#------------------------------------------------------------------------------
#$Date: 2021-02-05 01:14:54 +0200 (Fri, 05 Feb 2021) $
#$Revision: 261674 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/59/7705973.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_7705973
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 Mn N12 O Rh2'
_chemical_formula_weight         1086.55
_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                 98.5713(12)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.0445(8)
_cell_length_b                   15.7818(8)
_cell_length_c                   17.0632(9)
_cell_measurement_reflns_used    8247
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.46
_cell_measurement_theta_min      2.29
_cell_volume                     4272.3(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'BRUKER SMART APEXCCD area detector'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0397
_diffrn_reflns_av_unetI/netI     0.0375
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            32563
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.500
_diffrn_reflns_theta_min         1.283
_exptl_absorpt_coefficient_mu    1.232
_exptl_absorpt_correction_T_max  0.7437
_exptl_absorpt_correction_T_min  0.6243
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            'Olive green'
_exptl_crystal_density_diffrn    1.689
_exptl_crystal_density_meas      ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2188
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.280
_exptl_crystal_size_min          0.150
_refine_diff_density_max         0.954
_refine_diff_density_min         -0.988
_refine_diff_density_rms         0.107
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.220
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     568
_refine_ls_number_reflns         9815
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.220
_refine_ls_R_factor_all          0.0619
_refine_ls_R_factor_gt           0.0551
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0107P)²+24.4128P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1119
_refine_ls_wR_factor_ref         0.1146
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8822
_reflns_number_total             9815
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt03311a2.cif
_cod_data_source_block           ic17221
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_crystal_density_meas' value 'not_measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7705966--7705984.cif.
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7705973
_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   0.724
_shelx_estimated_absorpt_t_max   0.837
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 0.75392(2) 0.01870(2) 0.75968(2) 0.01300(8) Uani 1 1 d . . . . .
Rh2 Rh 0.65156(10) 0.08029(10) 0.82559(9) 0.0139(2) Uani 0.600(3) 1 d . . P A 1
Mn1 Mn 0.8683(5) -0.0525(5) 0.6864(5) 0.0160(6) Uani 0.600(3) 1 d . . P A 1
Rh2' Rh 0.8571(4) -0.0422(4) 0.6953(4) 0.0160(6) Uani 0.400(3) 1 d . . P A 2
Mn1' Mn 0.6428(4) 0.0917(3) 0.8380(3) 0.0139(2) Uani 0.400(3) 1 d . . P A 2
Cl1 Cl 0.96996(8) -0.11249(8) 0.62092(8) 0.0286(3) Uani 1 1 d . . . . .
Cl2 Cl 0.54399(8) 0.15541(9) 0.89739(8) 0.0316(3) Uani 1 1 d . . . . .
N1 N 0.8866(2) -0.1233(2) 0.7977(2) 0.0201(8) Uani 1 1 d . . . . .
N2 N 0.8123(2) -0.0292(2) 0.8644(2) 0.0163(8) Uani 1 1 d . . . . .
N3 N 0.7438(3) 0.0727(2) 0.9303(2) 0.0205(8) Uani 1 1 d . . . . .
N4 N 0.8180(2) 0.0483(2) 0.6035(2) 0.0185(8) Uani 1 1 d . . . . .
N5 N 0.6948(2) 0.0685(2) 0.6564(2) 0.0158(8) Uani 1 1 d . . . . .
N6 N 0.5758(2) 0.0782(2) 0.7167(2) 0.0165(8) Uani 1 1 d . . . . .
N7 N 0.7573(2) -0.1265(2) 0.6421(2) 0.0187(8) Uani 1 1 d . . . . .
N8 N 0.6817(2) -0.0865(2) 0.7415(2) 0.0153(7) Uani 1 1 d . . . . .
N9 N 0.6094(2) -0.0426(2) 0.8421(2) 0.0160(8) Uani 1 1 d . . . . .
N10 N 0.9413(2) 0.0478(2) 0.7575(2) 0.0188(8) Uani 1 1 d . . . . .
N11 N 0.8246(2) 0.1247(2) 0.7793(2) 0.0169(8) Uani 1 1 d . . . . .
