#------------------------------------------------------------------------------
#$Date: 2021-02-05 01:14:54 +0200 (Fri, 05 Feb 2021) $
#$Revision: 261674 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/59/7705982.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_7705982
loop_
_publ_author_name
'Cheng, Ming-Chuan'
'Lee, Gene-Hsiang'
'Lin, Tien-Sung'
'Liu, Yu-Chiao'
'Chiang, Ming-Hsi'
'Peng, Shie-Ming'
_publ_section_title
;
 A new series of heteronuclear metal strings,
 MRhRh(dpa)₄Cl₂ and
 MRhRhM(dpa)₄X₂, from the reactions of
 Rh₂(dpa)₄ with metal ions of group 7 to group 12.
;
_journal_issue                   2
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              520
_journal_page_last               534
_journal_paper_doi               10.1039/d0dt03311a
_journal_volume                  50
_journal_year                    2021
_chemical_formula_sum            'C44 H42 Cl2 Co N12 O Rh2'
_chemical_formula_weight         1090.54
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-09-21 deposited with the CCDC.	2020-12-03 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 98.6876(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.0245(2)
_cell_length_b                   15.7742(2)
_cell_length_c                   17.0123(3)
_cell_measurement_reflns_used    9733
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      1.80
_cell_volume                     4250.92(11)
_computing_cell_refinement       DENZO-SMN
_computing_data_collection       'NONIUS COLLECT'
_computing_data_reduction        DENZO-SMN
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'NONIUS KappaCCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0615
_diffrn_reflns_av_unetI/netI     0.0696
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            27811
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.500
_diffrn_reflns_theta_min         1.770
_exptl_absorpt_coefficient_mu    1.331
_exptl_absorpt_correction_T_max  0.777
_exptl_absorpt_correction_T_min  0.653
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SORTAV (Blessing, 1995)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.704
_exptl_crystal_description       block
_exptl_crystal_F_000             2196
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         1.121
_refine_diff_density_min         -1.722
_refine_diff_density_rms         0.130
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     568
_refine_ls_number_reflns         9733
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0926
_refine_ls_R_factor_gt           0.0475
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0739P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1179
_refine_ls_wR_factor_ref         0.1368
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6154
_reflns_number_total             9733
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt03311a2.cif
_cod_data_source_block           ic15397
_cod_depositor_comments
'Adding full bibliography for 7705966--7705984.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7705982
_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. 
;
_shelx_estimated_absorpt_t_min   0.653
_shelx_estimated_absorpt_t_max   0.777
loop_
_space_group_symop_operation_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_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 0.75373(2) 0.02050(2) 0.76022(2) 0.02820(11) Uani 1 1 d . . . . .
Rh2 Rh 0.6522(3) 0.0828(3) 0.8240(2) 0.0200(4) Uani 0.500(2) 1 d . . P A 1
Co1 Co 0.8661(6) -0.0510(7) 0.6930(7) 0.0216(5) Uani 0.500(2) 1 d . . P A 1
Rh2' Rh 0.8564(3) -0.0424(4) 0.6969(4) 0.0216(5) Uani 0.500(2) 1 d . . P A 2
Co1' Co 0.6464(6) 0.0899(6) 0.8353(4) 0.0200(4) Uani 0.500(2) 1 d . . P A 2
Cl1 Cl 0.96783(7) -0.11277(7) 0.62563(7) 0.0345(3) Uani 1 1 d . . . . .
Cl2 Cl 0.54365(7) 0.15697(7) 0.89398(7) 0.0357(3) Uani 1 1 d . . . . .
N1 N 0.8850(2) -0.1218(2) 0.7977(2) 0.0281(8) Uani 1 1 d . . . . .
N2 N 0.8110(2) -0.0257(2) 0.8651(2) 0.0256(8) Uani 1 1 d . . . . .
N3 N 0.7414(2) 0.0764(2) 0.9295(2) 0.0278(8) Uani 1 1 d . . . . .
N4 N 0.8212(2) 0.0447(2) 0.6062(2) 0.0283(8) Uani 1 1 d . . . . .
N5 N 0.6964(2) 0.0686(2) 0.6563(2) 0.0268(8) Uani 1 1 d . . . . .
