#------------------------------------------------------------------------------
#$Date: 2021-06-05 20:17:01 +0300 (Sat, 05 Jun 2021) $
#$Revision: 265836 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/82/7128252.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_7128252
loop_
_publ_author_name
'Fukuda, Yosuke'
'Yoshinari, Nobuto'
'Yamagami, Kohei'
'Konno, Takumi'
_publ_section_title
;
 Transformations of empty Cu core to CuCuO and CuS cores via oxide
 and sulfide insertions.
;
_journal_issue                   44
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              5386
_journal_page_last               5389
_journal_paper_doi               10.1039/d1cc01572a
_journal_volume                  57
_journal_year                    2021
_chemical_absolute_configuration rm
_chemical_formula_moiety         'C36 H60 Cu6 N12 Na3 O36 Rh4 S13'
_chemical_formula_sum            'C36 H60 Cu6 N12 Na3 O36 Rh4 S13'
_chemical_formula_weight         2515.59
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2021-04-23 deposited with the CCDC.	2021-04-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 119.634(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   15.6933(3)
_cell_length_b                   29.5973(4)
_cell_length_c                   15.8253(3)
_cell_measurement_reflns_used    4477
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      17.45
_cell_measurement_theta_min      2.83
_cell_volume                     6389.1(2)
_computing_cell_refinement       'RAPID-AUTO (Rigaku Corporation)'
_computing_data_collection       'RAPID-AUTO (Rigaku Corporation)'
_computing_data_reduction        'RAPID-AUTO (Rigaku Corporation)'
_computing_molecular_graphics
'Yadokari-XG 2009 (Wakita, Nemoto et al., 2009)'
_computing_publication_material  'Mercury 2020.1'
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-2018 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 5.814
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.861
_diffrn_measurement_device_type
'RIGAKU 1/4chi goniometer with PILATUS3 X CdTe 1M'
_diffrn_measurement_method       /w
_diffrn_radiation_monochromator  Si(311)
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.4126
_diffrn_reflns_av_R_equivalents  0.0795
_diffrn_reflns_av_unetI/netI     0.1127
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.861
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       56
_diffrn_reflns_limit_k_min       -51
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            261534
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.792
_diffrn_reflns_theta_full        14.333
_diffrn_reflns_theta_max         23.569
_diffrn_reflns_theta_min         1.479
_diffrn_source                   'SPring-8 BL02B1 bending magnet'
_exptl_absorpt_coefficient_mu    0.946
_exptl_absorpt_correction_T_max  0.9287
_exptl_absorpt_correction_T_min  0.7439
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.308
_exptl_crystal_description       plate
_exptl_crystal_F_000             2486
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.050
_refine_diff_density_max         2.840
_refine_diff_density_min         -1.630
_refine_diff_density_rms         0.128
_refine_ls_abs_structure_details
;
 Flack x determined using 16123 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.023(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.981
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1117
_refine_ls_number_reflns         77119
_refine_ls_number_restraints     1198
_refine_ls_restrained_S_all      0.983
_refine_ls_R_factor_all          0.1056
_refine_ls_R_factor_gt           0.0651
_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)+(0.0748P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1468
_refine_ls_wR_factor_ref         0.1583
_reflns_Friedel_coverage         0.815
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.720
_reflns_number_gt                46950
_reflns_number_total             77119
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1cc01572a2.cif
_cod_data_source_block           3
_cod_depositor_comments
'Adding full bibliography for 7128250--7128252.cif.'
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               7128252
_shelx_shelxl_version_number     2018/1
_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   0.911
_shelx_estimated_absorpt_t_max   0.954
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -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
Cu1 Cu 0.55285(4) 0.46366(3) 0.69676(4) 0.03349(13) Uani 1 1 d . . . . .
Cu2 Cu 0.79243(4) 0.46382(3) 0.76964(4) 0.03486(14) Uani 1 1 d . . . . .
Cu3 Cu 0.65963(5) 0.55205(3) 0.77985(5) 0.04135(15) Uani 1 1 d . . . . .
Cu4 Cu 0.54489(5) 0.54978(2) 0.55366(5) 0.03581(13) Uani 1 1 d . . . . .
Cu5 Cu 0.62857(4) 0.46172(2) 0.53874(4) 0.03198(12) Uani 1 1 d . . . . .
Cu6 Cu 0.76392(5) 0.55401(2) 0.66348(6) 0.04010(16) Uani 1 1 d . . . . .
Rh1 Rh 0.72367(2) 0.45854(2) 0.97624(2) 0.03816(9) Uani 1 1 d . . . . .
Rh2 Rh 0.34921(2) 0.45342(2) 0.42273(2) 0.02100(6) Uani 1 1 d . . . . .
Rh3A Rh 0.63709(7) 0.66782(3) 0.64338(7) 0.02996(16) Uani 0.5 1 d . . P A 1
Rh3B Rh 0.65717(8) 0.66318(3) 0.68552(8) 0.03285(17) Uani 0.5 1 d . . P A 2
Rh4 Rh 0.90255(2) 0.46046(2) 0.59930(2) 0.02678(7) Uani 1 1 d . . . . .
S1 S 0.65762(8) 0.50334(5) 0.66793(9) 0.0311(2) Uani 1 1 d . . . . .
S2 S 0.56776(8) 0.45568(7) 0.84383(7) 0.0460(4) Uani 1 1 d . . . . .
S3 S 0.79980(8) 0.42636(5) 0.89699(7) 0.0330(2) Uani 1 1 d . . . . .
S4 S 0.74752(10) 0.53159(6) 0.93852(9) 0.0437(3) Uani 1 1 d . . . . .
S5 S 0.42584(7) 0.42568(4) 0.58070(7) 0.02502(19) Uani 1 1 d . . . . .
S6 S 0.38565(9) 0.52764(4) 0.47476(8) 0.0300(2) Uani 1 1 d . . . . .
S7 S 0.48655(7) 0.44548(4) 0.40721(8) 0.0272(2) Uani 1 1 d . . . . .
S8 S 0.59098(13) 0.62090(6) 0.74625(14) 0.0530(4) Uani 1 1 d . . . . .
S9 S 0.56681(19) 0.62179(6) 0.52399(18) 0.0636(5) Uani 1 1 d . . . . .
S10A S 0.7836(2) 0.62864(9) 0.6989(2) 0.0324(5) Uani 0.5 1 d . . P A 1
S10B S 0.7997(2) 0.61896(12) 0.7514(3) 0.0441(6) Uani 0.5 1 d . . P A 2
S11 S 0.92571(8) 0.45539(5) 0.75479(8) 0.0332(2) Uani 1 1 d . . . . .
S12 S 0.74954(8) 0.42677(5) 0.52707(9) 0.0326(2) Uani 1 1 d . . . . .
S13 S 0.83923(8) 0.53330(4) 0.57866(9) 0.0311(2) Uani 1 1 d . . . . .
O1 O 0.6301(9) 0.3075(4) 0.9697(10) 0.143(4) Uani 1 1 d . . . . .
O2 O 0.4899(7) 0.3197(4) 0.9534(7) 0.132(4) Uani 1 1 d . . . . .
O3 O 1.1061(3) 0.4145(2) 1.1739(3) 0.0549(13) Uani 1 1 d . . . . .
O4 O 1.0466(3) 0.4537(2) 1.2506(3) 0.0529(12) Uani 1 1 d . . . . .
O5 O 0.7121(6) 0.5850(4) 1.2058(6) 0.132(4) Uani 1 1 d . . . . .
O6 O 0.5709(5) 0.5563(3) 1.1071(5) 0.100(3) Uani 1 1 d . . . . .
O7 O 0.0746(3) 0.45986(19) 0.4760(3) 0.0474(10) Uani 1 1 d . . . . .
O8 O 0.1421(3) 0.41361(18) 0.6013(4) 0.0547(12) Uani 1 1 d . . . . .
O9 O 0.2111(5) 0.5405(3) 0.1249(4) 0.105(3) Uani 1 1 d . . . . .
O10 O 0.1193(6) 0.5777(3) 0.1700(5) 0.098(3) Uani 1 1 d . . . . .
O11 O 0.3591(7) 0.2976(3) 0.3971(7) 0.104(2) Uani 1 1 d . U . . .
O12 O 0.4067(7) 0.2941(2) 0.2912(7) 0.100(3) Uani 1 1 d . . . . .
O13A O 0.7959(17) 0.7526(11) 0.9310(16) 0.153(12) Uani 0.5 1 d D . P A 1
O14A O 0.6817(13) 0.7362(5) 0.9788(11) 0.088(4) Uani 0.5 1 d D . P A 1
O13B O 0.767(2) 0.7492(8) 0.9732(14) 0.164(13) Uani 0.5 1 d . . P A 2
O14B O 0.7164(11) 0.6923(5) 1.0458(10) 0.078(3) Uani 0.5 1 d . . P A 2
O15 O 0.3131(14) 0.7295(8) 0.5156(11) 0.268(12) Uani 1 1 d D . . . .
O16 O 0.2863(10) 0.7081(4) 0.3817(9) 0.146(4) Uani 1 1 d D . . . .
