani 1 1 d . . . . .
N7 N 0.47068(18) 0.54954(19) 0.21096(11) 0.0111(4) Uani 1 1 d . . . . .
N8 N 0.40226(18) 0.56751(19) 0.31086(11) 0.0119(4) Uani 1 1 d . . . . .
C1 C 0.5570(2) 0.1841(2) 0.16811(13) 0.0131(5) Uani 1 1 d . . . . .
C2 C 0.6662(2) 0.3030(2) 0.10297(14) 0.0159(5) Uani 1 1 d . . . . .
C3 C 0.7454(2) 0.2523(2) 0.13797(14) 0.0151(5) Uani 1 1 d . . . . .
C4 C 0.7144(2) 0.0977(2) 0.22492(14) 0.0144(5) Uani 1 1 d . . . . .
H4A H 0.8054 0.1145 0.2297 0.017 Uiso 1 1 calc R U . . .
H4B H 0.6725 0.0127 0.2031 0.017 Uiso 1 1 calc R U . . .
C5 C 0.5631(2) 0.1097(2) 0.30400(13) 0.0121(4) Uani 1 1 d . . . . .
C7 C 0.7591(2) 0.1401(2) 0.36298(15) 0.0156(5) Uani 1 1 d . . . . .
C6 C 0.6876(2) 0.1453(2) 0.41316(14) 0.0160(5) Uani 1 1 d . . . . .
C8 C 0.4625(2) 0.1225(3) 0.41303(15) 0.0201(5) Uani 1 1 d . . . . .
H8A H 0.3925 0.1263 0.3777 0.030 Uiso 1 1 calc R U . . .
H8B H 0.4863 0.1910 0.4518 0.030 Uiso 1 1 calc R U . . .
H8C H 0.4378 0.0472 0.4340 0.030 Uiso 1 1 calc R U . . .
C9 C 0.2925(2) -0.0877(2) 0.23437(14) 0.0139(5) Uani 1 1 d . . . . .
C17 C 0.2216(2) -0.0117(2) 0.21791(14) 0.0135(5) Uani 1 1 d . . . . .
C15 C 0.2404(2) 0.0252(2) 0.14703(14) 0.0140(5) Uani 1 1 d . . . . .
C13 C 0.3205(2) -0.0322(2) 0.11998(14) 0.0147(5) Uani 1 1 d . . . . .
C11 C 0.3601(2) -0.0969(2) 0.17543(14) 0.0138(5) Uani 1 1 d . . . . .
C10 C 0.2966(2) -0.1545(3) 0.29852(15) 0.0181(5) Uani 1 1 d . . . . .
H10A H 0.2602 -0.1212 0.3362 0.027 Uiso 1 1 calc R U . . .
H10B H 0.3833 -0.1462 0.3180 0.027 Uiso 1 1 calc R U . . .
H10C H 0.2490 -0.2398 0.2834 0.027 Uiso 1 1 calc R U . . .
C18 C 0.1385(2) 0.0264(3) 0.26309(15) 0.0178(5) Uani 1 1 d . . . . .
H18A H 0.0513 -0.0192 0.2427 0.027 Uiso 1 1 calc R U . . .
H18B H 0.1516 0.1126 0.2630 0.027 Uiso 1 1 calc R U . . .
H18C H 0.1581 0.0106 0.3131 0.027 Uiso 1 1 calc R U . . .
C16 C 0.1790(2) 0.1027(3) 0.10743(15) 0.0192(5) Uani 1 1 d . . . . .
H16A H 0.2357 0.1499 0.0784 0.029 Uiso 1 1 calc R U . . .
H16B H 0.1589 0.1572 0.1427 0.029 Uiso 1 1 calc R U . . .
H16C H 0.1024 0.0517 0.0753 0.029 Uiso 1 1 calc R U . . .
C14 C 0.3575(3) -0.0278(3) 0.04655(15) 0.0213(6) Uani 1 1 d . . . . .
H14A H 0.2934 -0.0892 0.0110 0.032 Uiso 1 1 calc R U . . .
H14B H 0.4371 -0.0434 0.0485 0.032 Uiso 1 1 calc R U . . .
H14C H 0.3661 0.0519 0.0322 0.032 Uiso 1 1 calc R U . . .
