#------------------------------------------------------------------------------
#$Date: 2021-02-05 01:14:54 +0200 (Fri, 05 Feb 2021) $
#$Revision: 261674 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/59/7705970.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_7705970
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 Fe N12 O Rh2'
_chemical_formula_weight         1087.46
_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                 98.7876(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.0644(7)
_cell_length_b                   15.7547(7)
_cell_length_c                   16.9905(7)
_cell_measurement_reflns_used    8288
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      2.29
_cell_volume                     4249.6(3)
_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  0.0391
_diffrn_reflns_av_unetI/netI     0.0380
_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       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            32377
_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         27.499
_diffrn_reflns_theta_min         1.772
_exptl_absorpt_coefficient_mu    1.283
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5482
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            'Olive green'
_exptl_crystal_density_diffrn    1.700
_exptl_crystal_density_meas      ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2192
_exptl_crystal_size_max          0.370
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.150
_refine_diff_density_max         0.695
_refine_diff_density_min         -0.426
_refine_diff_density_rms         0.083
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     568
_refine_ls_number_reflns         9768
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0448
_refine_ls_R_factor_gt           0.0343
_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)+(0.0286P)²+2.7529P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0717
_refine_ls_wR_factor_ref         0.0755
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8178
_reflns_number_total             9768
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt03311a2.cif
_cod_data_source_block           ic17217
_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               7705970
_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   0.648
_shelx_estimated_absorpt_t_max   0.831
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 0.75407(2) 0.02011(2) 0.76149(2) 0.01524(6) Uani 1 1 d . . . . .
Rh2 Rh 0.6543(2) 0.0831(3) 0.8260(2) 0.0141(3) Uani 0.4802(16) 1 d . . P A 1
Fe1 Fe 0.8642(4) -0.0470(5) 0.6922(5) 0.0149(3) Uani 0.4802(16) 1 d . . P A 1
Rh2' Rh 0.8558(2) -0.0435(3) 0.6976(2) 0.0149(3) Uani 0.5198(16) 1 d . . P A 2
Fe1' Fe 0.6455(4) 0.0864(5) 0.8323(4) 0.0141(3) Uani 0.5198(16) 1 d . . P A 2
Cl1 Cl 0.96864(4) -0.11404(4) 0.62318(4) 0.02384(15) Uani 1 1 d . . . . .
Cl2 Cl 0.54382(4) 0.15882(4) 0.89583(4) 0.02540(15) Uani 1 1 d . . . . .
N1 N 0.88603(13) -0.12156(13) 0.79869(13) 0.0168(4) Uani 1 1 d . . . . .
N2 N 0.81227(13) -0.02721(13) 0.86658(12) 0.0151(4) Uani 1 1 d . . . . .
N3 N 0.74302(14) 0.07433(14) 0.93124(13) 0.0179(5) Uani 1 1 d . . . . .
N4 N 0.82019(13) 0.04568(14) 0.60534(12) 0.0168(5) Uani 1 1 d . . . . .
N5 N 0.69615(13) 0.06888(13) 0.65646(12) 0.0148(4) Uani 1 1 d . . . . .
N6 N 0.57672(13) 0.08093(13) 0.71585(13) 0.0172(5) Uani 1 1 d . . . . .
N7 N 0.75927(13) -0.12514(13) 0.64466(12) 0.0158(4) Uani 1 1 d . . . . .
N8 N 0.68179(13) -0.08559(13) 0.74310(12) 0.0151(4) Uani 1 1 d . . . . .
N9 N 0.60894(13) -0.04010(14) 0.84302(12) 0.0166(5) Uani 1 1 d . . . . .
N10 N 0.94052(13) 0.04629(13) 0.75706(13) 0.0165(4) Uani 1 1 d . . . . .
N11 N 0.82589(13) 0.12597(13) 0.78057(12) 0.0154(4) Uani 1 1 d . . . . .
N12 N 0.70586(13) 0.19983(13) 0.79785(12) 0.0165(4) Uani 1 1 d . . . . .
C1 C 0.93217(16) -0.19302(17) 0.79717(17) 0.0219(6) Uani 1 1 d . . . . .