N6 N 0.5764(2) 0.0812(2) 0.7160(2) 0.0277(8) Uani 1 1 d . . . . .
N7 N 0.7601(2) -0.1242(2) 0.6443(2) 0.0275(8) Uani 1 1 d . . . . .
N8 N 0.6822(2) -0.0845(2) 0.7428(2) 0.0274(8) Uani 1 1 d . . . . .
N9 N 0.6101(2) -0.0386(2) 0.8423(2) 0.0266(8) Uani 1 1 d . . . . .
N10 N 0.9404(2) 0.0453(2) 0.7577(2) 0.0275(8) Uani 1 1 d . . . . .
N11 N 0.8252(2) 0.1258(2) 0.7796(2) 0.0257(8) Uani 1 1 d . . . . .
N12 N 0.7042(2) 0.1995(2) 0.79741(19) 0.0271(8) Uani 1 1 d . . . . .
C1 C 0.9309(3) -0.1939(3) 0.7975(3) 0.0329(10) Uani 1 1 d . . . . .
H1 H 0.948580 -0.210234 0.748840 0.040 Uiso 1 1 calc R U . . .
C2 C 0.9536(3) -0.2448(3) 0.8622(3) 0.0386(11) Uani 1 1 d . . . . .
H2 H 0.988040 -0.293376 0.859560 0.046 Uiso 1 1 calc R U . . .
C3 C 0.9236(3) -0.2219(3) 0.9329(3) 0.0396(12) Uani 1 1 d . . . . .
H3 H 0.936557 -0.255962 0.979148 0.047 Uiso 1 1 calc R U . . .
C4 C 0.8768(3) -0.1518(3) 0.9345(3) 0.0338(11) Uani 1 1 d . . . . .
H4 H 0.855366 -0.137880 0.981982 0.041 Uiso 1 1 calc R U . . .
C5 C 0.8581(3) -0.0978(3) 0.8677(2) 0.0264(10) Uani 1 1 d . . . . .
C6 C 0.8099(3) 0.0241(3) 0.9316(2) 0.0284(10) Uani 1 1 d . . . . .
C7 C 0.8760(3) 0.0303(3) 0.9944(3) 0.0336(11) Uani 1 1 d . . . . .
H7 H 0.923545 -0.005876 0.995354 0.040 Uiso 1 1 calc R U . . .
C8 C 0.8744(3) 0.0869(3) 1.0548(3) 0.0424(12) Uani 1 1 d . . . . .
H8 H 0.920714 0.091483 1.096653 0.051 Uiso 1 1 calc R U . . .
C9 C 0.8033(3) 0.1378(3) 1.0537(3) 0.0425(12) Uani 1 1 d . . . . .
H9 H 0.798931 0.176576 1.095597 0.051 Uiso 1 1 calc R U . . .
C10 C 0.7398(3) 0.1303(3) 0.9906(3) 0.0353(11) Uani 1 1 d . . . . .
H10 H 0.691554 0.165392 0.989872 0.042 Uiso 1 1 calc R U . . .
C11 C 0.8760(3) 0.0651(3) 0.5548(3) 0.0350(11) Uani 1 1 d . . . . .
H11 H 0.929859 0.038602 0.561860 0.042 Uiso 1 1 calc R U . . .
C12 C 0.8573(3) 0.1215(3) 0.4938(3) 0.0373(12) Uani 1 1 d . . . . .
H12 H 0.896671 0.132998 0.458660 0.045 Uiso 1 1 calc R U . . .
C13 C 0.7800(3) 0.1615(3) 0.4844(3) 0.0374(11) Uani 1 1 d . . . . .
H13 H 0.764755 0.199943 0.441633 0.045 Uiso 1 1 calc R U . . .
C14 C 0.7250(3) 0.1454(3) 0.5372(3) 0.0359(11) Uani 1 1 d . . . . .
H14 H 0.672587 0.174628 0.532188 0.043 Uiso 1 1 calc R U . . .
C15 C 0.7456(3) 0.0866(3) 0.5980(3) 0.0287(10) Uani 1 1 d . . . . .
C16 C 0.6113(3) 0.0771(3) 0.6475(2) 0.0278(10) Uani 1 1 d . . . . .
C17 C 0.5556(3) 0.0758(3) 0.5743(3) 0.0366(11) Uani 1 1 d . . . . .