C12 C 0.4346(2) -0.1806(3) 0.16761(17) 0.0204(5) Uani 1 1 d . . . . .
H12A H 0.3784 -0.2619 0.1482 0.031 Uiso 1 1 calc R U . . .
H12B H 0.4817 -0.1819 0.2153 0.031 Uiso 1 1 calc R U . . .
H12C H 0.4926 -0.1528 0.1342 0.031 Uiso 1 1 calc R U . . .
C19 C 0.7101(2) 0.7393(2) 0.23609(13) 0.0124(4) Uani 1 1 d . . . . .
C20 C 0.7709(2) 0.8426(2) 0.15117(14) 0.0138(5) Uani 1 1 d . . . . .
C21 C 0.6841(2) 0.7406(2) 0.11576(13) 0.0137(5) Uani 1 1 d . . . . .
C22 C 0.5583(2) 0.5527(2) 0.16141(14) 0.0140(5) Uani 1 1 d . . . . .
H22A H 0.6035 0.4949 0.1722 0.017 Uiso 1 1 calc R U . . .
H22B H 0.5129 0.5294 0.1106 0.017 Uiso 1 1 calc R U . . .
C23 C 0.5083(2) 0.5915(2) 0.28290(13) 0.0117(4) Uani 1 1 d . . . . .
C25 C 0.3426(2) 0.4984(2) 0.19411(13) 0.0123(4) Uani 1 1 d . . . . .
C24 C 0.3000(2) 0.5092(2) 0.25668(14) 0.0135(5) Uani 1 1 d . . . . .
C26 C 0.3934(2) 0.5928(3) 0.38727(14) 0.0180(5) Uani 1 1 d . . . . .
C27 C 0.7765(2) 0.5456(2) 0.34549(13) 0.0118(4) Uani 1 1 d . . . . .
C35 C 0.7189(2) 0.5530(2) 0.40929(13) 0.0121(4) Uani 1 1 d . . . . .
C33 C 0.7722(2) 0.6709(2) 0.44651(13) 0.0132(5) Uani 1 1 d . . . . .
C31 C 0.8661(2) 0.7389(2) 0.40741(14) 0.0142(5) Uani 1 1 d . . . . .
C29 C 0.8721(2) 0.6593(2) 0.34819(14) 0.0136(5) Uani 1 1 d . . . . .
C30 C 0.9626(2) 0.6868(3) 0.29685(16) 0.0208(6) Uani 1 1 d . . . . .
H30A H 0.9825 0.7716 0.2898 0.031 Uiso 1 1 calc R U . . .
H30B H 0.9256 0.6356 0.2500 0.031 Uiso 1 1 calc R U . . .
H30C H 1.0389 0.6710 0.3172 0.031 Uiso 1 1 calc R U . . .
C28 C 0.7570(2) 0.4325(2) 0.29611(15) 0.0172(5) Uani 1 1 d . . . . .
H28A H 0.7817 0.4525 0.2497 0.026 Uiso 1 1 calc R U . . .
H28B H 0.6688 0.3837 0.2876 0.026 Uiso 1 1 calc R U . . .
H28C H 0.8076 0.3870 0.3186 0.026 Uiso 1 1 calc R U . . .
C36 C 0.6239(2) 0.4491(2) 0.43083(14) 0.0165(5) Uani 1 1 d . . . . .
H36A H 0.6661 0.4004 0.4574 0.025 Uiso 1 1 calc R U . . .
H36B H 0.5684 0.3994 0.3871 0.025 Uiso 1 1 calc R U . . .
H36C H 0.5751 0.4794 0.4620 0.025 Uiso 1 1 calc R U . . .
C34 C 0.7429(3) 0.7214(3) 0.51549(14) 0.0197(5) Uani 1 1 d . . . . .
H34A H 0.6627 0.6694 0.5240 0.030 Uiso 1 1 calc R U . . .
H34B H 0.7385 0.8025 0.5113 0.030 Uiso 1 1 calc R U . . .
H34C H 0.8084 0.7255 0.5563 0.030 Uiso 1 1 calc R U . . .
C32 C 0.9448(2) 0.8676(3) 0.42957(16) 0.0208(6) Uani 1 1 d . . . . .
H32A H 1.0151 0.8725 0.4675 0.031 Uiso 1 1 calc R U . . .