H1 H 0.949413 -0.208862 0.748170 0.026 Uiso 1 1 calc R U . . .
C2 C 0.95556(18) -0.24396(18) 0.86195(18) 0.0272(6) Uani 1 1 d . . . . .
H2 H 0.990281 -0.292242 0.858639 0.033 Uiso 1 1 calc R U . . .
C3 C 0.92705(18) -0.22307(18) 0.93302(17) 0.0262(6) Uani 1 1 d . . . . .
H3 H 0.941034 -0.257679 0.978921 0.031 Uiso 1 1 calc R U . . .
C4 C 0.87872(17) -0.15214(18) 0.93562(16) 0.0227(6) Uani 1 1 d . . . . .
H4 H 0.857537 -0.138373 0.983270 0.027 Uiso 1 1 calc R U . . .
C5 C 0.85982(15) -0.09888(17) 0.86820(15) 0.0168(5) Uani 1 1 d . . . . .
C6 C 0.81116(16) 0.02244(16) 0.93285(15) 0.0172(5) Uani 1 1 d . . . . .
C7 C 0.87801(18) 0.02853(18) 0.99604(16) 0.0236(6) Uani 1 1 d . . . . .
H7 H 0.925915 -0.006981 0.996728 0.028 Uiso 1 1 calc R U . . .
C8 C 0.8752(2) 0.08502(18) 1.05682(17) 0.0286(7) Uani 1 1 d . . . . .
H8 H 0.921087 0.089518 1.099072 0.034 Uiso 1 1 calc R U . . .
C9 C 0.8042(2) 0.13567(19) 1.05582(17) 0.0292(7) Uani 1 1 d . . . . .
H9 H 0.800005 0.174540 1.097772 0.035 Uiso 1 1 calc R U . . .
C10 C 0.74069(18) 0.12802(17) 0.99282(16) 0.0235(6) Uani 1 1 d . . . . .
H10 H 0.692081 0.162471 0.992322 0.028 Uiso 1 1 calc R U . . .
C11 C 0.87334(17) 0.06508(18) 0.55353(16) 0.0221(6) Uani 1 1 d . . . . .
H11 H 0.926520 0.037477 0.559731 0.027 Uiso 1 1 calc R U . . .
C12 C 0.85505(19) 0.12199(18) 0.49287(17) 0.0267(6) Uani 1 1 d . . . . .
H12 H 0.893726 0.132714 0.456958 0.032 Uiso 1 1 calc R U . . .
C13 C 0.77807(19) 0.16379(18) 0.48524(16) 0.0257(6) Uani 1 1 d . . . . .
H13 H 0.763107 0.203530 0.443420 0.031 Uiso 1 1 calc R U . . .
C14 C 0.72391(17) 0.14746(17) 0.53822(16) 0.0212(6) Uani 1 1 d . . . . .
H14 H 0.671949 0.177161 0.534045 0.025 Uiso 1 1 calc R U . . .
C15 C 0.74481(16) 0.08701(16) 0.59870(15) 0.0169(5) Uani 1 1 d . . . . .
C16 C 0.61097(16) 0.07758(16) 0.64706(15) 0.0168(5) Uani 1 1 d . . . . .
C17 C 0.55661(17) 0.07659(17) 0.57349(16) 0.0205(6) Uani 1 1 d . . . . .
H17 H 0.579474 0.078628 0.525155 0.025 Uiso 1 1 calc R U . . .
C18 C 0.47131(18) 0.07272(18) 0.57132(17) 0.0257(6) Uani 1 1 d . . . . .
H18 H 0.435065 0.071940 0.521598 0.031 Uiso 1 1 calc R U . . .
C19 C 0.43761(17) 0.06993(19) 0.64192(18) 0.0279(7) Uani 1 1 d . . . . .
H19 H 0.378652 0.064865 0.641733 0.034 Uiso 1 1 calc R U . . .
C20 C 0.49252(17) 0.07474(17) 0.71153(17) 0.0224(6) Uani 1 1 d . . . . .
H20 H 0.469897 0.073647 0.760018 0.027 Uiso 1 1 calc R U . . .