O17A O 0.7509(14) 0.7214(8) 0.4359(12) 0.132(8) Uani 0.5 1 d D . P A 1
O18A O 0.9114(12) 0.7191(8) 0.5527(16) 0.124(7) Uani 0.5 1 d D . P A 1
O17B O 0.8371(15) 0.7401(5) 0.5588(16) 0.104(5) Uani 0.5 1 d D . P A 2
O18B O 0.9802(14) 0.7280(6) 0.6967(19) 0.150(8) Uani 0.5 1 d D . P A 2
O19 O 0.9840(11) 0.3053(3) 0.6712(12) 0.166(5) Uani 1 1 d . . . . .
O20 O 1.1031(13) 0.3195(4) 0.8190(9) 0.198(7) Uani 1 1 d . . . . .
O21 O 0.7127(4) 0.4203(2) 0.2183(3) 0.0660(16) Uani 1 1 d . . . . .
O22 O 0.8497(3) 0.4573(2) 0.2735(3) 0.0631(14) Uani 1 1 d . . . . .
O23 O 1.1857(4) 0.5574(3) 0.7419(4) 0.0761(17) Uani 1 1 d . . . . .
O24 O 1.1401(5) 0.5850(3) 0.5969(5) 0.084(2) Uani 1 1 d . . . . .
N1 N 0.6941(4) 0.3942(2) 1.0105(4) 0.0552(14) Uani 1 1 d . . . . .
H1A H 0.725019 0.373273 0.993118 0.066 Uiso 1 1 calc R U . . .
H1B H 0.719593 0.392361 1.076040 0.066 Uiso 1 1 calc R U . . .
N2 N 0.8645(2) 0.4581(2) 1.0999(2) 0.0387(10) Uani 1 1 d . . . . .
H2A H 0.889758 0.486489 1.110032 0.046 Uiso 1 1 calc R U . . .
H2B H 0.859088 0.450224 1.152654 0.046 Uiso 1 1 calc R U . . .
N3 N 0.6647(4) 0.4883(2) 1.0559(4) 0.0499(11) Uani 1 1 d . U . . .
H3A H 0.598516 0.490583 1.017894 0.060 Uiso 1 1 calc R U . . .
H3B H 0.677628 0.470579 1.107810 0.060 Uiso 1 1 calc R U . . .
N4 N 0.2235(2) 0.45680(15) 0.4371(2) 0.0259(6) Uani 1 1 d . . . . .
H4A H 0.214396 0.485914 0.449377 0.031 Uiso 1 1 calc R U . . .
H4B H 0.170512 0.448573 0.379726 0.031 Uiso 1 1 calc R U . . .
N5 N 0.2718(3) 0.48009(18) 0.2817(3) 0.0371(9) Uani 1 1 d . . . . .
H5A H 0.311003 0.480417 0.254415 0.045 Uiso 1 1 calc R U . . .
H5B H 0.218883 0.462362 0.244331 0.045 Uiso 1 1 calc R U . . .
N6 N 0.3149(3) 0.38727(17) 0.3691(4) 0.0378(9) Uani 1 1 d . . . . .
H6A H 0.318446 0.369224 0.417283 0.045 Uiso 1 1 calc R U . . .
H6B H 0.251689 0.386863 0.319853 0.045 Uiso 1 1 calc R U . . .
N7A N 0.7082(13) 0.7114(3) 0.7667(11) 0.062(3) Uani 0.5 1 d . . P A 1
H7A1 H 0.772363 0.703543 0.803652 0.074 Uiso 0.5 1 calc R U P A 1
H7A2 H 0.705032 0.740539 0.747116 0.074 Uiso 0.5 1 calc R U P A 1
N7B N 0.7170(10) 0.7013(4) 0.8188(11) 0.050(2) Uani 0.5 1 d . . P A 2
H7B1 H 0.780670 0.693344 0.858505 0.060 Uiso 0.5 1 calc R U P A 2
H7B2 H 0.714853 0.731314 0.805701 0.060 Uiso 0.5 1 calc R U P A 2
N8 N 0.5172(6) 0.7038(2) 0.6025(7) 0.0673(16) Uani 1 1 d . . . . .
H8A H 0.488434 0.695271 0.637803 0.081 Uiso 1 1 calc R U . A 1
H8B H 0.533282 0.733511 0.614502 0.081 Uiso 1 1 calc R U . A 1
N9A N 0.6846(8) 0.7074(4) 0.5630(8) 0.044(2) Uani 0.5 1 d . . P A 1
H9A1 H 0.649926 0.698916 0.499480 0.052 Uiso 0.5 1 calc R U P A 1
H9A2 H 0.669656 0.736803 0.566440 0.052 Uiso 0.5 1 calc R U P A 1
N9B N 0.7283(10) 0.7047(3) 0.6331(11) 0.053(2) Uani 0.5 1 d . . P A 2
H9B1 H 0.708254 0.696991 0.570301 0.063 Uiso 0.5 1 calc R U P A 2
H9B2 H 0.710121 0.733816 0.633518 0.063 Uiso 0.5 1 calc R U P A 2
N10 N 0.9685(3) 0.39685(16) 0.6249(3) 0.0336(8) Uani 1 1 d . . . . .
H10A H 0.921764 0.375955 0.589368 0.040 Uiso 1 1 calc R U . . .
H10B H 1.012846 0.396923 0.603689 0.040 Uiso 1 1 calc R U . . .
N11 N 0.8828(2) 0.46178(16) 0.4577(2) 0.0294(7) Uani 1 1 d . . . . .
H11A H 0.865028 0.490202 0.433210 0.035 Uiso 1 1 calc R U . . .
H11B H 0.940963 0.455365 0.460767 0.035 Uiso 1 1 calc R U . . .
N12 N 1.0404(3) 0.49260(18) 0.6541(3) 0.0342(8) Uani 1 1 d . . . . .
H12A H 1.069763 0.494343 0.719994 0.041 Uiso 1 1 calc R U . . .
H12B H 1.079426 0.475750 0.638852 0.041 Uiso 1 1 calc R U . . .
C1 C 0.5407(6) 0.3954(3) 0.8540(5) 0.065(2) Uani 1 1 d . . . . .
H1 H 0.468923 0.390598 0.821623 0.078 Uiso 1 1 calc R U . . .
H2 H 0.567461 0.375865 0.821779 0.078 Uiso 1 1 calc R U . . .
C2 C 0.5880(5) 0.3831(4) 0.9622(5) 0.071(2) Uani 1 1 d . . . . .
H3 H 0.556547 0.401350 0.992506 0.085 Uiso 1 1 calc R U . . .
C3 C 0.5653(9) 0.3323(5) 0.9661(8) 0.102(3) Uani 1 1 d . . . . .
C4 C 0.9280(4) 0.4351(2) 0.9945(3) 0.0368(11) Uani 1 1 d . . . . .
H4 H 0.972004 0.413693 0.986395 0.044 Uiso 1 1 calc R U . . .
H5 H 0.949302 0.466228 0.991535 0.044 Uiso 1 1 calc R U . . .
C5 C 0.9326(3) 0.4270(2) 1.0919(3) 0.0366(11) Uani 1 1 d . . . . .
H6 H 0.910132 0.395467 1.092404 0.044 Uiso 1 1 calc R U . . .
C6 C 1.0376(4) 0.4324(2) 1.1793(4) 0.0411(12) Uani 1 1 d . . . . .
C7 C 0.6920(6) 0.5596(3) 1.0036(4) 0.0624(18) Uani 1 1 d . . . . .
H7 H 0.720978 0.590114 1.024252 0.075 Uiso 1 1 calc R U . . .
H8 H 0.620796 0.563376 0.958782 0.075 Uiso 1 1 calc R U . . .
C8 C 0.7069(5) 0.5339(3) 1.0904(4) 0.0597(16) Uani 1 1 d . . . . .
H9 H 0.778838 0.530930 1.136699 0.072 Uiso 1 1 calc R U . . .
C9 C 0.6582(6) 0.5598(4) 1.1411(5) 0.078(3) Uani 1 1 d . . . . .
C10 C 0.3263(3) 0.43683(19) 0.6073(3) 0.0303(9) Uani 1 1 d . . . . .
H10 H 0.333450 0.417072 0.660895 0.036 Uiso 1 1 calc R U . . .
H11 H 0.329018 0.468671 0.627669 0.036 Uiso 1 1 calc R U . . .
C11 C 0.2285(3) 0.42752(18) 0.5156(3) 0.0281(8) Uani 1 1 d . . . . .
H12 H 0.228574 0.395341 0.496368 0.034 Uiso 1 1 calc R U . . .
C12 C 0.1404(3) 0.43424(19) 0.5311(4) 0.0327(9) Uani 1 1 d . . . . .
C13 C 0.3236(5) 0.5540(2) 0.3525(4) 0.0457(12) Uani 1 1 d . . . . .
H13 H 0.301724 0.584809 0.356881 0.055 Uiso 1 1 calc R U . . .
H14 H 0.370324 0.556431 0.327680 0.055 Uiso 1 1 calc R U . . .
C14 C 0.2387(5) 0.5267(2) 0.2850(4) 0.0478(13) Uani 1 1 d . . . . .
H15 H 0.192293 0.525160 0.311036 0.057 Uiso 1 1 calc R U . . .
C15 C 0.1859(6) 0.5504(3) 0.1853(5) 0.066(2) Uani 1 1 d . . . . .