H17 H 0.578018 0.078237 0.525710 0.044 Uiso 1 1 calc R U . . .
C18 C 0.4699(3) 0.0713(3) 0.5725(3) 0.0397(12) Uani 1 1 d . . . . .
H18 H 0.433419 0.069842 0.523054 0.048 Uiso 1 1 calc R U . . .
C19 C 0.4365(3) 0.0687(3) 0.6432(3) 0.0414(12) Uani 1 1 d . . . . .
H19 H 0.377518 0.063035 0.643189 0.050 Uiso 1 1 calc R U . . .
C20 C 0.4918(3) 0.0745(3) 0.7133(3) 0.0340(11) Uani 1 1 d . . . . .
H20 H 0.469531 0.073926 0.762040 0.041 Uiso 1 1 calc R U . . .
C21 C 0.7650(3) -0.1644(3) 0.5744(3) 0.0339(11) Uani 1 1 d . . . . .
H21 H 0.816218 -0.159615 0.553015 0.041 Uiso 1 1 calc R U . . .
C22 C 0.7016(3) -0.2108(3) 0.5330(3) 0.0353(11) Uani 1 1 d . . . . .
H22 H 0.709135 -0.239164 0.485292 0.042 Uiso 1 1 calc R U . . .
C23 C 0.6257(3) -0.2156(3) 0.5626(3) 0.0355(11) Uani 1 1 d . . . . .
H23 H 0.579866 -0.246873 0.534738 0.043 Uiso 1 1 calc R U . . .
C24 C 0.6171(3) -0.1752(3) 0.6319(2) 0.0312(10) Uani 1 1 d . . . . .
H24 H 0.564768 -0.177430 0.651764 0.037 Uiso 1 1 calc R U . . .
C25 C 0.6854(3) -0.1302(3) 0.6740(2) 0.0251(9) Uani 1 1 d . . . . .
C26 C 0.6276(3) -0.1027(3) 0.7955(2) 0.0268(10) Uani 1 1 d . . . . .
C27 C 0.5946(3) -0.1845(3) 0.8052(3) 0.0336(11) Uani 1 1 d . . . . .
H27 H 0.609031 -0.230196 0.773443 0.040 Uiso 1 1 calc R U . . .
C28 C 0.5417(3) -0.1982(3) 0.8607(3) 0.0344(11) Uani 1 1 d . . . . .
H28 H 0.517925 -0.252674 0.866156 0.041 Uiso 1 1 calc R U . . .
C29 C 0.5236(3) -0.1313(3) 0.9084(3) 0.0355(11) Uani 1 1 d . . . . .
H29 H 0.487231 -0.139057 0.947073 0.043 Uiso 1 1 calc R U . . .
C30 C 0.5586(3) -0.0552(3) 0.8986(3) 0.0328(11) Uani 1 1 d . . . . .
H30 H 0.547221 -0.010179 0.932525 0.039 Uiso 1 1 calc R U . . .
C31 C 1.0241(3) 0.0298(3) 0.7704(3) 0.0325(11) Uani 1 1 d . . . . .
H31 H 1.044357 -0.019084 0.746666 0.039 Uiso 1 1 calc R U . . .
C32 C 1.0817(3) 0.0812(3) 0.8159(3) 0.0376(12) Uani 1 1 d . . . . .
H32 H 1.140335 0.068539 0.823454 0.045 Uiso 1 1 calc R U . . .
C33 C 1.0514(3) 0.1519(3) 0.8501(3) 0.0367(11) Uani 1 1 d . . . . .
H33 H 1.089583 0.188800 0.881689 0.044 Uiso 1 1 calc R U . . .
C34 C 0.9668(3) 0.1694(3) 0.8390(3) 0.0320(10) Uani 1 1 d . . . . .
H34 H 0.946191 0.217313 0.863906 0.038 Uiso 1 1 calc R U . . .
C35 C 0.9110(3) 0.1162(3) 0.7909(2) 0.0255(9) Uani 1 1 d . . . . .
C36 C 0.7861(3) 0.2025(3) 0.7817(2) 0.0257(9) Uani 1 1 d . . . . .
C37 C 0.8200(3) 0.2813(3) 0.7641(3) 0.0337(11) Uani 1 1 d . . . . .