N12 N 0.7038(2) 0.1985(2) 0.7965(2) 0.0189(8) Uani 1 1 d . . . . .
C1 C 0.9329(3) -0.1947(3) 0.7971(3) 0.0282(11) Uani 1 1 d . . . . .
H1 H 0.951157 -0.210526 0.748714 0.034 Uiso 1 1 calc R U . . .
C2 C 0.9551(3) -0.2454(3) 0.8615(4) 0.0335(13) Uani 1 1 d . . . . .
H2 H 0.990047 -0.293565 0.858601 0.040 Uiso 1 1 calc R U . . .
C3 C 0.9254(4) -0.2247(3) 0.9312(4) 0.0343(13) Uani 1 1 d . . . . .
H3 H 0.938243 -0.259581 0.976789 0.041 Uiso 1 1 calc R U . . .
C4 C 0.8774(3) -0.1538(3) 0.9335(3) 0.0270(11) Uani 1 1 d . . . . .
H4 H 0.855690 -0.139830 0.980740 0.032 Uiso 1 1 calc R U . . .
C5 C 0.8596(3) -0.1009(3) 0.8662(3) 0.0185(9) Uani 1 1 d . . . . .
C6 C 0.8115(3) 0.0207(3) 0.9302(3) 0.0195(9) Uani 1 1 d . . . . .
C7 C 0.8793(4) 0.0266(3) 0.9925(3) 0.0286(11) Uani 1 1 d . . . . .
H7 H 0.927213 -0.008862 0.992637 0.034 Uiso 1 1 calc R U . . .
C8 C 0.8768(4) 0.0831(4) 1.0529(3) 0.0388(15) Uani 1 1 d . . . . .
H8 H 0.922909 0.087111 1.094710 0.047 Uiso 1 1 calc R U . . .
C9 C 0.8072(5) 0.1339(4) 1.0529(3) 0.0408(15) Uani 1 1 d . . . . .
H9 H 0.804298 0.173345 1.094523 0.049 Uiso 1 1 calc R U . . .
C10 C 0.7424(4) 0.1263(3) 0.9916(3) 0.0299(12) Uani 1 1 d . . . . .
H10 H 0.693812 0.160590 0.992244 0.036 Uiso 1 1 calc R U . . .
C11 C 0.8697(3) 0.0683(3) 0.5503(3) 0.0258(11) Uani 1 1 d . . . . .
H11 H 0.923297 0.041550 0.555328 0.031 Uiso 1 1 calc R U . . .
C12 C 0.8492(4) 0.1250(3) 0.4898(3) 0.0302(12) Uani 1 1 d . . . . .
H12 H 0.886736 0.135971 0.452860 0.036 Uiso 1 1 calc R U . . .
C13 C 0.7723(4) 0.1657(3) 0.4838(3) 0.0285(11) Uani 1 1 d . . . . .
H13 H 0.755997 0.205314 0.442412 0.034 Uiso 1 1 calc R U . . .
C14 C 0.7197(3) 0.1486(3) 0.5383(3) 0.0229(10) Uani 1 1 d . . . . .
H14 H 0.667505 0.177721 0.535404 0.027 Uiso 1 1 calc R U . . .
C15 C 0.7422(3) 0.0882(3) 0.5983(3) 0.0177(9) Uani 1 1 d . . . . .
C16 C 0.6096(3) 0.0761(3) 0.6471(3) 0.0170(9) Uani 1 1 d . . . . .
C17 C 0.5542(3) 0.0748(3) 0.5749(3) 0.0223(10) Uani 1 1 d . . . . .
H17 H 0.576220 0.077315 0.526266 0.027 Uiso 1 1 calc R U . . .
C18 C 0.4694(3) 0.0699(3) 0.5739(3) 0.0258(11) Uani 1 1 d . . . . .
H18 H 0.432548 0.069358 0.524880 0.031 Uiso 1 1 calc R U . . .
C19 C 0.4366(3) 0.0657(3) 0.6448(3) 0.0295(12) Uani 1 1 d . . . . .
H19 H 0.377709 0.059513 0.644954 0.035 Uiso 1 1 calc R U . . .