C16 C 0.4827(4) 0.3840(2) 0.3968(5) 0.0421(12) Uani 1 1 d . . . . .
H16 H 0.522948 0.374174 0.367839 0.051 Uiso 1 1 calc R U . . .
H17 H 0.510778 0.370366 0.462342 0.051 Uiso 1 1 calc R U . . .
C17 C 0.3767(4) 0.3674(2) 0.3331(4) 0.0391(11) Uani 1 1 d . . . . .
H18 H 0.352185 0.377468 0.264582 0.047 Uiso 1 1 calc R U . . .
C18 C 0.3747(7) 0.3147(2) 0.3362(7) 0.0642(18) Uani 1 1 d . . . . .
C19A C 0.6614(16) 0.6576(4) 0.8504(10) 0.059(4) Uani 0.5 1 d . . P A 1
H19 H 0.638801 0.652739 0.898111 0.071 Uiso 0.5 1 calc R U P A 1
H20 H 0.731156 0.648506 0.881845 0.071 Uiso 0.5 1 calc R U P A 1
C20A C 0.6541(17) 0.7063(5) 0.8271(12) 0.066(4) Uani 0.5 1 d . . P A 1
H21 H 0.584693 0.717038 0.790631 0.079 Uiso 0.5 1 calc R U P A 1
C21A C 0.7183(15) 0.7342(6) 0.9238(14) 0.076(5) Uani 0.5 1 d D . P A 1
C19B C 0.6536(15) 0.6426(6) 0.8762(12) 0.058(4) Uani 0.5 1 d . . P A 2
H22 H 0.615145 0.634532 0.908230 0.070 Uiso 0.5 1 calc R U P A 2
H23 H 0.720174 0.629595 0.914278 0.070 Uiso 0.5 1 calc R U P A 2
C20B C 0.6586(13) 0.6919(5) 0.8684(12) 0.054(3) Uani 0.5 1 d . . P A 2
H24 H 0.591310 0.705086 0.830824 0.065 Uiso 0.5 1 calc R U P A 2
C21B C 0.7143(14) 0.7126(6) 0.9708(14) 0.063(3) Uani 0.5 1 d . . P A 2
C22 C 0.4432(8) 0.6459(3) 0.4766(8) 0.073(2) Uani 1 1 d . . . . .
H25 H 0.405115 0.641522 0.405320 0.088 Uiso 1 1 calc R U . . .
H26 H 0.408693 0.629871 0.505919 0.088 Uiso 1 1 calc R U . . .
C23 C 0.4491(9) 0.6975(3) 0.5007(9) 0.082(2) Uani 1 1 d . . . . .
H27 H 0.474736 0.713840 0.462493 0.098 Uiso 1 1 calc R U . . .
C24 C 0.3433(13) 0.7115(5) 0.4627(14) 0.118(4) Uani 1 1 d . . . . .
C25A C 0.8210(10) 0.6528(6) 0.6161(14) 0.058(3) Uani 0.5 1 d . . P A 1
H28 H 0.893085 0.650357 0.645447 0.070 Uiso 0.5 1 calc R U P A 1
H29 H 0.790384 0.635594 0.554457 0.070 Uiso 0.5 1 calc R U P A 1
C26A C 0.7895(12) 0.7046(6) 0.5941(14) 0.062(3) Uani 0.5 1 d . . P A 1
H30 H 0.827963 0.722893 0.654436 0.074 Uiso 0.5 1 calc R U P A 1
C27A C 0.8191(13) 0.7176(6) 0.5190(14) 0.076(4) Uani 0.5 1 d D . P A 1
C25B C 0.8623(11) 0.6513(5) 0.6964(15) 0.060(4) Uani 0.5 1 d . . P A 2
H31 H 0.934221 0.648185 0.737322 0.073 Uiso 0.5 1 calc R U P A 2
H32 H 0.842743 0.639207 0.630978 0.073 Uiso 0.5 1 calc R U P A 2
C26B C 0.8332(13) 0.7016(5) 0.6886(15) 0.065(3) Uani 0.5 1 d . . P A 2
H33 H 0.855341 0.713373 0.755469 0.078 Uiso 0.5 1 calc R U P A 2
C27B C 0.8878(15) 0.7275(6) 0.6454(18) 0.112(6) Uani 0.5 1 d D . P A 2
C28 C 0.9551(6) 0.3951(2) 0.7737(6) 0.0515(16) Uani 1 1 d . . . . .
H34 H 0.991090 0.388221 0.844132 0.062 Uiso 1 1 calc R U . . .
H35 H 0.894082 0.377024 0.743062 0.062 Uiso 1 1 calc R U . . .
C29 C 1.0185(5) 0.3832(2) 0.7281(5) 0.0460(13) Uani 1 1 d . . . . .
H36 H 1.081619 0.400269 0.763281 0.055 Uiso 1 1 calc R U . . .
C30 C 1.0421(10) 0.3320(3) 0.7380(9) 0.084(3) Uani 1 1 d . . . . .
C31 C 0.7145(4) 0.4363(2) 0.3988(4) 0.0389(11) Uani 1 1 d . . . . .
H37 H 0.663227 0.414444 0.356400 0.047 Uiso 1 1 calc R U . . .
H38 H 0.688493 0.467227 0.378615 0.047 Uiso 1 1 calc R U . . .
C32 C 0.8081(3) 0.4296(2) 0.3904(3) 0.0332(9) Uani 1 1 d . . . . .
H39 H 0.832880 0.398140 0.410863 0.040 Uiso 1 1 calc R U . . .
C33 C 0.7880(4) 0.4372(2) 0.2868(4) 0.0362(10) Uani 1 1 d . . . . .
C34 C 0.9567(4) 0.5636(2) 0.6308(4) 0.0383(11) Uani 1 1 d . . . . .
H40 H 0.946553 0.593645 0.599516 0.046 Uiso 1 1 calc R U . . .
H41 H 0.982616 0.568357 0.701227 0.046 Uiso 1 1 calc R U . . .
C35 C 1.0306(4) 0.5367(2) 0.6150(4) 0.0409(11) Uani 1 1 d . . . . .
H42 H 1.003968 0.533696 0.543383 0.049 Uiso 1 1 calc R U . . .
C36 C 1.1269(4) 0.5620(3) 0.6569(6) 0.0558(16) Uani 1 1 d . . . . .
Na1 Na 0.99107(17) 0.50515(9) 0.33026(16) 0.0429(5) Uani 1 1 d . . . . .
O25 O 1.1268(3) 0.55398(19) 0.4247(4) 0.0532(11) Uani 1 1 d . . . . .
O26 O 0.8897(4) 0.55346(19) 0.3654(3) 0.0520(11) Uani 1 1 d . . . . .
O27 O 0.9597(4) 0.5517(2) 0.1951(3) 0.0608(13) Uani 1 1 d . . . . .
Na2 Na 1.2964(3) 0.5117(3) 0.8662(3) 0.124(2) Uani 1 1 d . . . . .
O28 O 1.4160(7) 0.5403(6) 0.8213(8) 0.159(5) Uani 1 1 d . . . . .
O29 O 1.2637(10) 0.4397(5) 0.7914(8) 0.157(4) Uani 1 1 d . . . . .
O30 O 1.3252(12) 0.5646(9) 0.9880(10) 0.279(11) Uani 1 1 d . . . . .
Na3 Na 0.9951(5) 0.67205(17) 0.3241(6) 0.135(2) Uani 1 1 d . . . . .
O31 O 1.1348(6) 0.6339(2) 0.3273(8) 0.098(3) Uani 1 1 d . . . . .
O32 O 0.8624(10) 0.6311(4) 0.1878(9) 0.148(3) Uani 1 1 d . . . . .
O33 O 0.9852(6) 0.6330(3) 0.4537(8) 0.102(2) Uani 1 1 d . . . . .
O34 O 0.8715(13) 0.7195(5) 0.3221(15) 0.218(7) Uani 1 1 d . . . . .
O35 O 0.9649(17) 0.7121(6) 0.1689(19) 0.285(10) Uani 1 1 d . . . . .
O36 O 1.1173(15) 0.7191(6) 0.467(2) 0.271(9) 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 -0.0001 0.0005 '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 0.0004 0.0010 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0017 0.0018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0100 0.0078 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.0442 0.0407 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.2462 0.4691 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -0.3344 2.3763 '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
S2 Cu1 S5 113.25(5) . . ?
S2 Cu1 S1 123.89(5) . . ?
S5 Cu1 S1 122.82(4) . . ?
S2 Cu1 Cu3 83.61(6) . . ?
S5 Cu1 Cu3 150.17(4) . . ?
S1 Cu1 Cu3 48.19(4) . . ?
S11 Cu2 S1 125.54(5) . . ?
S11 Cu2 S3 113.77(5) . . ?
S1 Cu2 S3 120.65(5) . . ?
S8 Cu3 S4 117.56(7) . . ?
S8 Cu3 S1 124.88(7) . . ?
S4 Cu3 S1 117.38(6) . . ?
S8 Cu3 Cu6 100.39(6) . . ?
S4 Cu3 Cu6 117.74(5) . . ?
S1 Cu3 Cu6 48.49(4) . . ?
S8 Cu3 Cu1 125.67(6) . . ?
