# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_K6-1
_database_code_depnum_ccdc_archive 'CCDC 1536857'
_audit_update_record             
;
2017-10-10 deposited with the CCDC.
2018-10-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C36 H60 K6 N12 O68 Rh4 S12 Zn4'
_chemical_formula_weight         3041.40

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
K K 0.1570 0.1799 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.3303 1.0646 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.7730 0.6788 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0018 0.0011 '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'
O O 0.0071 0.0042 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0038 0.0023 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.0938 0.0884 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      cubic
_space_group_IT_number           198
_space_group_name_H-M_alt        'P 21 3'
_space_group_name_Hall           'P 2ac 2ab 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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'z, x, y'
'y, z, x'
'-z+1/2, -x, y+1/2'
'-y, z+1/2, -x+1/2'
'z+1/2, -x+1/2, -y'
'-y+1/2, -z, x+1/2'
'-z, x+1/2, -y+1/2'
'y+1/2, -z+1/2, -x'

_cell_length_a                   23.52570(10)
_cell_length_b                   23.52570(10)
_cell_length_c                   23.52570(10)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     13020.50(17)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    429647
_cell_measurement_theta_min      1.634
_cell_measurement_theta_max      29.444

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.552
_exptl_crystal_F_000             6040
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.14
_exptl_absorpt_coefficient_mu    1.054
_shelx_estimated_absorpt_T_min   0.902
_shelx_estimated_absorpt_T_max   0.902
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.777
_exptl_absorpt_correction_T_max  0.806
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   
;
(HKL3000sm SCALEPACK; Otwinowski & Minor, 1997)
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.600
_diffrn_source                   'PLSII 2D bending magnet'
_diffrn_radiation_monochromator  'Si(111) double crystal monochromator'
_diffrn_measurement_device_type  'ADSC Q210 CCD area-detector'
_diffrn_measurement_method       'omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            429647
_diffrn_reflns_av_unetI/netI     0.0107
_diffrn_reflns_av_R_equivalents  0.0406
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_theta_min         1.634
_diffrn_reflns_theta_max         29.444
_diffrn_reflns_theta_full        21.100
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             20049
_reflns_number_gt                19536
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.891
_reflns_Friedel_fraction_max     0.999
_reflns_Friedel_fraction_full    0.998