H37 H 0.876844 0.284428 0.754685 0.040 Uiso 1 1 calc R U . . .
C38 C 0.7728(3) 0.3526(3) 0.7604(3) 0.0379(11) Uani 1 1 d . . . . .
H38 H 0.797041 0.405491 0.749413 0.045 Uiso 1 1 calc R U . . .
C39 C 0.6891(3) 0.3489(3) 0.7725(3) 0.0374(11) Uani 1 1 d . . . . .
H39 H 0.654424 0.398067 0.768694 0.045 Uiso 1 1 calc R U . . .
C40 C 0.6590(3) 0.2719(3) 0.7900(3) 0.0349(11) Uani 1 1 d . . . . .
H40 H 0.601550 0.268697 0.797626 0.042 Uiso 1 1 calc R U . . .
O1 O 0.7346(2) 0.5670(2) 0.75070(19) 0.0416(8) Uani 1 1 d . . . . .
C41 C 0.6697(3) 0.5509(4) 0.6167(3) 0.0520(14) Uani 1 1 d . . . . .
H41A H 0.719913 0.528524 0.597493 0.078 Uiso 1 1 calc R U . . .
H41B H 0.633911 0.580152 0.573223 0.078 Uiso 1 1 calc R U . . .
H41C H 0.637956 0.504120 0.635966 0.078 Uiso 1 1 calc R U . . .
C42 C 0.6961(3) 0.6125(3) 0.6838(3) 0.0431(13) Uani 1 1 d . . . . .
H42A H 0.736264 0.654485 0.667675 0.052 Uiso 1 1 calc R U . . .
H42B H 0.646162 0.643402 0.696794 0.052 Uiso 1 1 calc R U . . .
C43 C 0.7727(3) 0.6201(3) 0.8129(3) 0.0478(13) Uani 1 1 d . . . . .
H43A H 0.729379 0.656115 0.832100 0.057 Uiso 1 1 calc R U . . .
H43B H 0.814781 0.657562 0.793428 0.057 Uiso 1 1 calc R U . . .
C44 C 0.8146(3) 0.5657(4) 0.8786(3) 0.0470(13) Uani 1 1 d . . . . .
H44A H 0.772548 0.528963 0.897513 0.071 Uiso 1 1 calc R U . . .
H44B H 0.841193 0.601598 0.922370 0.071 Uiso 1 1 calc R U . . .
H44C H 0.857796 0.530761 0.859189 0.071 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 0.0033 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'
O O 0.0106 0.0060 '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'
Co Co 0.3494 0.9721 '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
N8 Rh1 N5 90.38(14) . . ?
N8 Rh1 N2 90.35(14) . . ?
N5 Rh1 N2 179.02(14) . . ?
N8 Rh1 N11 179.04(13) . . ?
N5 Rh1 N11 90.33(14) . . ?
N2 Rh1 N11 88.93(14) . . ?
N8 Rh1 Rh2 89.59(16) . . ?
N5 Rh1 Rh2 89.56(16) . . ?
N2 Rh1 Rh2 89.80(16) . . ?
N11 Rh1 Rh2 89.76(16) . . ?
N8 Rh1 Rh2' 90.46(19) . . ?
N5 Rh1 Rh2' 90.86(19) . . ?
N2 Rh1 Rh2' 89.79(19) . . ?
N11 Rh1 Rh2' 90.19(19) . . ?
N8 Rh1 Co1' 90.8(2) . . ?
N5 Rh1 Co1' 91.5(2) . . ?
N2 Rh1 Co1' 87.9(2) . . ?
N11 Rh1 Co1' 88.5(2) . . ?
Rh2' Rh1 Co1' 177.4(3) . . ?
N8 Rh1 Co1 89.7(3) . . ?
N5 Rh1 Co1 91.9(3) . . ?
N2 Rh1 Co1 88.8(3) . . ?
N11 Rh1 Co1 90.9(3) . . ?
Rh2 Rh1 Co1 178.4(3) . . ?
N6 Rh2 N9 87.8(2) . . ?
N6 Rh2 N12 91.0(2) . . ?
N9 Rh2 N12 173.4(2) . . ?
N6 Rh2 N3 173.2(2) . . ?