C20 C 0.4911(3) 0.0707(3) 0.7141(3) 0.0248(11) Uani 1 1 d . . . . .
H20 H 0.468802 0.068809 0.762648 0.030 Uiso 1 1 calc R U . . .
C21 C 0.7617(3) -0.1659(3) 0.5725(3) 0.0263(11) Uani 1 1 d . . . . .
H21 H 0.812925 -0.161484 0.551107 0.032 Uiso 1 1 calc R U . . .
C22 C 0.6976(4) -0.2116(3) 0.5309(3) 0.0283(11) Uani 1 1 d . . . . .
H22 H 0.704578 -0.240025 0.483200 0.034 Uiso 1 1 calc R U . . .
C23 C 0.6219(4) -0.2149(3) 0.5609(3) 0.0265(11) Uani 1 1 d . . . . .
H23 H 0.575323 -0.244945 0.533199 0.032 Uiso 1 1 calc R U . . .
C24 C 0.6147(3) -0.1746(3) 0.6310(3) 0.0221(10) Uani 1 1 d . . . . .
H24 H 0.562641 -0.176076 0.651170 0.027 Uiso 1 1 calc R U . . .
C25 C 0.6838(3) -0.1313(3) 0.6727(3) 0.0157(9) Uani 1 1 d . . . . .
C26 C 0.6273(3) -0.1066(3) 0.7935(3) 0.0154(9) Uani 1 1 d . . . . .
C27 C 0.5936(3) -0.1875(3) 0.8025(3) 0.0204(10) Uani 1 1 d . . . . .
H27 H 0.607533 -0.232934 0.770218 0.024 Uiso 1 1 calc R U . . .
C28 C 0.5409(3) -0.2017(3) 0.8571(3) 0.0256(11) Uani 1 1 d . . . . .
H28 H 0.516960 -0.256194 0.861492 0.031 Uiso 1 1 calc R U . . .
C29 C 0.5224(3) -0.1365(3) 0.9062(3) 0.0256(11) Uani 1 1 d . . . . .
H29 H 0.485415 -0.145093 0.944081 0.031 Uiso 1 1 calc R U . . .
C30 C 0.5593(3) -0.0596(3) 0.8982(3) 0.0246(10) Uani 1 1 d . . . . .
H30 H 0.549451 -0.015512 0.933622 0.030 Uiso 1 1 calc R U . . .
C31 C 1.0251(3) 0.0332(3) 0.7717(3) 0.0268(11) Uani 1 1 d . . . . .
H31 H 1.046288 -0.015544 0.748674 0.032 Uiso 1 1 calc R U . . .
C32 C 1.0812(3) 0.0848(4) 0.8174(3) 0.0315(12) Uani 1 1 d . . . . .
H32 H 1.139918 0.073214 0.824490 0.038 Uiso 1 1 calc R U . . .
C33 C 1.0501(3) 0.1543(4) 0.8528(3) 0.0302(12) Uani 1 1 d . . . . .
H33 H 1.087408 0.191055 0.885205 0.036 Uiso 1 1 calc R U . . .
C34 C 0.9651(3) 0.1699(3) 0.8411(3) 0.0241(10) Uani 1 1 d . . . . .
H34 H 0.943374 0.217078 0.866157 0.029 Uiso 1 1 calc R U . . .
C35 C 0.9100(3) 0.1161(3) 0.7919(3) 0.0177(9) Uani 1 1 d . . . . .
C36 C 0.7843(3) 0.2017(3) 0.7814(3) 0.0177(9) Uani 1 1 d . . . . .
C37 C 0.8200(3) 0.2799(3) 0.7639(3) 0.0247(10) Uani 1 1 d . . . . .
H37 H 0.876991 0.282462 0.755012 0.030 Uiso 1 1 calc R U . . .
C38 C 0.7723(4) 0.3522(3) 0.7597(3) 0.0303(12) Uani 1 1 d . . . . .
H38 H 0.796359 0.405180 0.748956 0.036 Uiso 1 1 calc R U . . .
C39 C 0.6885(4) 0.3476(3) 0.7714(3) 0.0329(13) Uani 1 1 d . . . . .