C21 C 0.76498(17) -0.16510(17) 0.57528(16) 0.0212(6) Uani 1 1 d . . . . .
H21 H 0.816391 -0.160459 0.554410 0.025 Uiso 1 1 calc R U . . .
C22 C 0.70155(18) -0.21172(18) 0.53328(16) 0.0244(6) Uani 1 1 d . . . . .
H22 H 0.709097 -0.240173 0.485580 0.029 Uiso 1 1 calc R U . . .
C23 C 0.62587(18) -0.21609(18) 0.56261(16) 0.0235(6) Uani 1 1 d . . . . .
H23 H 0.580099 -0.247212 0.534446 0.028 Uiso 1 1 calc R U . . .
C24 C 0.61686(17) -0.17566(16) 0.63207(16) 0.0197(6) Uani 1 1 d . . . . .
H24 H 0.564582 -0.177869 0.651637 0.024 Uiso 1 1 calc R U . . .
C25 C 0.68550(16) -0.13055(16) 0.67474(15) 0.0160(5) Uani 1 1 d . . . . .
C26 C 0.62700(15) -0.10463(16) 0.79518(15) 0.0148(5) Uani 1 1 d . . . . .
C27 C 0.59314(17) -0.18587(17) 0.80452(16) 0.0205(6) Uani 1 1 d . . . . .
H27 H 0.607260 -0.231713 0.772711 0.025 Uiso 1 1 calc R U . . .
C28 C 0.53996(18) -0.19919(18) 0.85920(17) 0.0251(6) Uani 1 1 d . . . . .
H28 H 0.515962 -0.253653 0.864287 0.030 Uiso 1 1 calc R U . . .
C29 C 0.52145(17) -0.13270(18) 0.90699(17) 0.0243(6) Uani 1 1 d . . . . .
H29 H 0.484388 -0.140416 0.944945 0.029 Uiso 1 1 calc R U . . .
C30 C 0.55796(17) -0.05577(18) 0.89802(15) 0.0211(6) Uani 1 1 d . . . . .
H30 H 0.547054 -0.010734 0.932195 0.025 Uiso 1 1 calc R U . . .
C31 C 1.02419(16) 0.03120(18) 0.76876(17) 0.0226(6) Uani 1 1 d . . . . .
H31 H 1.044008 -0.017698 0.744655 0.027 Uiso 1 1 calc R U . . .
C32 C 1.08197(17) 0.08216(19) 0.81324(17) 0.0254(6) Uani 1 1 d . . . . .
H32 H 1.140451 0.069653 0.819256 0.030 Uiso 1 1 calc R U . . .
C33 C 1.05264(17) 0.15293(18) 0.84947(16) 0.0235(6) Uani 1 1 d . . . . .
H33 H 1.091184 0.189740 0.880802 0.028 Uiso 1 1 calc R U . . .
C34 C 0.96801(16) 0.16940(17) 0.83984(15) 0.0197(6) Uani 1 1 d . . . . .
H34 H 0.947624 0.216780 0.865750 0.024 Uiso 1 1 calc R U . . .
C35 C 0.91104(16) 0.11598(16) 0.79141(14) 0.0157(5) Uani 1 1 d . . . . .
C36 C 0.78678(16) 0.20302(16) 0.78284(14) 0.0162(5) Uani 1 1 d . . . . .
C37 C 0.82232(17) 0.28122(17) 0.76593(15) 0.0209(6) Uani 1 1 d . . . . .
H37 H 0.879201 0.283664 0.756939 0.025 Uiso 1 1 calc R U . . .
C38 C 0.77513(18) 0.35382(18) 0.76240(16) 0.0245(6) Uani 1 1 d . . . . .
H38 H 0.799395 0.406905 0.752162 0.029 Uiso 1 1 calc R U . . .
C39 C 0.69136(19) 0.34929(18) 0.77392(17) 0.0271(6) Uani 1 1 d . . . . .
H39 H 0.656989 0.398635 0.769882 0.033 Uiso 1 1 calc R U . . .