H32B H 0.8947 0.9136 0.4483 0.031 Uiso 1 1 calc R U . . .
H32C H 0.9763 0.9010 0.3874 0.031 Uiso 1 1 calc R U . . .
C40A C -0.0079(5) 0.7164(6) 0.1070(3) 0.0261(12) Uiso 0.5 1 d D . P A 1
C40B C 0.0350(8) 0.6356(8) 0.0426(4) 0.049(2) Uiso 0.5 1 d D . P A 2
Cl40 Cl 0.08235(9) 0.62539(9) 0.13012(5) 0.0410(2) Uani 1 1 d D . . . .
Cl41 Cl -0.02060(12) 0.75206(11) 0.02458(6) 0.0605(3) Uani 1 1 d D . . . .
C50 C 0.0370(5) 0.5696(5) 0.5121(3) 0.0219(11) Uani 0.5 1 d . . P . .
Cl50 Cl 0.06876(9) 0.50268(13) 0.43888(6) 0.0570(3) Uani 1 1 d . . . . .
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'
N N 0.0061 0.0033 '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
C5 Rh1 C1 86.06(10) . .
C5 Rh1 C11 105.58(10) . .
C1 Rh1 C11 109.68(10) . .
C5 Rh1 C13 140.56(10) . .
C1 Rh1 C13 92.41(10) . .
C11 Rh1 C13 38.63(10) . .
C5 Rh1 C15 162.20(10) . .
C1 Rh1 C15 110.76(10) . .
C11 Rh1 C15 64.11(9) . .
C13 Rh1 C15 37.44(9) . .
C5 Rh1 C9 99.74(9) . .
C1 Rh1 C9 148.15(10) . .
C11 Rh1 C9 38.53(9) . .
C13 Rh1 C9 63.32(9) . .
C15 Rh1 C9 62.96(9) . .
C5 Rh1 C17 124.89(10) . .
C1 Rh1 C17 148.96(10) . .
C11 Rh1 C17 63.35(9) . .
C13 Rh1 C17 62.87(9) . .
C15 Rh1 C17 38.22(9) . .
C9 Rh1 C17 36.50(9) . .
C5 Rh1 Cl5 89.54(7) . .
C1 Rh1 Cl5 89.99(7) . .
C11 Rh1 Cl5 155.63(7) . .
C13 Rh1 Cl5 129.89(7) . .
C15 Rh1 Cl5 96.02(7) . .
C9 Rh1 Cl5 121.12(7) . .
C17 Rh1 Cl5 92.35(7) . .
C19 Rh2 C23 85.69(10) . .
C19 Rh2 C27 108.31(10) . .
C23 Rh2 C27 106.30(9) . .
C19 Rh2 C29 91.11(9) . .
C23 Rh2 C29 140.87(10) . .
C27 Rh2 C29 38.59(9) . .
C19 Rh2 C31 109.81(10) . .
C23 Rh2 C31 163.47(10) . .
C27 Rh2 C31 64.13(9) . .
C29 Rh2 C31 37.41(9) . .
C19 Rh2 C35 146.74(9) . .
C23 Rh2 C35 100.89(9) . .
C27 Rh2 C35 38.47(9) . .
C29 Rh2 C35 63.23(9) . .
C31 Rh2 C35 63.03(9) . .
C19 Rh2 C33 148.06(9) . .
C23 Rh2 C33 126.06(10) . .
C27 Rh2 C33 63.15(9) . .
C29 Rh2 C33 62.67(9) . .
C31 Rh2 C33 38.25(9) . .
C35 Rh2 C33 36.39(9) . .
C19 Rh2 Cl10 90.85(7) . .
C23 Rh2 Cl10 89.35(7) . .
C27 Rh2 Cl10 155.79(7) . .
C29 Rh2 Cl10 129.73(7) . .
C31 Rh2 Cl10 95.95(7) . .
C35 Rh2 Cl10 121.51(7) . .
C33 Rh2 Cl10 92.75(7) . .
C1 N1 C2 106.0(2) . .
C1 N2 C3 108.1(2) . .
C1 N2 C4 124.1(2) . .
C3 N2 C4 127.8(2) . .
C5 N3 C7 111.4(2) . .
C5 N3 C4 121.4(2) . .
C7 N3 C4 127.1(2) . .
C5 N4 C6 110.4(2) . .