H39 H 0.653704 0.396530 0.766982 0.040 Uiso 1 1 calc R U . . .
C40 C 0.6579(3) 0.2707(3) 0.7894(3) 0.0274(11) Uani 1 1 d . . . . .
H40 H 0.600663 0.267571 0.797412 0.033 Uiso 1 1 calc R U . . .
O1 O 0.7347(2) 0.5665(2) 0.7485(2) 0.0269(8) Uani 1 1 d . . . . .
C41 C 0.6699(4) 0.5516(4) 0.6153(4) 0.0418(15) Uani 1 1 d . . . . .
H41A H 0.720508 0.527341 0.598229 0.063 Uiso 1 1 calc R U . . .
H41B H 0.637035 0.581662 0.570774 0.063 Uiso 1 1 calc R U . . .
H41C H 0.635691 0.506151 0.633171 0.063 Uiso 1 1 calc R U . . .
C42 C 0.6954(3) 0.6127(3) 0.6823(3) 0.0283(11) Uani 1 1 d . . . . .
H42A H 0.734834 0.655493 0.666557 0.034 Uiso 1 1 calc R U . . .
H42B H 0.645095 0.642481 0.695788 0.034 Uiso 1 1 calc R U . . .
C43 C 0.7727(4) 0.6201(4) 0.8108(3) 0.0324(12) Uani 1 1 d . . . . .
H43A H 0.729179 0.655871 0.829980 0.039 Uiso 1 1 calc R U . . .
H43B H 0.814430 0.657787 0.791292 0.039 Uiso 1 1 calc R U . . .
C44 C 0.8149(4) 0.5664(4) 0.8765(3) 0.0368(13) Uani 1 1 d . . . . .
H44A H 0.772738 0.531764 0.897673 0.055 Uiso 1 1 calc R U . . .
H44B H 0.843850 0.602685 0.918675 0.055 Uiso 1 1 calc R U . . .
H44C H 0.856092 0.529391 0.856583 0.055 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'
Mn Mn 0.3368 0.7283 '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
N11 Rh1 N8 178.89(15) . . ?
N11 Rh1 N5 90.04(15) . . ?
N8 Rh1 N5 90.14(15) . . ?
N11 Rh1 N2 89.37(15) . . ?
N8 Rh1 N2 90.43(15) . . ?
N5 Rh1 N2 178.83(15) . . ?
N11 Rh1 Rh2' 89.95(19) . . ?
N8 Rh1 Rh2' 91.14(19) . . ?
N5 Rh1 Rh2' 91.3(2) . . ?
N2 Rh1 Rh2' 89.7(2) . . ?
N11 Rh1 Rh2 89.61(12) . . ?
N8 Rh1 Rh2 89.30(11) . . ?
N5 Rh1 Rh2 89.19(11) . . ?
N2 Rh1 Rh2 89.79(12) . . ?
N11 Rh1 Mn1 91.1(2) . . ?
N8 Rh1 Mn1 90.0(2) . . ?
N5 Rh1 Mn1 91.2(2) . . ?
N2 Rh1 Mn1 89.8(2) . . ?
Rh2 Rh1 Mn1 179.2(2) . . ?
N11 Rh1 Mn1' 87.69(17) . . ?
N8 Rh1 Mn1' 91.22(17) . . ?
N5 Rh1 Mn1' 90.39(17) . . ?
N2 Rh1 Mn1' 88.58(17) . . ?
Rh2' Rh1 Mn1' 177.1(2) . . ?
N6 Rh2 N9 86.98(16) . . ?
N6 Rh2 N12 90.20(16) . . ?
N9 Rh2 N12 172.04(15) . . ?
N6 Rh2 N3 171.50(16) . . ?
N9 Rh2 N3 91.88(16) . . ?
N12 Rh2 N3 89.80(16) . . ?
N6 Rh2 Rh1 85.52(11) . . ?
N9 Rh2 Rh1 86.77(11) . . ?
N12 Rh2 Rh1 85.58(12) . . ?
N3 Rh2 Rh1 86.01(12) . . ?
N6 Rh2 Cl2 95.16(12) . . ?
N9 Rh2 Cl2 96.36(12) . . ?