S4 Cu3 Cu1 98.78(6) . . ?
S1 Cu3 Cu1 47.39(3) . . ?
Cu6 Cu3 Cu1 95.88(2) . . ?
S9 Cu4 S1 127.11(8) . . ?
S9 Cu4 S6 113.58(8) . . ?
S1 Cu4 S6 118.51(5) . . ?
S9 Cu4 Cu5 133.99(6) . . ?
S1 Cu4 Cu5 48.04(3) . . ?
S6 Cu4 Cu5 96.45(4) . . ?
S9 Cu4 Cu6 80.26(7) . . ?
S1 Cu4 Cu6 48.82(4) . . ?
S6 Cu4 Cu6 165.61(4) . . ?
Cu5 Cu4 Cu6 69.98(2) . . ?
S7 Cu5 S1 129.27(5) . . ?
S7 Cu5 S12 108.66(5) . . ?
S1 Cu5 S12 122.06(5) . . ?
S7 Cu5 Cu4 89.21(4) . . ?
S1 Cu5 Cu4 48.95(4) . . ?
S12 Cu5 Cu4 146.31(5) . . ?
S10A Cu6 S13 111.31(9) . . ?
S10A Cu6 S1 130.51(8) . . ?
S13 Cu6 S1 116.47(5) . . ?
S13 Cu6 S10B 123.16(9) . . ?
S1 Cu6 S10B 120.16(9) . . ?
S10A Cu6 Cu4 99.30(8) . . ?
S13 Cu6 Cu4 115.49(4) . . ?
S1 Cu6 Cu4 48.64(4) . . ?
S10B Cu6 Cu4 104.84(9) . . ?
S10A Cu6 Cu3 85.18(8) . . ?
S13 Cu6 Cu3 163.21(5) . . ?
S1 Cu6 Cu3 48.53(3) . . ?
S10B Cu6 Cu3 71.74(9) . . ?
Cu4 Cu6 Cu3 62.49(2) . . ?
N3 Rh1 N1 90.4(3) . . ?
N3 Rh1 N2 90.94(18) . . ?
N1 Rh1 N2 91.0(2) . . ?
N3 Rh1 S2 88.65(15) . . ?
N1 Rh1 S2 86.02(15) . . ?
N2 Rh1 S2 177.04(18) . . ?
N3 Rh1 S3 176.03(16) . . ?
N1 Rh1 S3 90.35(19) . . ?
N2 Rh1 S3 85.14(10) . . ?
S2 Rh1 S3 95.30(5) . . ?
N3 Rh1 S4 86.43(19) . . ?
N1 Rh1 S4 176.26(18) . . ?
N2 Rh1 S4 90.95(18) . . ?
S2 Rh1 S4 91.95(6) . . ?
S3 Rh1 S4 92.96(5) . . ?
N6 Rh2 N4 91.24(17) . . ?
N6 Rh2 N5 91.3(2) . . ?
N4 Rh2 N5 90.93(15) . . ?
N6 Rh2 S7 85.85(12) . . ?
N4 Rh2 S7 176.86(13) . . ?
N5 Rh2 S7 90.30(12) . . ?
N6 Rh2 S6 177.27(15) . . ?
N4 Rh2 S6 89.80(12) . . ?
N5 Rh2 S6 86.15(15) . . ?
S7 Rh2 S6 93.16(4) . . ?
N6 Rh2 S5 89.89(15) . . ?
N4 Rh2 S5 85.09(10) . . ?
N5 Rh2 S5 175.87(12) . . ?
S7 Rh2 S5 93.73(4) . . ?
S6 Rh2 S5 92.71(4) . . ?
N8 Rh3A N9A 93.9(4) . . ?
N8 Rh3A N7A 87.5(5) . . ?
N9A Rh3A N7A 92.0(5) . . ?
N8 Rh3A S9 93.6(3) . . ?
N9A Rh3A S9 90.1(3) . . ?
N7A Rh3A S9 177.5(3) . . ?
N8 Rh3A S10A 176.6(3) . . ?
N9A Rh3A S10A 85.8(3) . . ?
N7A Rh3A S10A 89.1(5) . . ?
S9 Rh3A S10A 89.86(10) . . ?
N8 Rh3A S8 88.7(2) . . ?
N9A Rh3A S8 176.7(3) . . ?
N7A Rh3A S8 85.9(4) . . ?
S9 Rh3A S8 91.86(7) . . ?
S10A Rh3A S8 91.56(9) . . ?
N9B Rh3B S8 177.1(4) . . ?
N9B Rh3B N7B 91.3(5) . . ?
S8 Rh3B N7B 86.5(3) . . ?
N9B Rh3B N8 90.8(4) . . ?
S8 Rh3B N8 91.35(18) . . ?
N7B Rh3B N8 96.8(4) . . ?
N9B Rh3B S10B 85.7(4) . . ?
S8 Rh3B S10B 92.43(11) . . ?
N7B Rh3B S10B 89.9(4) . . ?
N8 Rh3B S10B 172.5(2) . . ?
N9B Rh3B S9 91.5(4) . . ?
S8 Rh3B S9 90.94(7) . . ?
N7B Rh3B S9 173.2(4) . . ?
N8 Rh3B S9 76.9(2) . . ?
S10B Rh3B S9 96.50(10) . . ?
N10 Rh4 N11 91.21(17) . . ?
N10 Rh4 N12 91.02(18) . . ?
N11 Rh4 N12 90.60(15) . . ?
N10 Rh4 S11 86.16(12) . . ?
N11 Rh4 S11 177.28(14) . . ?
N12 Rh4 S11 90.13(11) . . ?
N10 Rh4 S12 90.05(13) . . ?
N11 Rh4 S12 84.92(11) . . ?
N12 Rh4 S12 175.42(12) . . ?
S11 Rh4 S12 94.39(4) . . ?
N10 Rh4 S13 176.15(13) . . ?
N11 Rh4 S13 90.31(13) . . ?
N12 Rh4 S13 85.43(14) . . ?
S11 Rh4 S13 92.36(5) . . ?
S12 Rh4 S13 93.61(5) . . ?
Cu5 S1 Cu1 93.39(5) . . ?
Cu5 S1 Cu2 93.57(5) . . ?
Cu1 S1 Cu2 96.13(6) . . ?
Cu5 S1 Cu4 83.02(5) . . ?
Cu1 S1 Cu4 96.80(5) . . ?
Cu2 S1 Cu4 166.80(6) . . ?
Cu5 S1 Cu6 99.01(5) . . ?
Cu1 S1 Cu6 167.40(6) . . ?
Cu2 S1 Cu6 85.42(5) . . ?
Cu4 S1 Cu6 82.54(5) . . ?
Cu5 S1 Cu3 169.11(7) . . ?
Cu1 S1 Cu3 84.42(5) . . ?
Cu2 S1 Cu3 97.27(5) . . ?
Cu4 S1 Cu3 86.65(5) . . ?
Cu6 S1 Cu3 82.98(5) . . ?
C1 S2 Cu1 106.3(2) . . ?
C1 S2 Rh1 98.2(2) . . ?
Cu1 S2 Rh1 117.42(5) . . ?
C4 S3 Cu2 103.35(18) . . ?
C4 S3 Rh1 97.49(15) . . ?
Cu2 S3 Rh1 117.97(6) . . ?
C7 S4 Cu3 107.6(2) . . ?
C7 S4 Rh1 95.4(3) . . ?
Cu3 S4 Rh1 116.48(7) . . ?
C10 S5 Cu1 103.59(16) . . ?
C10 S5 Rh2 97.86(14) . . ?
Cu1 S5 Rh2 118.92(5) . . ?
C13 S6 Cu4 108.7(2) . . ?
C13 S6 Rh2 96.8(2) . . ?
Cu4 S6 Rh2 118.73(5) . . ?
C16 S7 Cu5 105.8(2) . . ?
C16 S7 Rh2 96.92(19) . . ?
Cu5 S7 Rh2 115.89(4) . . ?
C19B S8 Rh3B 100.5(5) . . ?
C19A S8 Cu3 108.8(5) . . ?
C19B S8 Cu3 96.9(6) . . ?
Rh3B S8 Cu3 110.84(8) . . ?
C19A S8 Rh3A 91.0(5) . . ?
Cu3 S8 Rh3A 113.51(7) . . ?
C22 S9 Rh3A 95.3(3) . . ?
C22 S9 Cu4 102.3(3) . . ?
Rh3A S9 Cu4 119.01(11) . . ?
C22 S9 Rh3B 100.0(3) . . ?
Cu4 S9 Rh3B 108.31(9) . . ?
C25A S10A Cu6 105.0(6) . . ?
C25A S10A Rh3A 98.2(5) . . ?
Cu6 S10A Rh3A 113.92(11) . . ?
C25B S10B Cu6 100.2(5) . . ?
C25B S10B Rh3B 96.5(6) . . ?
Cu6 S10B Rh3B 107.89(14) . . ?
C28 S11 Cu2 105.4(2) . . ?
C28 S11 Rh4 97.6(2) . . ?
Cu2 S11 Rh4 116.33(5) . . ?
C31 S12 Cu5 102.49(17) . . ?
C31 S12 Rh4 98.63(18) . . ?
Cu5 S12 Rh4 118.26(6) . . ?