C40 C 0.65974(17) 0.27224(17) 0.79115(16) 0.0220(6) Uani 1 1 d . . . . .
H40 H 0.602468 0.269206 0.798851 0.026 Uiso 1 1 calc R U . . .
O1 O 0.73427(12) 0.56717(13) 0.75140(12) 0.0277(5) Uani 1 1 d . . . . .
C41 C 0.6689(2) 0.5516(2) 0.6174(2) 0.0421(9) Uani 1 1 d . . . . .
H41A H 0.719027 0.526876 0.600021 0.063 Uiso 1 1 calc R U . . .
H41B H 0.635763 0.581711 0.572718 0.063 Uiso 1 1 calc R U . . .
H41C H 0.634613 0.506296 0.635642 0.063 Uiso 1 1 calc R U . . .
C42 C 0.69543(18) 0.61320(19) 0.68496(19) 0.0298(7) Uani 1 1 d . . . . .
H42A H 0.735247 0.655481 0.668943 0.036 Uiso 1 1 calc R U . . .
H42B H 0.645595 0.643763 0.698348 0.036 Uiso 1 1 calc R U . . .
C43 C 0.77267(19) 0.6214(2) 0.81401(18) 0.0308(7) Uani 1 1 d . . . . .
H43A H 0.729371 0.657347 0.833242 0.037 Uiso 1 1 calc R U . . .
H43B H 0.814305 0.659044 0.794218 0.037 Uiso 1 1 calc R U . . .
C44 C 0.8153(2) 0.5672(2) 0.88023(19) 0.0353(7) Uani 1 1 d . . . . .
H44A H 0.773534 0.530694 0.899826 0.053 Uiso 1 1 calc R U . . .
H44B H 0.842263 0.603475 0.923651 0.053 Uiso 1 1 calc R U . . .
H44C H 0.858028 0.531962 0.860678 0.053 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'
Fe Fe 0.3463 0.8444 '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 179.57(9) . . ?
N11 Rh1 N2 89.26(8) . . ?
N8 Rh1 N2 90.56(8) . . ?
N11 Rh1 N5 90.13(8) . . ?
N8 Rh1 N5 90.04(8) . . ?
N2 Rh1 N5 179.36(9) . . ?
N11 Rh1 Rh2 89.44(13) . . ?
N8 Rh1 Rh2 90.17(13) . . ?
N2 Rh1 Rh2 90.01(13) . . ?
N5 Rh1 Rh2 89.79(13) . . ?
N11 Rh1 Rh2' 90.34(12) . . ?
N8 Rh1 Rh2' 90.05(12) . . ?
N2 Rh1 Rh2' 89.44(12) . . ?
N5 Rh1 Rh2' 90.76(12) . . ?
N11 Rh1 Fe1' 90.08(19) . . ?
N8 Rh1 Fe1' 89.53(19) . . ?
N2 Rh1 Fe1' 89.51(19) . . ?
N5 Rh1 Fe1' 90.29(19) . . ?
Rh2' Rh1 Fe1' 178.9(2) . . ?
N11 Rh1 Fe1 89.8(2) . . ?
N8 Rh1 Fe1 90.6(2) . . ?
N2 Rh1 Fe1 89.7(2) . . ?
N5 Rh1 Fe1 90.5(2) . . ?
Rh2 Rh1 Fe1 179.2(2) . . ?
N6 Rh2 N12 90.71(19) . . ?
N6 Rh2 N9 86.38(19) . . ?
N12 Rh2 N9 173.23(19) . . ?
N6 Rh2 N3 172.6(2) . . ?
N12 Rh2 N3 90.62(19) . . ?
N9 Rh2 N3 91.5(2) . . ?
N6 Rh2 Rh1 85.98(15) . . ?
N12 Rh2 Rh1 86.63(14) . . ?
N9 Rh2 Rh1 87.07(16) . . ?
N3 Rh2 Rh1 86.89(14) . . ?
N6 Rh2 Cl2 93.56(15) . . ?
N12 Rh2 Cl2 91.30(16) . . ?
N9 Rh2 Cl2 94.98(14) . . ?
N3 Rh2 Cl2 93.64(15) . . ?