N9 Rh2 N3 91.3(2) . . ?
N12 Rh2 N3 89.2(2) . . ?
N6 Rh2 Rh1 86.40(15) . . ?
N9 Rh2 Rh1 86.88(18) . . ?
N12 Rh2 Rh1 86.60(18) . . ?
N3 Rh2 Rh1 86.8(2) . . ?
N6 Rh2 Cl2 94.1(2) . . ?
N9 Rh2 Cl2 95.43(19) . . ?
N12 Rh2 Cl2 91.10(18) . . ?
N3 Rh2 Cl2 92.71(15) . . ?
Rh1 Rh2 Cl2 177.7(3) . . ?
N7 Co1 N1 92.6(5) . . ?
N7 Co1 N4 87.1(4) . . ?
N1 Co1 N4 161.7(4) . . ?
N7 Co1 N10 160.6(4) . . ?
N1 Co1 N10 86.7(5) . . ?
N4 Co1 N10 87.6(5) . . ?
N7 Co1 Cl1 99.1(4) . . ?
N1 Co1 Cl1 100.0(4) . . ?
N4 Co1 Cl1 98.1(4) . . ?
N10 Co1 Cl1 100.0(4) . . ?
N7 Co1 Rh1 80.6(3) . . ?
N1 Co1 Rh1 82.8(3) . . ?
N4 Co1 Rh1 79.1(3) . . ?
N10 Co1 Rh1 80.2(3) . . ?
Cl1 Co1 Rh1 177.2(6) . . ?
N10 Rh2' N4 90.7(3) . . ?
N10 Rh2' N1 86.9(3) . . ?
N4 Rh2' N1 173.3(3) . . ?
N10 Rh2' N7 172.5(3) . . ?
N4 Rh2' N7 89.5(3) . . ?
N1 Rh2' N7 92.1(3) . . ?
N10 Rh2' Rh1 86.3(2) . . ?
N4 Rh2' Rh1 86.0(2) . . ?
N1 Rh2' Rh1 87.6(2) . . ?
N7 Rh2' Rh1 86.2(2) . . ?
N10 Rh2' Cl1 94.5(2) . . ?
N4 Rh2' Cl1 93.7(2) . . ?
N1 Rh2' Cl1 92.6(2) . . ?
N7 Rh2' Cl1 93.0(2) . . ?
Rh1 Rh2' Cl1 179.1(3) . . ?
N3 Co1' N12 90.9(4) . . ?
N3 Co1' N9 91.9(4) . . ?
N12 Co1' N9 160.0(3) . . ?
N3 Co1' N6 160.6(4) . . ?
N12 Co1' N6 87.4(4) . . ?
N9 Co1' N6 83.4(3) . . ?
N3 Co1' Cl2 101.8(3) . . ?
N12 Co1' Cl2 97.6(3) . . ?
N9 Co1' Cl2 101.3(3) . . ?
N6 Co1' Cl2 97.6(4) . . ?
N3 Co1' Rh1 82.5(3) . . ?
N12 Co1' Rh1 80.6(3) . . ?
N9 Co1' Rh1 80.1(3) . . ?
N6 Co1' Rh1 78.2(2) . . ?
Cl2 Co1' Rh1 175.5(4) . . ?
C1 N1 C5 118.2(4) . . ?
C1 N1 Rh2' 123.1(3) . . ?
C5 N1 Rh2' 118.6(3) . . ?
C1 N1 Co1 117.1(4) . . ?
C5 N1 Co1 124.5(4) . . ?
C5 N2 C6 121.6(4) . . ?
C5 N2 Rh1 120.5(3) . . ?
C6 N2 Rh1 117.4(3) . . ?
C10 N3 C6 118.0(4) . . ?
C10 N3 Co1' 116.1(4) . . ?
C6 N3 Co1' 125.5(3) . . ?
C10 N3 Rh2 122.3(3) . . ?
C6 N3 Rh2 119.0(3) . . ?
C11 N4 C15 117.7(4) . . ?
C11 N4 Rh2' 120.1(3) . . ?
C15 N4 Rh2' 122.1(3) . . ?
C11 N4 Co1 115.0(4) . . ?
C15 N4 Co1 127.4(4) . . ?