C34 S13 Cu6 107.64(19) . . ?
C34 S13 Rh4 97.2(2) . . ?
Cu6 S13 Rh4 118.59(6) . . ?
C6 O4 Na1 153.5(4) . 1_556 ?
C12 O7 Na1 152.6(3) . 1_455 ?
C33 O22 Na1 151.0(3) . . ?
C36 O23 Na2 148.7(7) . . ?
C2 N1 Rh1 113.8(5) . . ?
C2 N1 H1A 108.8 . . ?
Rh1 N1 H1A 108.8 . . ?
C2 N1 H1B 108.8 . . ?
Rh1 N1 H1B 108.8 . . ?
H1A N1 H1B 107.7 . . ?
C5 N2 Rh1 113.6(3) . . ?
C5 N2 H2A 108.8 . . ?
Rh1 N2 H2A 108.8 . . ?
C5 N2 H2B 108.8 . . ?
Rh1 N2 H2B 108.8 . . ?
H2A N2 H2B 107.7 . . ?
C8 N3 Rh1 110.8(4) . . ?
C8 N3 H3A 109.5 . . ?
Rh1 N3 H3A 109.5 . . ?
C8 N3 H3B 109.5 . . ?
Rh1 N3 H3B 109.5 . . ?
H3A N3 H3B 108.1 . . ?
C11 N4 Rh2 113.5(3) . . ?
C11 N4 H4A 108.9 . . ?
Rh2 N4 H4A 108.9 . . ?
C11 N4 H4B 108.9 . . ?
Rh2 N4 H4B 108.9 . . ?
H4A N4 H4B 107.7 . . ?
C14 N5 Rh2 109.9(3) . . ?
C14 N5 H5A 109.7 . . ?
Rh2 N5 H5A 109.7 . . ?
C14 N5 H5B 109.7 . . ?
Rh2 N5 H5B 109.7 . . ?
H5A N5 H5B 108.2 . . ?
C17 N6 Rh2 116.4(3) . . ?
C17 N6 H6A 108.2 . . ?
Rh2 N6 H6A 108.2 . . ?
C17 N6 H6B 108.2 . . ?
Rh2 N6 H6B 108.2 . . ?
H6A N6 H6B 107.3 . . ?
C20A N7A Rh3A 107.7(10) . . ?
C20A N7A H7A1 110.2 . . ?
Rh3A N7A H7A1 110.2 . . ?
C20A N7A H7A2 110.2 . . ?
Rh3A N7A H7A2 110.2 . . ?
H7A1 N7A H7A2 108.5 . . ?
C20B N7B Rh3B 109.4(9) . . ?
C20B N7B H7B1 109.8 . . ?
Rh3B N7B H7B1 109.8 . . ?
C20B N7B H7B2 109.8 . . ?
Rh3B N7B H7B2 109.8 . . ?
H7B1 N7B H7B2 108.2 . . ?
C23 N8 Rh3A 111.0(6) . . ?
C23 N8 Rh3B 123.5(5) . . ?
C23 N8 H8A 109.4 . . ?
Rh3A N8 H8A 109.4 . . ?
C23 N8 H8B 109.4 . . ?
Rh3A N8 H8B 109.4 . . ?
H8A N8 H8B 108.0 . . ?
C26A N9A Rh3A 115.9(9) . . ?
C26A N9A H9A1 108.3 . . ?
Rh3A N9A H9A1 108.3 . . ?
C26A N9A H9A2 108.3 . . ?
Rh3A N9A H9A2 108.3 . . ?
H9A1 N9A H9A2 107.4 . . ?
C26B N9B Rh3B 113.4(11) . . ?
C26B N9B H9B1 108.9 . . ?
Rh3B N9B H9B1 108.9 . . ?
C26B N9B H9B2 108.9 . . ?
Rh3B N9B H9B2 108.9 . . ?
H9B1 N9B H9B2 107.7 . . ?
C29 N10 Rh4 113.7(3) . . ?
C29 N10 H10A 108.8 . . ?
Rh4 N10 H10A 108.8 . . ?
C29 N10 H10B 108.8 . . ?
Rh4 N10 H10B 108.8 . . ?
H10A N10 H10B 107.7 . . ?
C32 N11 Rh4 113.7(3) . . ?
C32 N11 H11A 108.8 . . ?
Rh4 N11 H11A 108.8 . . ?
C32 N11 H11B 108.8 . . ?
Rh4 N11 H11B 108.8 . . ?
H11A N11 H11B 107.7 . . ?
C35 N12 Rh4 111.5(3) . . ?
C35 N12 H12A 109.3 . . ?
Rh4 N12 H12A 109.3 . . ?
C35 N12 H12B 109.3 . . ?
Rh4 N12 H12B 109.3 . . ?
H12A N12 H12B 108.0 . . ?
C2 C1 S2 108.5(6) . . ?
C2 C1 H1 110.0 . . ?
S2 C1 H1 110.0 . . ?
C2 C1 H2 110.0 . . ?
S2 C1 H2 110.0 . . ?
H1 C1 H2 108.4 . . ?
N1 C2 C1 108.8(5) . . ?
N1 C2 C3 114.5(8) . . ?
C1 C2 C3 106.2(8) . . ?
N1 C2 H3 109.1 . . ?
C1 C2 H3 109.1 . . ?
C3 C2 H3 109.1 . . ?
O2 C3 O1 124.5(16) . . ?
O2 C3 C2 122.5(15) . . ?
O1 C3 C2 112.2(10) . . ?
C5 C4 S3 108.0(3) . . ?
C5 C4 H4 110.1 . . ?
S3 C4 H4 110.1 . . ?
C5 C4 H5 110.1 . . ?
S3 C4 H5 110.1 . . ?
H4 C4 H5 108.4 . . ?
N2 C5 C4 108.6(4) . . ?
N2 C5 C6 111.1(4) . . ?
C4 C5 C6 112.5(4) . . ?
N2 C5 H6 108.2 . . ?
C4 C5 H6 108.2 . . ?
C6 C5 H6 108.2 . . ?
O4 C6 O3 124.7(5) . . ?
O4 C6 C5 117.1(4) . . ?
O3 C6 C5 118.1(5) . . ?
C8 C7 S4 112.5(5) . . ?
C8 C7 H7 109.1 . . ?
S4 C7 H7 109.1 . . ?
C8 C7 H8 109.1 . . ?
S4 C7 H8 109.1 . . ?
H7 C7 H8 107.8 . . ?
N3 C8 C7 106.8(5) . . ?
N3 C8 C9 113.2(7) . . ?
C7 C8 C9 109.3(7) . . ?
N3 C8 H9 109.1 . . ?
C7 C8 H9 109.1 . . ?
C9 C8 H9 109.1 . . ?
O6 C9 O5 126.6(7) . . ?
O6 C9 C8 117.9(8) . . ?
O5 C9 C8 115.1(8) . . ?
C11 C10 S5 108.6(3) . . ?
C11 C10 H10 110.0 . . ?
S5 C10 H10 110.0 . . ?
C11 C10 H11 110.0 . . ?
S5 C10 H11 110.0 . . ?
H10 C10 H11 108.4 . . ?
N4 C11 C10 107.6(4) . . ?
N4 C11 C12 112.3(4) . . ?
C10 C11 C12 112.7(4) . . ?
N4 C11 H12 108.0 . . ?
C10 C11 H12 108.0 . . ?
C12 C11 H12 108.0 . . ?
O7 C12 O8 124.8(4) . . ?
O7 C12 C11 118.3(4) . . ?
O8 C12 C11 116.9(4) . . ?
C14 C13 S6 110.3(4) . . ?
C14 C13 H13 109.6 . . ?
S6 C13 H13 109.6 . . ?
C14 C13 H14 109.6 . . ?
S6 C13 H14 109.6 . . ?
H13 C13 H14 108.1 . . ?
C13 C14 N5 109.2(5) . . ?
C13 C14 C15 109.3(6) . . ?
N5 C14 C15 114.0(5) . . ?
C13 C14 H15 108.1 . . ?
N5 C14 H15 108.1 . . ?
C15 C14 H15 108.1 . . ?
O9 C15 O10 124.1(6) . . ?
O9 C15 C14 117.9(7) . . ?
O10 C15 C14 118.0(6) . . ?
C17 C16 S7 110.7(4) . . ?
C17 C16 H16 109.5 . . ?
S7 C16 H16 109.5 . . ?
C17 C16 H17 109.5 . . ?
S7 C16 H17 109.5 . . ?
H16 C16 H17 108.1 . . ?
N6 C17 C16 109.0(4) . . ?
N6 C17 C18 111.1(6) . . ?
C16 C17 C18 109.3(6) . . ?
N6 C17 H18 109.1 . . ?
C16 C17 H18 109.1 . . ?
C18 C17 H18 109.1 . . ?
O11 C18 O12 123.7(9) . . ?
O11 C18 C17 117.2(7) . . ?
O12 C18 C17 117.5(8) . . ?
C20A C19A S8 114.7(11) . . ?
C20A C19A H19 108.6 . . ?
S8 C19A H19 108.6 . . ?
C20A C19A H20 108.6 . . ?
S8 C19A H20 108.6 . . ?
H19 C19A H20 107.6 . . ?
C19A C20A N7A 104.4(14) . . ?