N12 Rh2 Cl2 91.31(12) . . ?
N3 Rh2 Cl2 93.34(12) . . ?
Rh1 Rh2 Cl2 176.82(9) . . ?
N7 Mn1 N1 91.4(4) . . ?
N7 Mn1 N4 87.8(4) . . ?
N1 Mn1 N4 156.6(3) . . ?
N7 Mn1 N10 156.0(3) . . ?
N1 Mn1 N10 84.2(3) . . ?
N4 Mn1 N10 87.1(3) . . ?
N7 Mn1 Cl1 102.3(3) . . ?
N1 Mn1 Cl1 101.4(3) . . ?
N4 Mn1 Cl1 101.7(3) . . ?
N10 Mn1 Cl1 101.7(3) . . ?
N7 Mn1 Rh1 78.5(2) . . ?
N1 Mn1 Rh1 79.5(2) . . ?
N4 Mn1 Rh1 77.4(2) . . ?
N10 Mn1 Rh1 77.5(2) . . ?
Cl1 Mn1 Rh1 178.8(4) . . ?
N10 Rh2' N4 90.8(3) . . ?
N10 Rh2' N1 86.9(3) . . ?
N4 Rh2' N1 172.1(3) . . ?
N10 Rh2' N7 171.3(3) . . ?
N4 Rh2' N7 89.1(3) . . ?
N1 Rh2' N7 91.9(3) . . ?
N10 Rh2' Rh1 86.09(19) . . ?
N4 Rh2' Rh1 85.3(2) . . ?
N1 Rh2' Rh1 87.0(2) . . ?
N7 Rh2' Rh1 85.3(2) . . ?
N10 Rh2' Cl1 95.3(2) . . ?
N4 Rh2' Cl1 94.4(2) . . ?
N1 Rh2' Cl1 93.3(2) . . ?
N7 Rh2' Cl1 93.4(2) . . ?
Rh1 Rh2' Cl1 178.6(3) . . ?
N3 Mn1' N12 91.2(3) . . ?
N3 Mn1' N9 90.1(3) . . ?
N12 Mn1' N9 155.0(3) . . ?
N3 Mn1' N6 154.8(3) . . ?
N12 Mn1' N6 87.0(3) . . ?
N9 Mn1' N6 81.3(2) . . ?
N3 Mn1' Cl2 104.0(2) . . ?
N12 Mn1' Cl2 100.8(2) . . ?
N9 Mn1' Cl2 103.1(3) . . ?
N6 Mn1' Cl2 101.0(3) . . ?
N3 Mn1' Rh1 79.27(19) . . ?
N12 Mn1' Rh1 78.36(19) . . ?
N9 Mn1' Rh1 77.37(16) . . ?
N6 Mn1' Rh1 75.75(16) . . ?
Cl2 Mn1' Rh1 176.6(3) . . ?
C1 N1 C5 118.2(4) . . ?
C1 N1 Rh2' 122.8(4) . . ?
C5 N1 Rh2' 118.9(3) . . ?
C1 N1 Mn1 115.0(4) . . ?
C5 N1 Mn1 126.7(3) . . ?
C5 N2 C6 122.0(4) . . ?
C5 N2 Rh1 120.8(3) . . ?
C6 N2 Rh1 116.5(3) . . ?
C10 N3 C6 119.0(4) . . ?
C10 N3 Mn1' 113.0(4) . . ?
C6 N3 Mn1' 127.6(3) . . ?
C10 N3 Rh2 121.4(4) . . ?
C6 N3 Rh2 119.0(3) . . ?
C11 N4 C15 118.7(4) . . ?
C11 N4 Rh2' 120.2(4) . . ?
C15 N4 Rh2' 121.2(3) . . ?
C11 N4 Mn1 113.4(4) . . ?
C15 N4 Mn1 127.9(4) . . ?
C16 N5 C15 123.5(4) . . ?
C16 N5 Rh1 117.8(3) . . ?
C15 N5 Rh1 118.5(3) . . ?
C20 N6 C16 119.4(4) . . ?
C20 N6 Rh2 118.9(3) . . ?