C16 N5 C15 124.9(4) . . ?
C16 N5 Rh1 116.9(3) . . ?
C15 N5 Rh1 118.2(3) . . ?
C20 N6 C16 120.3(4) . . ?
C20 N6 Rh2 119.1(3) . . ?
C16 N6 Rh2 120.2(3) . . ?
C20 N6 Co1' 114.1(3) . . ?
C16 N6 Co1' 125.4(3) . . ?
C21 N7 C25 117.3(4) . . ?
C21 N7 Co1 116.6(4) . . ?
C25 N7 Co1 126.0(4) . . ?
C21 N7 Rh2' 121.4(3) . . ?
C25 N7 Rh2' 120.7(3) . . ?
C26 N8 C25 123.5(4) . . ?
C26 N8 Rh1 118.8(3) . . ?
C25 N8 Rh1 117.5(3) . . ?
C26 N9 C30 118.0(4) . . ?
C26 N9 Rh2 120.4(3) . . ?
C30 N9 Rh2 121.5(3) . . ?
C26 N9 Co1' 127.2(3) . . ?
C30 N9 Co1' 114.7(3) . . ?
C31 N10 C35 118.6(4) . . ?
C31 N10 Rh2' 120.6(3) . . ?
C35 N10 Rh2' 120.6(3) . . ?
C31 N10 Co1 114.7(4) . . ?
C35 N10 Co1 126.6(3) . . ?
C36 N11 C35 123.3(4) . . ?
C36 N11 Rh1 118.9(3) . . ?
C35 N11 Rh1 117.8(3) . . ?
C40 N12 C36 117.8(4) . . ?
C40 N12 Co1' 117.9(3) . . ?
C36 N12 Co1' 124.3(4) . . ?
C40 N12 Rh2 122.6(3) . . ?
C36 N12 Rh2 119.5(3) . . ?
N1 C1 C2 124.7(4) . . ?
C1 C2 C3 117.0(4) . . ?
C4 C3 C2 119.6(4) . . ?
C3 C4 C5 122.1(4) . . ?
N2 C5 N1 116.4(4) . . ?
N2 C5 C4 125.3(4) . . ?
N1 C5 C4 118.2(4) . . ?
N3 C6 N2 115.6(4) . . ?
N3 C6 C7 119.5(4) . . ?
N2 C6 C7 124.6(4) . . ?
C8 C7 C6 121.8(5) . . ?
C7 C8 C9 118.4(5) . . ?
C10 C9 C8 118.1(4) . . ?
N3 C10 C9 124.2(5) . . ?
C12 C11 N4 123.4(4) . . ?
C11 C12 C13 118.5(4) . . ?
C14 C13 C12 119.6(4) . . ?
C13 C14 C15 120.3(4) . . ?
N4 C15 N5 114.7(4) . . ?
N4 C15 C14 120.4(4) . . ?
N5 C15 C14 124.8(4) . . ?
N5 C16 N6 116.4(4) . . ?
N5 C16 C17 125.8(4) . . ?
N6 C16 C17 117.7(4) . . ?
C18 C17 C16 121.0(4) . . ?
C17 C18 C19 119.9(5) . . ?
C20 C19 C18 117.9(4) . . ?
N6 C20 C19 122.9(4) . . ?
C22 C21 N7 124.6(4) . . ?
C21 C22 C23 117.9(4) . . ?
C24 C23 C22 119.8(4) . . ?
C23 C24 C25 120.1(4) . . ?
N7 C25 N8 115.0(4) . . ?
N7 C25 C24 120.2(4) . . ?
N8 C25 C24 124.6(4) . . ?
N9 C26 N8 116.1(4) . . ?
N9 C26 C27 120.2(4) . . ?
N8 C26 C27 123.6(4) . . ?
C28 C27 C26 120.2(4) . . ?
C27 C28 C29 119.1(4) . . ?
C30 C29 C28 118.5(4) . . ?
C29 C30 N9 124.0(4) . . ?
N10 C31 C32 123.3(4) . . ?
C31 C32 C33 117.7(4) . . ?
C34 C33 C32 120.6(4) . . ?
C33 C34 C35 119.6(4) . . ?
N11 C35 N10 115.6(4) . . ?
N11 C35 C34 123.9(4) . . ?