C19A C20A C21A 109.5(13) . . ?
N7A C20A C21A 105.1(14) . . ?
C19A C20A H21 112.4 . . ?
N7A C20A H21 112.4 . . ?
C21A C20A H21 112.4 . . ?
O14A C21A O13A 131(2) . . ?
O14A C21A C20A 113.7(16) . . ?
O13A C21A C20A 115.3(17) . . ?
C20B C19B S8 105.4(12) . . ?
C20B C19B H22 110.7 . . ?
S8 C19B H22 110.7 . . ?
C20B C19B H23 110.7 . . ?
S8 C19B H23 110.7 . . ?
H22 C19B H23 108.8 . . ?
C19B C20B N7B 107.4(12) . . ?
C19B C20B C21B 109.5(14) . . ?
N7B C20B C21B 107.5(14) . . ?
C19B C20B H24 110.7 . . ?
N7B C20B H24 110.7 . . ?
C21B C20B H24 110.7 . . ?
O14B C21B O13B 126.7(18) . . ?
O14B C21B C20B 121.1(16) . . ?
O13B C21B C20B 111.8(18) . . ?
C23 C22 S9 110.8(8) . . ?
C23 C22 H25 109.5 . . ?
S9 C22 H25 109.5 . . ?
C23 C22 H26 109.5 . . ?
S9 C22 H26 109.5 . . ?
H25 C22 H26 108.1 . . ?
N8 C23 C24 118.0(10) . . ?
N8 C23 C22 108.6(7) . . ?
C24 C23 C22 104.4(10) . . ?
N8 C23 H27 108.5 . . ?
C24 C23 H27 108.5 . . ?
C22 C23 H27 108.5 . . ?
O16 C24 O15 115.8(16) . . ?
O16 C24 C23 120.9(15) . . ?
O15 C24 C23 123.2(16) . . ?
C26A C25A S10A 111.0(11) . . ?
C26A C25A H28 109.4 . . ?
S10A C25A H28 109.4 . . ?
C26A C25A H29 109.4 . . ?
S10A C25A H29 109.4 . . ?
H28 C25A H29 108.0 . . ?
N9A C26A C27A 116.6(15) . . ?
N9A C26A C25A 107.6(11) . . ?
C27A C26A C25A 103.5(14) . . ?
N9A C26A H30 109.6 . . ?
C27A C26A H30 109.6 . . ?
C25A C26A H30 109.6 . . ?
O17A C27A O18A 131(2) . . ?
O17A C27A C26A 114.9(17) . . ?
O18A C27A C26A 113.9(17) . . ?
C26B C25B S10B 109.2(10) . . ?
C26B C25B H31 109.8 . . ?
S10B C25B H31 109.8 . . ?
C26B C25B H32 109.8 . . ?
S10B C25B H32 109.8 . . ?
H31 C25B H32 108.3 . . ?
N9B C26B C27B 114.7(17) . . ?
N9B C26B C25B 108.3(11) . . ?
C27B C26B C25B 108.0(13) . . ?
N9B C26B H33 108.5 . . ?
C27B C26B H33 108.5 . . ?
C25B C26B H33 108.5 . . ?
O17B C27B O18B 127(2) . . ?
O17B C27B C26B 116.2(17) . . ?
O18B C27B C26B 116(2) . . ?
C29 C28 S11 108.5(4) . . ?
C29 C28 H34 110.0 . . ?
S11 C28 H34 110.0 . . ?
C29 C28 H35 110.0 . . ?
S11 C28 H35 110.0 . . ?
H34 C28 H35 108.4 . . ?
N10 C29 C28 110.1(5) . . ?
N10 C29 C30 110.4(7) . . ?
C28 C29 C30 110.8(6) . . ?
N10 C29 H36 108.5 . . ?
C28 C29 H36 108.5 . . ?
C30 C29 H36 108.5 . . ?
O20 C30 O19 123.6(11) . . ?
O20 C30 C29 115.3(12) . . ?
O19 C30 C29 119.1(10) . . ?
C32 C31 S12 107.2(3) . . ?
C32 C31 H37 110.3 . . ?
S12 C31 H37 110.3 . . ?
C32 C31 H38 110.3 . . ?
S12 C31 H38 110.3 . . ?
H37 C31 H38 108.5 . . ?
N11 C32 C33 110.4(4) . . ?
N11 C32 C31 107.8(4) . . ?
C33 C32 C31 111.9(4) . . ?
N11 C32 H39 108.9 . . ?
C33 C32 H39 108.9 . . ?
C31 C32 H39 108.9 . . ?
O22 C33 O21 122.0(5) . . ?
O22 C33 C32 119.3(5) . . ?
O21 C33 C32 118.6(5) . . ?
C35 C34 S13 110.2(4) . . ?
C35 C34 H40 109.6 . . ?
S13 C34 H40 109.6 . . ?
C35 C34 H41 109.6 . . ?
S13 C34 H41 109.6 . . ?
H40 C34 H41 108.1 . . ?
N12 C35 C36 113.2(5) . . ?
N12 C35 C34 109.7(4) . . ?
C36 C35 C34 110.1(5) . . ?
N12 C35 H42 107.9 . . ?
C36 C35 H42 107.9 . . ?
C34 C35 H42 107.9 . . ?
O23 C36 O24 125.4(7) . . ?
O23 C36 C35 118.7(6) . . ?
O24 C36 C35 115.8(7) . . ?
O27 Na1 O25 86.3(2) . . ?
O27 Na1 O26 89.85(19) . . ?
O25 Na1 O26 89.0(2) . . ?
O27 Na1 O4 82.1(2) . 1_554 ?
O25 Na1 O4 105.67(19) . 1_554 ?
O26 Na1 O4 162.69(18) . 1_554 ?
O27 Na1 O22 105.2(2) . . ?
O25 Na1 O22 164.50(18) . . ?
O26 Na1 O22 80.9(2) . . ?
O4 Na1 O22 86.4(2) 1_554 . ?
O27 Na1 O7 162.0(2) . 1_655 ?
O25 Na1 O7 81.00(19) . 1_655 ?
O26 Na1 O7 102.61(16) . 1_655 ?
O4 Na1 O7 89.00(18) 1_554 1_655 ?
O22 Na1 O7 89.7(2) . 1_655 ?
O23 Na2 O30 93.8(7) . . ?
O23 Na2 O29 102.5(4) . . ?
O30 Na2 O29 156.5(7) . . ?
O23 Na2 O28 85.0(4) . . ?
O30 Na2 O28 98.2(6) . . ?
O29 Na2 O28 99.9(5) . . ?
O34 Na3 O33 84.2(5) . . ?
O34 Na3 O31 171.4(6) . . ?
O33 Na3 O31 101.2(3) . . ?
O34 Na3 O32 87.0(6) . . ?
O33 Na3 O32 97.3(4) . . ?
O31 Na3 O32 98.8(4) . . ?
O34 Na3 O36 86.6(7) . . ?
O33 Na3 O36 81.0(6) . . ?
O31 Na3 O36 87.7(5) . . ?
O32 Na3 O36 173.5(5) . . ?
O34 Na3 O35 87.2(6) . . ?
O33 Na3 O35 167.5(6) . . ?
O31 Na3 O35 88.4(5) . . ?
O32 Na3 O35 73.1(7) . . ?
O36 Na3 O35 107.5(9) . . ?
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
Cu1 S2 2.2337(11) . ?
Cu1 S5 2.2338(12) . ?
Cu1 S1 2.2433(13) . ?
Cu1 Cu3 3.0335(11) . ?
Cu2 S11 2.2313(11) . ?
Cu2 S1 2.2511(14) . ?
Cu2 S3 2.2524(14) . ?
Cu3 S8 2.2425(19) . ?
Cu3 S4 2.2693(15) . ?
Cu3 S1 2.2717(13) . ?
Cu3 Cu6 3.0089(10) . ?
Cu4 S9 2.2453(18) . ?
Cu4 S1 2.2639(15) . ?
Cu4 S6 2.2689(15) . ?
Cu4 Cu5 2.9799(9) . ?
Cu4 Cu6 2.9907(10) . ?
Cu5 S7 2.2234(12) . ?
Cu5 S1 2.2324(13) . ?
Cu5 S12 2.2482(12) . ?
Cu6 S10A 2.262(3) . ?
Cu6 S13 2.2679(13) . ?
Cu6 S1 2.2701(14) . ?
Cu6 S10B 2.274(3) . ?
Rh1 N3 2.091(4) . ?
Rh1 N1 2.093(6) . ?
Rh1 N2 2.106(3) . ?
Rh1 S2 2.3052(11) . ?
Rh1 S3 2.3215(12) . ?
Rh1 S4 2.322(2) . ?
Rh2 N6 2.095(5) . ?
Rh2 N4 2.097(3) . ?
Rh2 N5 2.098(4) . ?
Rh2 S7 2.2989(10) . ?
Rh2 S6 2.3160(13) . ?
Rh2 S5 2.3232(10) . ?
Rh3A N8 1.971(7) . ?
Rh3A N9A 2.119(10) . ?
Rh3A N7A 2.136(13) . ?
Rh3A S9 2.140(2) . ?
Rh3A S10A 2.325(3) . ?
Rh3A S8 2.503(2) . ?