C16 N6 Rh2 121.4(3) . . ?
C20 N6 Mn1' 112.7(3) . . ?
C16 N6 Mn1' 127.9(3) . . ?
C21 N7 C25 118.3(4) . . ?
C21 N7 Mn1 113.9(4) . . ?
C25 N7 Mn1 127.6(3) . . ?
C21 N7 Rh2' 121.0(4) . . ?
C25 N7 Rh2' 120.1(3) . . ?
C26 N8 C25 122.1(4) . . ?
C26 N8 Rh1 119.7(3) . . ?
C25 N8 Rh1 117.9(3) . . ?
C26 N9 C30 118.7(4) . . ?
C26 N9 Rh2 120.3(3) . . ?
C30 N9 Rh2 120.9(3) . . ?
C26 N9 Mn1' 128.5(3) . . ?
C30 N9 Mn1' 112.7(3) . . ?
C31 N10 C35 118.7(4) . . ?
C31 N10 Rh2' 121.1(4) . . ?
C35 N10 Rh2' 119.8(3) . . ?
C31 N10 Mn1 114.0(4) . . ?
C35 N10 Mn1 127.1(3) . . ?
C35 N11 C36 123.2(4) . . ?
C35 N11 Rh1 118.1(3) . . ?
C36 N11 Rh1 118.8(3) . . ?
C40 N12 C36 118.2(4) . . ?
C40 N12 Mn1' 115.3(4) . . ?
C36 N12 Mn1' 126.4(3) . . ?
C40 N12 Rh2 122.0(3) . . ?
C36 N12 Rh2 119.7(3) . . ?
N1 C1 C2 124.2(5) . . ?
C1 C2 C3 118.1(5) . . ?
C4 C3 C2 119.1(5) . . ?
C3 C4 C5 120.6(5) . . ?
N1 C5 N2 116.6(4) . . ?
N1 C5 C4 119.6(4) . . ?
N2 C5 C4 123.7(4) . . ?
N3 C6 N2 116.8(4) . . ?
N3 C6 C7 119.1(4) . . ?
N2 C6 C7 123.8(5) . . ?
C8 C7 C6 120.4(5) . . ?
C7 C8 C9 119.7(5) . . ?
C10 C9 C8 118.3(5) . . ?
N3 C10 C9 123.4(5) . . ?
N4 C11 C12 123.7(5) . . ?
C11 C12 C13 118.1(5) . . ?
C14 C13 C12 119.4(5) . . ?
C13 C14 C15 120.6(5) . . ?
N4 C15 N5 115.8(4) . . ?
N4 C15 C14 119.4(4) . . ?
N5 C15 C14 124.7(4) . . ?
N5 C16 N6 114.9(4) . . ?
N5 C16 C17 126.5(4) . . ?
N6 C16 C17 118.4(4) . . ?
C18 C17 C16 120.7(5) . . ?
C17 C18 C19 120.0(5) . . ?
C20 C19 C18 118.3(5) . . ?
N6 C20 C19 122.8(5) . . ?
N7 C21 C22 124.4(5) . . ?
C21 C22 C23 117.4(5) . . ?
C24 C23 C22 119.8(5) . . ?
C23 C24 C25 120.3(5) . . ?
N7 C25 N8 115.5(4) . . ?
N7 C25 C24 119.8(4) . . ?
N8 C25 C24 124.5(4) . . ?
N9 C26 N8 115.7(4) . . ?
N9 C26 C27 119.2(4) . . ?
N8 C26 C27 125.0(4) . . ?
C28 C27 C26 120.6(4) . . ?
C27 C28 C29 120.1(5) . . ?
C30 C29 C28 117.6(5) . . ?
N9 C30 C29 123.6(5) . . ?
N10 C31 C32 123.6(5) . . ?
C31 C32 C33 118.2(5) . . ?
C34 C33 C32 119.7(5) . . ?
C33 C34 C35 120.0(5) . . ?
N10 C35 N11 116.0(4) . . ?
N10 C35 C34 119.7(4) . . ?
N11 C35 C34 124.2(4) . . ?
N12 C36 N11 115.7(4) . . ?
N12 C36 C37 120.1(4) . . ?