Rh1 Rh2 Cl2 177.9(2) . . ?
N10 Fe1 N4 89.4(3) . . ?
N10 Fe1 N1 86.2(3) . . ?
N4 Fe1 N1 163.9(3) . . ?
N10 Fe1 N7 163.0(3) . . ?
N4 Fe1 N7 88.5(3) . . ?
N1 Fe1 N7 91.2(3) . . ?
N10 Fe1 Cl1 99.5(3) . . ?
N4 Fe1 Cl1 98.3(3) . . ?
N1 Fe1 Cl1 97.7(3) . . ?
N7 Fe1 Cl1 97.5(3) . . ?
N10 Fe1 Rh1 81.7(2) . . ?
N4 Fe1 Rh1 81.5(2) . . ?
N1 Fe1 Rh1 82.6(2) . . ?
N7 Fe1 Rh1 81.3(2) . . ?
Cl1 Fe1 Rh1 178.7(4) . . ?
N7 Rh2' N1 93.13(18) . . ?
N7 Rh2' N10 172.70(17) . . ?
N1 Rh2' N10 87.11(17) . . ?
N7 Rh2' N4 89.48(18) . . ?
N1 Rh2' N4 173.1(2) . . ?
N10 Rh2' N4 89.48(18) . . ?
N7 Rh2' Rh1 86.44(13) . . ?
N1 Rh2' Rh1 87.80(14) . . ?
N10 Rh2' Rh1 86.27(14) . . ?
N4 Rh2' Rh1 85.95(14) . . ?
N7 Rh2' Cl1 93.09(14) . . ?
N1 Rh2' Cl1 93.22(14) . . ?
N10 Rh2' Cl1 94.18(13) . . ?
N4 Rh2' Cl1 93.06(14) . . ?
Rh1 Rh2' Cl1 178.9(2) . . ?
N9 Fe1' N6 86.0(3) . . ?
N9 Fe1' N3 91.7(3) . . ?
N6 Fe1' N3 162.4(3) . . ?
N9 Fe1' N12 163.0(3) . . ?
N6 Fe1' N12 88.4(3) . . ?
N3 Fe1' N12 88.9(3) . . ?
N9 Fe1' Cl2 101.3(3) . . ?
N6 Fe1' Cl2 98.4(3) . . ?
N3 Fe1' Cl2 99.1(3) . . ?
N12 Fe1' Cl2 95.4(3) . . ?
N9 Fe1' Rh1 82.5(2) . . ?
N6 Fe1' Rh1 80.6(2) . . ?
N3 Fe1' Rh1 81.9(2) . . ?
N12 Fe1' Rh1 80.8(2) . . ?
Cl2 Fe1' Rh1 176.0(4) . . ?
C1 N1 C5 118.6(2) . . ?
C1 N1 Rh2' 122.0(2) . . ?
C5 N1 Rh2' 119.41(19) . . ?
C1 N1 Fe1 117.4(3) . . ?
C5 N1 Fe1 123.8(2) . . ?
C5 N2 C6 122.2(2) . . ?
C5 N2 Rh1 120.32(17) . . ?
C6 N2 Rh1 116.79(16) . . ?
C10 N3 C6 118.5(2) . . ?
C10 N3 Rh2 121.3(2) . . ?
C6 N3 Rh2 119.46(19) . . ?
C10 N3 Fe1' 116.9(3) . . ?
C6 N3 Fe1' 124.2(2) . . ?
C11 N4 C15 118.6(2) . . ?
C11 N4 Rh2' 120.37(19) . . ?
C15 N4 Rh2' 120.95(18) . . ?
C11 N4 Fe1 115.6(2) . . ?
C15 N4 Fe1 125.7(2) . . ?
C16 N5 C15 124.5(2) . . ?
C16 N5 Rh1 117.29(17) . . ?
C15 N5 Rh1 118.11(16) . . ?
C20 N6 C16 118.9(2) . . ?
C20 N6 Rh2 120.5(2) . . ?
C16 N6 Rh2 120.34(19) . . ?
C20 N6 Fe1' 115.5(2) . . ?