Rh3B N9B 2.087(10) . ?
Rh3B S8 2.135(2) . ?
Rh3B N7B 2.155(13) . ?
Rh3B N8 2.267(7) . ?
Rh3B S10B 2.345(4) . ?
Rh3B S9 2.542(3) . ?
Rh4 N10 2.089(5) . ?
Rh4 N11 2.106(3) . ?
Rh4 N12 2.117(4) . ?
Rh4 S11 2.3076(10) . ?
Rh4 S12 2.3136(12) . ?
Rh4 S13 2.3280(13) . ?
S2 C1 1.860(9) . ?
S3 C4 1.851(5) . ?
S4 C7 1.844(6) . ?
S5 C10 1.837(4) . ?
S6 C13 1.854(5) . ?
S7 C16 1.826(6) . ?
S8 C19A 1.821(15) . ?
S8 C19B 1.900(15) . ?
S9 C22 1.843(10) . ?
S10A C25A 1.827(15) . ?
S10B C25B 1.866(15) . ?
S11 C28 1.830(7) . ?
S12 C31 1.844(5) . ?
S13 C34 1.839(5) . ?
O1 C3 1.232(19) . ?
O2 C3 1.159(14) . ?
O3 C6 1.238(6) . ?
O4 C6 1.238(7) . ?
O4 Na1 2.399(5) 1_556 ?
O5 C9 1.210(13) . ?
O6 C9 1.203(11) . ?
O7 C12 1.230(7) . ?
O7 Na1 2.417(5) 1_455 ?
O8 C12 1.256(7) . ?
O9 C15 1.238(9) . ?
O10 C15 1.246(10) . ?
O11 C18 1.217(12) . ?
O12 C18 1.219(10) . ?
O13A C21A 1.29(2) . ?
O14A C21A 1.260(18) . ?
O13B C21B 1.35(3) . ?
O14B C21B 1.32(2) . ?
O15 C24 1.265(18) . ?
O16 C24 1.149(19) . ?
O17A C27A 1.223(19) . ?
O18A C27A 1.274(19) . ?
O17B C27B 1.25(2) . ?
O18B C27B 1.26(2) . ?
O19 C30 1.274(18) . ?
O20 C30 1.218(16) . ?
O21 C33 1.248(7) . ?
O22 C33 1.240(7) . ?
O22 Na1 2.400(5) . ?
O23 C36 1.205(9) . ?
O23 Na2 2.311(9) . ?
O24 C36 1.267(9) . ?
N1 C2 1.486(9) . ?
N1 H1A 0.9100 . ?
N1 H1B 0.9100 . ?
N2 C5 1.460(7) . ?
N2 H2A 0.9100 . ?
N2 H2B 0.9100 . ?
N3 C8 1.481(11) . ?
N3 H3A 0.9100 . ?
N3 H3B 0.9100 . ?
N4 C11 1.484(6) . ?
N4 H4A 0.9100 . ?
N4 H4B 0.9100 . ?
N5 C14 1.485(8) . ?
N5 H5A 0.9100 . ?
N5 H5B 0.9100 . ?
N6 C17 1.468(6) . ?
N6 H6A 0.9100 . ?
N6 H6B 0.9100 . ?
N7A C20A 1.57(2) . ?
N7A H7A1 0.9100 . ?
N7A H7A2 0.9100 . ?
N7B C20B 1.499(19) . ?
N7B H7B1 0.9100 . ?
N7B H7B2 0.9100 . ?
N8 C23 1.439(14) . ?
N8 H8A 0.9100 . ?
N8 H8B 0.9100 . ?
N9A C26A 1.469(19) . ?
N9A H9A1 0.9100 . ?
N9A H9A2 0.9100 . ?
N9B C26B 1.44(2) . ?
N9B H9B1 0.9100 . ?
N9B H9B2 0.9100 . ?
N10 C29 1.477(7) . ?
N10 H10A 0.9100 . ?
N10 H10B 0.9100 . ?
N11 C32 1.476(7) . ?
N11 H11A 0.9100 . ?
N11 H11B 0.9100 . ?
N12 C35 1.419(8) . ?
N12 H12A 0.9100 . ?
N12 H12B 0.9100 . ?
C1 C2 1.536(9) . ?
C1 H1 0.9900 . ?
C1 H2 0.9900 . ?
C2 C3 1.554(17) . ?
C2 H3 1.0000 . ?
C4 C5 1.527(7) . ?
C4 H4 0.9900 . ?
C4 H5 0.9900 . ?
C5 C6 1.549(7) . ?
C5 H6 1.0000 . ?
C7 C8 1.484(11) . ?
C7 H7 0.9900 . ?
C7 H8 0.9900 . ?
C8 C9 1.557(8) . ?
C8 H9 1.0000 . ?
C10 C11 1.528(6) . ?
C10 H10 0.9900 . ?
C10 H11 0.9900 . ?
C11 C12 1.532(6) . ?
C11 H12 1.0000 . ?
C13 C14 1.469(10) . ?
C13 H13 0.9900 . ?
C13 H14 0.9900 . ?
C14 C15 1.540(8) . ?
C14 H15 1.0000 . ?
C16 C17 1.538(8) . ?
C16 H16 0.9900 . ?
C16 H17 0.9900 . ?
C17 C18 1.561(9) . ?
C17 H18 1.0000 . ?
C19A C20A 1.479(18) . ?
C19A H19 0.9900 . ?
C19A H20 0.9900 . ?
C20A C21A 1.59(2) . ?
C20A H21 1.0000 . ?
C19B C20B 1.47(2) . ?
C19B H22 0.9900 . ?
C19B H23 0.9900 . ?
C20B C21B 1.54(2) . ?
C20B H24 1.0000 . ?
C22 C23 1.567(11) . ?
C22 H25 0.9900 . ?
C22 H26 0.9900 . ?
C23 C24 1.517(19) . ?
C23 H27 1.0000 . ?
C25A C26A 1.59(2) . ?
C25A H28 0.9900 . ?
C25A H29 0.9900 . ?
C26A C27A 1.52(3) . ?
C26A H30 1.0000 . ?
C25B C26B 1.54(2) . ?
C25B H31 0.9900 . ?
C25B H32 0.9900 . ?
C26B C27B 1.54(2) . ?
C26B H33 1.0000 . ?
C28 C29 1.531(8) . ?
C28 H34 0.9900 . ?
C28 H35 0.9900 . ?
C29 C30 1.549(10) . ?
C29 H36 1.0000 . ?
C31 C32 1.550(7) . ?
C31 H37 0.9900 . ?
C31 H38 0.9900 . ?
C32 C33 1.526(7) . ?
C32 H39 1.0000 . ?
C34 C35 1.525(8) . ?
C34 H40 0.9900 . ?
C34 H41 0.9900 . ?
C35 C36 1.515(8) . ?
C35 H42 1.0000 . ?
Na1 O27 2.383(6) . ?
Na1 O25 2.389(6) . ?
Na1 O26 2.400(5) . ?
Na2 O30 2.347(18) . ?
Na2 O29 2.367(17) . ?
Na2 O28 2.463(12) . ?
Na3 O34 2.383(11) . ?
Na3 O33 2.425(11) . ?
Na3 O31 2.443(9) . ?
Na3 O32 2.452(17) . ?
Na3 O36 2.54(2) . ?
Na3 O35 2.550(18) . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
N1 H1B O21 0.91 2.45 3.247(8) 146.3 1_556 yes
N2 H2A O27 0.91 2.30 3.156(9) 157.0 1_556 yes
N2 H2B O22 0.91 2.00 2.870(5) 159.2 1_556 yes
N3 H3B O21 0.91 2.15 3.053(8) 170.9 1_556 yes
N4 H4A O25 0.91 2.36 3.213(7) 155.9 1_455 yes
N4 H4B O4 0.91 2.01 2.885(5) 160.1 1_454 yes
N5 H5B O3 0.91 2.11 3.010(7) 171.8 1_454 yes
N6 H6B O3 0.91 2.45 3.305(7) 156.5 1_454 yes
N8 H8B^a O12 0.91 2.22 3.069(11) 154.5 2_656 yes
N10 H10B O8 0.91 2.11 2.969(5) 157.9 1_655 yes
N11 H11A O26 0.91 2.28 3.108(7) 150.4 . yes
N11 H11B O7 0.91 1.99 2.879(5) 163.8 1_655 yes
N12 H12B O7 0.91 2.58 3.266(6) 132.2 1_655 yes
N12 H12B O8 0.91 2.30 3.167(7) 159.6 1_655 yes
C8 H9 O27 1.00 2.59 3.502(9) 151.9 1_556 yes
C35 H42 O26 1.00 2.55 3.479(7) 154.7 . yes
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Cu1 S2 C1 C2 157.6(5) . . . . ?
Rh1 S2 C1 C2 35.9(6) . . . . ?
Rh1 N1 C2 C1 47.3(10) . . . . ?
Rh1 N1 C2 C3 165.9(7) . . . . ?
S2 C1 C2 N1 -54.9(10) . . . . ?
S2 C1 C2 C3 -178.6(7) . . . . ?
N1 C2 C3 O2 161.0(11) . . . . ?
C1 C2 C3 O2 -78.8(14) . . . . ?
N1 C2 C3 O1 -28.8(14) . . . . ?