C5 N4 C8 125.7(2) . .
C6 N4 C8 123.9(2) . .
C19 N5 C20 105.6(2) . .
C19 N6 C21 107.8(2) . .
C19 N6 C22 124.7(2) . .
C21 N6 C22 127.5(2) . .
C23 N7 C25 111.0(2) . .
C23 N7 C22 122.4(2) . .
C25 N7 C22 126.4(2) . .
C23 N8 C24 110.2(2) . .
C23 N8 C26 126.2(2) . .
C24 N8 C26 123.5(2) . .
N1 C1 N2 109.4(2) . .
N1 C1 Rh1 128.52(18) . .
N2 C1 Rh1 122.03(18) . .
C3 C2 N1 111.3(2) . .
C3 C2 Cl1 126.0(2) . .
N1 C2 Cl1 122.6(2) . .
C2 C3 N2 105.2(2) . .
C2 C3 Cl2 130.8(2) . .
N2 C3 Cl2 123.9(2) . .
N2 C4 N3 109.0(2) . .
N4 C5 N3 104.4(2) . .
N4 C5 Rh1 131.02(17) . .
N3 C5 Rh1 124.36(18) . .
C6 C7 N3 106.2(2) . .
C6 C7 Cl3 130.6(2) . .
N3 C7 Cl3 123.2(2) . .
C7 C6 N4 107.7(2) . .
C7 C6 Cl4 129.3(2) . .
N4 C6 Cl4 123.0(2) . .
C17 C9 C11 108.0(2) . .
C17 C9 C10 128.1(2) . .
C11 C9 C10 123.8(2) . .
C17 C9 Rh1 72.00(14) . .
C11 C9 Rh1 67.51(14) . .
C10 C9 Rh1 128.05(17) . .
C9 C17 C15 108.4(2) . .
C9 C17 C18 127.5(2) . .
C15 C17 C18 124.1(2) . .
C9 C17 Rh1 71.50(13) . .
C15 C17 Rh1 69.45(13) . .
C18 C17 Rh1 125.34(18) . .
C13 C15 C17 107.7(2) . .
C13 C15 C16 125.9(2) . .
C17 C15 C16 126.3(2) . .
C13 C15 Rh1 71.25(14) . .
C17 C15 Rh1 72.33(13) . .
C16 C15 Rh1 125.20(18) . .
C15 C13 C11 108.1(2) . .
C15 C13 C14 126.3(2) . .
C11 C13 C14 125.7(2) . .
C15 C13 Rh1 71.31(14) . .
C11 C13 Rh1 68.68(14) . .
C14 C13 Rh1 125.95(18) . .
C13 C11 C9 107.5(2) . .
C13 C11 C12 126.4(2) . .
C9 C11 C12 124.9(2) . .
C13 C11 Rh1 72.69(15) . .
C9 C11 Rh1 73.96(14) . .
C12 C11 Rh1 128.98(17) . .
N5 C19 N6 109.7(2) . .
N5 C19 Rh2 127.09(18) . .
N6 C19 Rh2 123.17(18) . .
C21 C20 N5 112.0(2) . .
C21 C20 Cl6 125.7(2) . .
N5 C20 Cl6 122.22(19) . .
C20 C21 N6 104.8(2) . .
C20 C21 Cl7 131.1(2) . .
N6 C21 Cl7 123.88(19) . .
N6 C22 N7 108.9(2) . .
N8 C23 N7 105.0(2) . .
N8 C23 Rh2 129.49(18) . .
N7 C23 Rh2 125.35(17) . .
C24 C25 N7 106.3(2) . .
C24 C25 Cl9 129.48(19) . .
N7 C25 Cl9 124.10(19) . .
C25 C24 N8 107.4(2) . .
C25 C24 Cl8 129.4(2) . .
N8 C24 Cl8 123.03(19) . .
C29 C27 C35 107.4(2) . .
C29 C27 C28 126.6(2) . .
C35 C27 C28 124.9(2) . .
C29 C27 Rh2 72.35(14) . .
C35 C27 Rh2 74.17(14) . .
C28 C27 Rh2 128.63(17) . .
C33 C35 C27 107.9(2) . .
C33 C35 C36 127.9(2) . .
C27 C35 C36 124.2(2) . .