N10 C35 C34 120.2(4) . . ?
N11 C36 N12 115.3(4) . . ?
N11 C36 C37 125.7(4) . . ?
N12 C36 C37 118.8(4) . . ?
C38 C37 C36 121.0(4) . . ?
C37 C38 C39 120.2(4) . . ?
C40 C39 C38 117.0(4) . . ?
N12 C40 C39 125.1(4) . . ?
C42 O1 C43 112.9(4) . . ?
O1 C42 C41 108.8(4) . . ?
O1 C43 C44 108.4(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 N8 2.010(3) . ?
Rh1 N5 2.014(3) . ?
Rh1 N2 2.015(3) . ?
Rh1 N11 2.015(3) . ?
Rh1 Rh2 2.307(3) . ?
Rh1 Rh2' 2.321(4) . ?
Rh1 Co1' 2.540(6) . ?
Rh1 Co1 2.539(8) . ?
Rh2 N6 2.045(6) . ?
Rh2 N9 2.069(6) . ?
Rh2 N12 2.098(6) . ?
Rh2 N3 2.121(6) . ?
Rh2 Cl2 2.537(4) . ?
Co1 N7 2.117(12) . ?
Co1 N1 2.086(12) . ?
Co1 N4 2.157(12) . ?
Co1 N10 2.130(12) . ?
Co1 Cl1 2.341(8) . ?
Rh2' N10 2.092(8) . ?
Rh2' N4 2.079(7) . ?
Rh2' N1 2.117(8) . ?
Rh2' N7 2.104(8) . ?
Rh2' Cl1 2.558(4) . ?
Co1' N3 2.049(10) . ?
Co1' N12 2.108(10) . ?
Co1' N9 2.117(10) . ?
Co1' N6 2.170(9) . ?
Co1' Cl2 2.307(6) . ?
N1 C1 1.354(5) . ?
N1 C5 1.380(5) . ?
N2 C5 1.362(5) . ?
N2 C6 1.379(5) . ?
N3 C10 1.346(5) . ?
N3 C6 1.369(5) . ?
N4 C11 1.368(5) . ?
N4 C15 1.369(5) . ?
N5 C16 1.356(5) . ?
N5 C15 1.387(5) . ?
N6 C20 1.353(5) . ?
N6 C16 1.368(5) . ?
N7 C21 1.361(5) . ?
N7 C25 1.371(5) . ?
N8 C26 1.374(5) . ?
N8 C25 1.382(5) . ?
N9 C26 1.342(5) . ?
N9 C30 1.381(5) . ?
N10 C31 1.349(5) . ?
N10 C35 1.369(5) . ?
N11 C36 1.366(5) . ?
N11 C35 1.368(5) . ?
N12 C40 1.348(5) . ?
N12 C36 1.379(5) . ?
C1 C2 1.366(6) . ?
C2 C3 1.408(6) . ?
C3 C4 1.339(6) . ?
C4 C5 1.415(6) . ?
C6 C7 1.390(6) . ?
C7 C8 1.365(6) . ?
C8 C9 1.391(7) . ?
C9 C10 1.367(7) . ?
C11 C12 1.366(6) . ?
C12 C13 1.378(6) . ?
C13 C14 1.373(6) . ?
C14 C15 1.392(6) . ?
C16 C17 1.418(6) . ?
C17 C18 1.371(6) . ?
C18 C19 1.388(7) . ?
C19 C20 1.377(7) . ?
C21 C22 1.359(6) . ?
C22 C23 1.387(6) . ?
C23 C24 1.366(6) . ?
C24 C25 1.407(6) . ?
C26 C27 1.414(6) . ?
C27 C28 1.377(6) . ?
C28 C29 1.389(6) . ?
C29 C30 1.346(6) . ?
C31 C32 1.376(6) . ?
C32 C33 1.380(7) . ?
C33 C34 1.367(6) . ?
C34 C35 1.397(6) . ?
C36 C37 1.407(6) . ?
C37 C38 1.351(6) . ?
C38 C39 1.390(7) . ?
C39 C40 1.357(6) . ?
O1 C42 1.407(6) . ?
O1 C43 1.413(6) . ?
C41 C42 1.510(7) . ?
C43 C44 1.487(7) . ?