C16 N6 Fe1' 125.5(2) . . ?
C21 N7 C25 118.5(2) . . ?
C21 N7 Rh2' 120.83(19) . . ?
C25 N7 Rh2' 120.24(18) . . ?
C21 N7 Fe1 116.2(2) . . ?
C25 N7 Fe1 125.0(2) . . ?
C25 N8 C26 123.3(2) . . ?
C25 N8 Rh1 117.23(16) . . ?
C26 N8 Rh1 119.26(16) . . ?
C30 N9 C26 118.8(2) . . ?
C30 N9 Fe1' 116.1(2) . . ?
C26 N9 Fe1' 124.8(2) . . ?
C30 N9 Rh2 121.3(2) . . ?
C26 N9 Rh2 119.75(19) . . ?
C31 N10 C35 118.9(2) . . ?
C31 N10 Rh2' 120.5(2) . . ?
C35 N10 Rh2' 120.32(18) . . ?
C31 N10 Fe1 116.1(3) . . ?
C35 N10 Fe1 124.9(2) . . ?
C35 N11 C36 123.7(2) . . ?
C35 N11 Rh1 117.55(17) . . ?
C36 N11 Rh1 118.78(16) . . ?
C40 N12 C36 118.5(2) . . ?
C40 N12 Rh2 121.7(2) . . ?
C36 N12 Rh2 119.68(19) . . ?
C40 N12 Fe1' 117.2(2) . . ?
C36 N12 Fe1' 124.2(2) . . ?
N1 C1 C2 123.9(3) . . ?
C1 C2 C3 118.2(3) . . ?
C4 C3 C2 119.0(3) . . ?
C3 C4 C5 120.8(3) . . ?
N1 C5 N2 116.6(2) . . ?
N1 C5 C4 119.4(2) . . ?
N2 C5 C4 124.0(2) . . ?
N3 C6 N2 115.8(2) . . ?
N3 C6 C7 119.6(2) . . ?
N2 C6 C7 124.3(2) . . ?
C8 C7 C6 120.8(3) . . ?
C7 C8 C9 119.1(3) . . ?
C10 C9 C8 118.2(3) . . ?
N3 C10 C9 123.8(3) . . ?
N4 C11 C12 123.8(3) . . ?
C11 C12 C13 117.9(3) . . ?
C14 C13 C12 119.7(3) . . ?
C13 C14 C15 120.3(3) . . ?
N4 C15 N5 115.8(2) . . ?
N4 C15 C14 119.6(2) . . ?
N5 C15 C14 124.4(2) . . ?
N5 C16 N6 115.6(2) . . ?
N5 C16 C17 125.3(2) . . ?
N6 C16 C17 118.8(2) . . ?
C18 C17 C16 120.4(3) . . ?
C17 C18 C19 119.9(3) . . ?
C20 C19 C18 117.4(3) . . ?
N6 C20 C19 124.2(3) . . ?
N7 C21 C22 124.2(3) . . ?
C21 C22 C23 117.7(3) . . ?
C24 C23 C22 120.1(3) . . ?
C23 C24 C25 119.9(3) . . ?
N7 C25 N8 116.0(2) . . ?
N7 C25 C24 119.6(2) . . ?
N8 C25 C24 124.3(2) . . ?
N9 C26 N8 116.0(2) . . ?
N9 C26 C27 119.4(2) . . ?
N8 C26 C27 124.6(2) . . ?
C28 C27 C26 120.4(3) . . ?
C27 C28 C29 119.6(3) . . ?
C30 C29 C28 118.1(3) . . ?
N9 C30 C29 123.6(3) . . ?
N10 C31 C32 123.8(3) . . ?
C31 C32 C33 118.0(3) . . ?
C34 C33 C32 119.8(3) . . ?
C33 C34 C35 120.0(3) . . ?
N11 C35 N10 116.3(2) . . ?
N11 C35 C34 124.0(2) . . ?
N10 C35 C34 119.6(2) . . ?
N12 C36 N11 115.3(2) . . ?
N12 C36 C37 119.9(2) . . ?