C1 C2 C3 O1 91.3(12) . . . . ?
Cu2 S3 C4 C5 159.2(4) . . . . ?
Rh1 S3 C4 C5 38.0(4) . . . . ?
Rh1 N2 C5 C4 48.9(6) . . . . ?
Rh1 N2 C5 C6 173.2(4) . . . . ?
S3 C4 C5 N2 -57.9(6) . . . . ?
S3 C4 C5 C6 178.7(4) . . . . ?
Na1 O4 C6 O3 163.3(8) 1_556 . . . ?
Na1 O4 C6 C5 -18.1(16) 1_556 . . . ?
N2 C5 C6 O4 14.3(9) . . . . ?
C4 C5 C6 O4 136.3(6) . . . . ?
N2 C5 C6 O3 -167.1(6) . . . . ?
C4 C5 C6 O3 -45.1(9) . . . . ?
Cu3 S4 C7 C8 151.9(5) . . . . ?
Rh1 S4 C7 C8 31.9(6) . . . . ?
Rh1 N3 C8 C7 53.8(5) . . . . ?
Rh1 N3 C8 C9 174.2(4) . . . . ?
S4 C7 C8 N3 -57.3(7) . . . . ?
S4 C7 C8 C9 179.9(6) . . . . ?
N3 C8 C9 O6 -39.2(12) . . . . ?
C7 C8 C9 O6 79.7(13) . . . . ?
N3 C8 C9 O5 147.8(10) . . . . ?
C7 C8 C9 O5 -93.3(11) . . . . ?
Cu1 S5 C10 C11 160.0(3) . . . . ?
Rh2 S5 C10 C11 37.6(4) . . . . ?
Rh2 N4 C11 C10 49.6(4) . . . . ?
Rh2 N4 C11 C12 174.3(3) . . . . ?
S5 C10 C11 N4 -57.6(4) . . . . ?
S5 C10 C11 C12 178.0(4) . . . . ?
Na1 O7 C12 O8 -169.1(7) 1_455 . . . ?
Na1 O7 C12 C11 12.5(13) 1_455 . . . ?
N4 C11 C12 O7 4.2(7) . . . . ?
C10 C11 C12 O7 125.9(6) . . . . ?
N4 C11 C12 O8 -174.4(5) . . . . ?
C10 C11 C12 O8 -52.6(7) . . . . ?
Cu4 S6 C13 C14 154.8(4) . . . . ?
Rh2 S6 C13 C14 31.3(4) . . . . ?
S6 C13 C14 N5 -57.2(5) . . . . ?
S6 C13 C14 C15 177.5(5) . . . . ?
Rh2 N5 C14 C13 54.2(5) . . . . ?
Rh2 N5 C14 C15 176.8(5) . . . . ?
C13 C14 C15 O9 91.0(11) . . . . ?
N5 C14 C15 O9 -31.6(13) . . . . ?
C13 C14 C15 O10 -90.2(11) . . . . ?
N5 C14 C15 O10 147.3(9) . . . . ?
Cu5 S7 C16 C17 159.8(4) . . . . ?
Rh2 S7 C16 C17 40.4(4) . . . . ?
Rh2 N6 C17 C16 35.9(6) . . . . ?
Rh2 N6 C17 C18 156.4(5) . . . . ?
S7 C16 C17 N6 -51.5(6) . . . . ?
S7 C16 C17 C18 -173.1(5) . . . . ?
N6 C17 C18 O11 -27.6(11) . . . . ?
C16 C17 C18 O11 92.7(10) . . . . ?
N6 C17 C18 O12 165.9(8) . . . . ?
C16 C17 C18 O12 -73.8(10) . . . . ?
Cu3 S8 C19A C20A 155.0(14) . . . . ?
Rh3A S8 C19A C20A 39.7(16) . . . . ?
S8 C19A C20A N7A -68.0(19) . . . . ?
S8 C19A C20A C21A 179.9(13) . . . . ?
Rh3A N7A C20A C19A 57.6(16) . . . . ?
Rh3A N7A C20A C21A 172.8(10) . . . . ?
C19A C20A C21A O14A -73(2) . . . . ?
N7A C20A C21A O14A 175.7(16) . . . . ?
C19A C20A C21A O13A 110(2) . . . . ?
N7A C20A C21A O13A -1(2) . . . . ?
Rh3B S8 C19B C20B 40.0(13) . . . . ?
Cu3 S8 C19B C20B 152.8(11) . . . . ?
S8 C19B C20B N7B -59.9(16) . . . . ?
S8 C19B C20B C21B -176.4(11) . . . . ?
Rh3B N7B C20B C19B 52.1(16) . . . . ?
Rh3B N7B C20B C21B 169.9(10) . . . . ?
C19B C20B C21B O14B -27(2) . . . . ?
N7B C20B C21B O14B -143.0(15) . . . . ?
C19B C20B C21B O13B 146(2) . . . . ?
N7B C20B C21B O13B 30(2) . . . . ?
Rh3A S9 C22 C23 29.5(7) . . . . ?
Cu4 S9 C22 C23 150.7(6) . . . . ?
Rh3B S9 C22 C23 39.3(7) . . . . ?
Rh3A N8 C23 C24 163.2(9) . . . . ?
Rh3B N8 C23 C24 155.9(9) . . . . ?
Rh3A N8 C23 C22 44.7(10) . . . . ?
Rh3B N8 C23 C22 37.4(11) . . . . ?
S9 C22 C23 N8 -50.1(10) . . . . ?
S9 C22 C23 C24 -176.8(9) . . . . ?
N8 C23 C24 O16 178.6(15) . . . . ?
C22 C23 C24 O16 -61(2) . . . . ?
N8 C23 C24 O15 2(2) . . . . ?
C22 C23 C24 O15 123(2) . . . . ?
Cu6 S10A C25A C26A 152.8(10) . . . . ?
Rh3A S10A C25A C26A 35.2(11) . . . . ?
Rh3A N9A C26A C27A 158.2(12) . . . . ?
Rh3A N9A C26A C25A 42.5(17) . . . . ?
S10A C25A C26A N9A -51.7(16) . . . . ?
S10A C25A C26A C27A -175.7(11) . . . . ?
N9A C26A C27A O17A -12(2) . . . . ?
C25A C26A C27A O17A 106(2) . . . . ?
N9A C26A C27A O18A 173.1(17) . . . . ?
C25A C26A C27A O18A -69(2) . . . . ?
Cu6 S10B C25B C26B 142.2(12) . . . . ?
Rh3B S10B C25B C26B 32.6(13) . . . . ?
Rh3B N9B C26B C27B 173.4(10) . . . . ?
Rh3B N9B C26B C25B 52.7(15) . . . . ?
S10B C25B C26B N9B -56.5(17) . . . . ?
S10B C25B C26B C27B 178.6(14) . . . . ?
N9B C26B C27B O17B -15(2) . . . . ?
C25B C26B C27B O17B 106(2) . . . . ?
N9B C26B C27B O18B 175.0(17) . . . . ?
C25B C26B C27B O18B -64(2) . . . . ?
Cu2 S11 C28 C29 158.8(5) . . . . ?
Rh4 S11 C28 C29 38.8(5) . . . . ?
Rh4 N10 C29 C28 42.9(7) . . . . ?
Rh4 N10 C29 C30 165.7(6) . . . . ?
S11 C28 C29 N10 -55.0(7) . . . . ?
S11 C28 C29 C30 -177.6(7) . . . . ?
N10 C29 C30 O20 162.9(11) . . . . ?
C28 C29 C30 O20 -74.7(14) . . . . ?
N10 C29 C30 O19 -32.6(13) . . . . ?
C28 C29 C30 O19 89.7(12) . . . . ?
Cu5 S12 C31 C32 159.7(4) . . . . ?
Rh4 S12 C31 C32 38.1(4) . . . . ?
Rh4 N11 C32 C33 172.2(3) . . . . ?
Rh4 N11 C32 C31 49.7(5) . . . . ?
S12 C31 C32 N11 -57.9(5) . . . . ?
S12 C31 C32 C33 -179.4(4) . . . . ?
Na1 O22 C33 O21 168.0(8) . . . . ?
Na1 O22 C33 C32 -16.7(14) . . . . ?
N11 C32 C33 O22 20.3(7) . . . . ?
C31 C32 C33 O22 140.3(6) . . . . ?
N11 C32 C33 O21 -164.3(6) . . . . ?
C31 C32 C33 O21 -44.3(8) . . . . ?
Cu6 S13 C34 C35 152.5(3) . . . . ?
Rh4 S13 C34 C35 29.4(4) . . . . ?
Rh4 N12 C35 C36 176.5(4) . . . . ?
Rh4 N12 C35 C34 53.0(5) . . . . ?
S13 C34 C35 N12 -55.4(5) . . . . ?
S13 C34 C35 C36 179.3(4) . . . . ?
Na2 O23 C36 O24 -107.4(12) . . . . ?
Na2 O23 C36 C35 69.4(13) . . . . ?
N12 C35 C36 O23 -37.8(10) . . . . ?
C34 C35 C36 O23 85.5(9) . . . . ?
N12 C35 C36 O24 139.3(7) . . . . ?
C34 C35 C36 O24 -97.4(8) . . . . ?