N11 C36 C37 124.0(4) . . ?
C38 C37 C36 119.9(5) . . ?
C37 C38 C39 119.6(5) . . ?
C40 C39 C38 117.9(5) . . ?
N12 C40 C39 124.2(5) . . ?
C42 O1 C43 112.4(4) . . ?
O1 C42 C41 108.4(5) . . ?
O1 C43 C44 108.7(5) . . ?
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 N11 2.020(4) . ?
Rh1 N8 2.022(4) . ?
Rh1 N5 2.031(4) . ?
Rh1 N2 2.035(4) . ?
Rh1 Rh2' 2.327(4) . ?
Rh1 Rh2 2.3360(12) . ?
Rh1 Mn1 2.622(5) . ?
Rh1 Mn1' 2.646(4) . ?
Rh2 N6 2.063(4) . ?
Rh2 N9 2.087(4) . ?
Rh2 N12 2.133(4) . ?
Rh2 N3 2.146(4) . ?
Rh2 Cl2 2.5527(17) . ?
Mn1 N7 2.170(10) . ?
Mn1 N1 2.186(10) . ?
Mn1 N4 2.201(10) . ?
Mn1 N10 2.219(9) . ?
Mn1 Cl1 2.313(5) . ?
Rh2' N10 2.131(8) . ?
Rh2' N4 2.144(8) . ?
Rh2' N1 2.161(8) . ?
Rh2' N7 2.174(8) . ?
Rh2' Cl1 2.608(4) . ?
Mn1' N3 2.107(7) . ?
Mn1' N12 2.122(7) . ?
Mn1' N9 2.190(7) . ?
Mn1' N6 2.195(7) . ?
Mn1' Cl2 2.243(4) . ?
N1 C1 1.350(6) . ?
N1 C5 1.353(6) . ?
N2 C5 1.360(6) . ?
N2 C6 1.373(6) . ?
N3 C10 1.349(6) . ?
N3 C6 1.362(6) . ?
N4 C11 1.355(6) . ?
N4 C15 1.360(6) . ?
N5 C16 1.358(6) . ?
N5 C15 1.372(6) . ?
N6 C20 1.359(6) . ?
N6 C16 1.377(6) . ?
N7 C21 1.352(6) . ?
N7 C25 1.361(6) . ?
N8 C26 1.372(6) . ?
N8 C25 1.375(6) . ?
N9 C26 1.364(6) . ?
N9 C30 1.366(6) . ?
N10 C31 1.350(6) . ?
N10 C35 1.359(6) . ?
N11 C35 1.362(6) . ?
N11 C36 1.379(6) . ?
N12 C40 1.353(6) . ?
N12 C36 1.356(6) . ?
C1 C2 1.363(8) . ?
C2 C3 1.385(8) . ?
C3 C4 1.362(7) . ?
C4 C5 1.415(7) . ?
C6 C7 1.407(7) . ?
C7 C8 1.368(8) . ?
C8 C9 1.375(9) . ?
C9 C10 1.366(8) . ?
C11 C12 1.369(7) . ?
C12 C13 1.381(8) . ?
C13 C14 1.373(7) . ?
C14 C15 1.406(7) . ?
C16 C17 1.409(6) . ?
C17 C18 1.360(7) . ?
C18 C19 1.390(8) . ?
C19 C20 1.364(7) . ?
C21 C22 1.365(8) . ?
C22 C23 1.388(8) . ?
C23 C24 1.373(7) . ?
C24 C25 1.403(6) . ?
C26 C27 1.404(6) . ?
C27 C28 1.367(7) . ?
C28 C29 1.385(7) . ?
C29 C30 1.366(7) . ?
C31 C32 1.368(8) . ?
C32 C33 1.381(8) . ?
C33 C34 1.370(7) . ?
C34 C35 1.410(7) . ?
C36 C37 1.411(7) . ?
C37 C38 1.369(7) . ?
C38 C39 1.390(8) . ?
C39 C40 1.361(8) . ?
O1 C42 1.411(6) . ?
O1 C43 1.423(6) . ?
C41 C42 1.505(8) . ?
C43 C44 1.486(8) . ?