N11 C36 C37 124.6(2) . . ?
C38 C37 C36 120.1(3) . . ?
C37 C38 C39 119.5(3) . . ?
C40 C39 C38 118.4(3) . . ?
N12 C40 C39 123.4(3) . . ?
C42 O1 C43 112.2(2) . . ?
O1 C42 C41 108.5(2) . . ?
O1 C43 C44 108.4(3) . . ?
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 2.026(2) . ?
Rh1 N8 2.027(2) . ?
Rh1 N2 2.027(2) . ?
Rh1 N5 2.033(2) . ?
Rh1 Rh2 2.301(3) . ?
Rh1 Rh2' 2.324(3) . ?
Rh1 Fe1' 2.494(6) . ?
Rh1 Fe1 2.504(6) . ?
Rh2 N6 2.084(5) . ?
Rh2 N12 2.103(5) . ?
Rh2 N9 2.108(5) . ?
Rh2 N3 2.115(5) . ?
Rh2 Cl2 2.574(3) . ?
Fe1 N10 2.113(9) . ?
Fe1 N4 2.119(9) . ?
Fe1 N1 2.141(9) . ?
Fe1 N7 2.143(9) . ?
Fe1 Cl1 2.431(6) . ?
Rh2' N7 2.108(5) . ?
Rh2' N1 2.108(5) . ?
Rh2' N10 2.111(5) . ?
Rh2' N4 2.118(5) . ?
Rh2' Cl1 2.611(3) . ?
Fe1' N9 2.093(8) . ?
Fe1' N6 2.115(8) . ?
Fe1' N3 2.124(8) . ?
Fe1' N12 2.157(8) . ?
Fe1' Cl2 2.383(6) . ?
N1 C1 1.350(3) . ?
N1 C5 1.361(3) . ?
N2 C5 1.361(3) . ?
N2 C6 1.373(3) . ?
N3 C10 1.350(3) . ?
N3 C6 1.363(3) . ?
N4 C11 1.352(3) . ?
N4 C15 1.364(3) . ?
N5 C16 1.360(3) . ?
N5 C15 1.375(3) . ?
N6 C20 1.347(3) . ?
N6 C16 1.367(3) . ?
N7 C21 1.352(3) . ?
N7 C25 1.363(3) . ?
N8 C25 1.369(3) . ?
N8 C26 1.373(3) . ?
N9 C30 1.356(3) . ?
N9 C26 1.360(3) . ?
N10 C31 1.349(3) . ?
N10 C35 1.362(3) . ?
N11 C35 1.361(3) . ?
N11 C36 1.370(3) . ?
N12 C40 1.356(3) . ?
N12 C36 1.363(3) . ?
C1 C2 1.368(4) . ?
C2 C3 1.395(4) . ?
C3 C4 1.365(4) . ?
C4 C5 1.415(4) . ?
C6 C7 1.401(4) . ?
C7 C8 1.369(4) . ?
C8 C9 1.389(4) . ?
C9 C10 1.367(4) . ?
C11 C12 1.364(4) . ?
C12 C13 1.390(4) . ?
C13 C14 1.369(4) . ?
C14 C15 1.404(4) . ?
C16 C17 1.411(3) . ?
C17 C18 1.367(4) . ?
C18 C19 1.390(4) . ?
C19 C20 1.365(4) . ?
C21 C22 1.366(4) . ?
C22 C23 1.384(4) . ?
C23 C24 1.368(4) . ?
C24 C25 1.415(3) . ?
C26 C27 1.409(4) . ?
C27 C28 1.371(4) . ?
C28 C29 1.385(4) . ?
C29 C30 1.365(4) . ?
C31 C32 1.365(4) . ?
C32 C33 1.390(4) . ?
C33 C34 1.369(4) . ?
C34 C35 1.412(3) . ?
C36 C37 1.406(4) . ?
C37 C38 1.368(4) . ?
C38 C39 1.391(4) . ?
C39 C40 1.365(4) . ?
O1 C42 1.405(3) . ?
O1 C43 1.429(3) . ?
C41 C42 1.514(4) . ?
C43 C44 1.493(4) . ?