C33 C35 Rh2 72.14(14) . .
C27 C35 Rh2 67.36(13) . .
C36 C35 Rh2 127.82(17) . .
C35 C33 C31 108.4(2) . .
C35 C33 C34 127.5(2) . .
C31 C33 C34 124.1(2) . .
C35 C33 Rh2 71.47(14) . .
C31 C33 Rh2 68.89(13) . .
C34 C33 Rh2 126.39(17) . .
C29 C31 C33 107.5(2) . .
C29 C31 C32 127.2(2) . .
C33 C31 C32 125.3(2) . .
C29 C31 Rh2 71.19(14) . .
C33 C31 Rh2 72.86(13) . .
C32 C31 Rh2 123.85(18) . .
C31 C29 C27 108.5(2) . .
C31 C29 C30 126.3(2) . .
C27 C29 C30 125.2(2) . .
C31 C29 Rh2 71.40(13) . .
C27 C29 Rh2 69.06(13) . .
C30 C29 Rh2 125.72(18) . .
Cl41 C40A Cl40 118.9(4) . .
Cl40 C40B Cl41 117.7(5) . .
C50 C50 Cl50 62.6(4) 2_566 .
C50 C50 Cl50 60.8(4) 2_566 2_566
Cl50 C50 Cl50 123.4(4) . 2_566
C50 Cl50 C50 56.6(4) . 2_566
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 C5 2.026(2) .
Rh1 C1 2.026(2) .
Rh1 C11 2.153(3) .
Rh1 C13 2.206(3) .
Rh1 C15 2.207(2) .
Rh1 C9 2.239(2) .
Rh1 C17 2.246(2) .
Rh1 Cl5 2.4076(7) .
Rh2 C19 2.011(2) .
Rh2 C23 2.026(2) .
Rh2 C27 2.157(2) .
Rh2 C29 2.201(2) .
Rh2 C31 2.203(2) .
Rh2 C35 2.249(2) .
Rh2 C33 2.257(2) .
Rh2 Cl10 2.4099(6) .
Cl1 C2 1.719(3) .
Cl2 C3 1.704(2) .
Cl3 C7 1.692(3) .
Cl4 C6 1.699(3) .
Cl6 C20 1.720(3) .
Cl7 C21 1.700(3) .
Cl9 C25 1.688(2) .
Cl8 C24 1.691(2) .
N1 C1 1.336(3) .
N1 C2 1.374(3) .
N2 C1 1.379(3) .
N2 C3 1.379(3) .
N2 C4 1.436(3) .
N3 C5 1.364(3) .
N3 C7 1.379(3) .
N3 C4 1.459(3) .
N4 C5 1.353(3) .
N4 C6 1.387(3) .
N4 C8 1.456(3) .
N5 C19 1.332(3) .
N5 C20 1.371(3) .
N6 C19 1.381(3) .
N6 C21 1.387(3) .
N6 C22 1.444(3) .
N7 C23 1.356(3) .
N7 C25 1.383(3) .
N7 C22 1.456(3) .
N8 C23 1.351(3) .
N8 C24 1.389(3) .
N8 C26 1.462(3) .
C2 C3 1.356(4) .
C7 C6 1.341(4) .
C9 C17 1.404(3) .
C9 C11 1.451(4) .
C9 C10 1.497(4) .
C17 C15 1.458(4) .
C17 C18 1.499(3) .
C15 C13 1.416(4) .
C15 C16 1.497(4) .
C13 C11 1.443(4) .
C13 C14 1.497(4) .
C11 C12 1.498(4) .
C20 C21 1.348(4) .
C25 C24 1.344(3) .
C27 C29 1.440(3) .
C27 C35 1.454(3) .
C27 C28 1.492(4) .
C35 C33 1.407(4) .
C35 C36 1.499(3) .
C33 C31 1.462(4) .
C33 C34 1.500(4) .
C31 C29 1.412(4) .
C31 C32 1.494(4) .
C29 C30 1.496(3) .
C40A Cl41 1.636(6) .
C40A Cl40 1.742(6) .
C40B Cl40 1.680(8) .
C40B Cl41 1.718(8) .
C50 C50 1.590(12) 2_566
C50 Cl50 1.663(6) .
C50 Cl50 1.691(6) 2_566
Cl50 C50 1.691(6) 2_566