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'PAL ADSC Quantum-210 ADX Program'
_computing_cell_refinement       HKL3000
_computing_data_reduction        HKL3000
_computing_structure_solution    'SHELXS-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    'Yadokari-XG 2009 (Wakita Nemoto et al., 2009)'
_computing_publication_material  
;Yadokari-XG 2009 (Wakita, Nemoto et al., 2009)
;
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1142P)²+3.2399P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 8979 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.0260(17)
_chemical_absolute_configuration rm
_refine_ls_number_reflns         20049
_refine_ls_number_parameters     425
_refine_ls_number_restraints     13
_refine_ls_R_factor_all          0.0581
_refine_ls_R_factor_gt           0.0575
_refine_ls_wR_factor_ref         0.1513
_refine_ls_wR_factor_gt          0.1502
_refine_ls_goodness_of_fit_ref   1.103
_refine_ls_restrained_S_all      1.107
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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 0.35310(2) 0.35310(2) 0.35310(2) 0.03020(8) Uani 1 3 d S T P . .
Rh2 Rh 0.50283(2) 0.59317(2) 0.36318(2) 0.03339(7) Uani 1 1 d . . . . .
Zn1 Zn 0.38674(2) 0.49641(2) 0.42985(2) 0.02626(7) Uani 1 1 d . . . . .
Zn2 Zn 0.50191(2) 0.50191(2) 0.50191(2) 0.02861(10) Uani 1 3 d S T P . .
S1 S 0.31676(3) 0.43313(4) 0.39917(3) 0.02919(13) Uani 1 1 d . . . . .
S2 S 0.41256(4) 0.55401(4) 0.35331(4) 0.03229(14) Uani 1 1 d . . . . .
S3 S 0.50271(5) 0.59355(4) 0.46266(4) 0.03665(16) Uani 1 1 d . . . . .
S4 S 0.55105(4) 0.50665(4) 0.35464(5) 0.03694(17) Uani 1 1 d . . . . .
O1 O 0.45396(9) 0.45396(9) 0.45396(9) 0.0248(6) Uani 1 3 d S T P . .
O2 O 0.2317(5) 0.4205(7) 0.2032(3) 0.156(7) Uani 1 1 d . . . . .
O3 O 0.1807(7) 0.4582(10) 0.2501(9) 0.195(8) Uani 1 1 d . U . . .
O4 O 0.3949(6) 0.7637(4) 0.3762(8) 0.166(6) Uani 1 1 d . U . . .
O5 O 0.3209(3) 0.7272(3) 0.3300(3) 0.0782(17) Uani 1 1 d . . . . .
O6 O 0.6816(5) 0.6836(8) 0.3919(7) 0.179(8) Uani 1 1 d . . . . .
O7 O 0.6624(4) 0.7067(4) 0.4798(5) 0.113(3) Uani 1 1 d D . . . .
O8 O 0.5248(5) 0.5895(4) 0.1608(3) 0.095(2) Uani 1 1 d . . . . .
O9 O 0.6001(7) 0.5317(6) 0.1669(5) 0.171(8) Uani 1 1 d . . . . .
N1 N 0.30744(19) 0.3816(2) 0.28251(17) 0.0452(8) Uani 1 1 d . . . . .
H1 H 0.3318 0.3979 0.2573 0.054 Uiso 1 1 calc R U . . .
H2 H 0.2908 0.3513 0.2650 0.054 Uiso 1 1 calc R U . . .
N2 N 0.46010(18) 0.67159(14) 0.36518(17) 0.0407(6) Uani 1 1 d . . . . .
H3 H 0.4579 0.6837 0.4019 0.049 Uiso 1 1 calc R U . . .
H4 H 0.4808 0.6976 0.3454 0.049 Uiso 1 1 calc R U . . .
N3 N 0.5813(2) 0.63449(17) 0.3702(2) 0.0490(9) Uani 1 1 d . . . . .
H5 H 0.6096 0.6090 0.3635 0.059 Uiso 1 1 calc R U . . .
H6 H 0.5835 0.6620 0.3431 0.059 Uiso 1 1 calc R U . . .
N4 N 0.5091(2) 0.59714(16) 0.27404(18) 0.0456(8) Uani 1 1 d . . . . .
H7 H 0.4755 0.5861 0.2584 0.055 Uiso 1 1 calc R U . . .
H8 H 0.5158 0.6337 0.2633 0.055 Uiso 1 1 calc R U . . .
C1 C 0.28837(19) 0.4688(2) 0.3360(2) 0.0425(8) Uani 1 1 d . . . . .
H9 H 0.2591 0.4969 0.3471 0.051 Uiso 1 1 calc R U . . .
H10 H 0.3192 0.4888 0.3156 0.051 Uiso 1 1 calc R U . . .
C2 C 0.2626(2) 0.4237(3) 0.2985(2) 0.0484(10) Uani 1 1 d . . . . .
H11 H 0.2330 0.4033 0.3212 0.058 Uiso 1 1 calc R U . . .
C3 C 0.2335(3) 0.4476(4) 0.2447(3) 0.071(2) Uani 1 1 d . . . . .
C4 C 0.3706(2) 0.61823(18) 0.3669(2) 0.0449(8) Uani 1 1 d . . . . .
H12 H 0.3324 0.6144 0.3495 0.054 Uiso 1 1 calc R U . . .
H13 H 0.3658 0.6238 0.4083 0.054 Uiso 1 1 calc R U . . .
C5 C 0.4020(2) 0.66911(19) 0.3409(2) 0.0445(8) Uani 1 1 d . . . . .
H14 H 0.4053 0.6627 0.2990 0.053 Uiso 1 1 calc R U . . .
C6 C 0.3697(4) 0.7246(3) 0.3505(4) 0.0709(19) Uani 1 1 d . . . . .
C7 C 0.5768(3) 0.6167(3) 0.4731(3) 0.0550(12) Uani 1 1 d . . . . .
H15 H 0.5814 0.6339 0.5112 0.066 Uiso 1 1 calc R U . . .
H16 H 0.6028 0.5838 0.4700 0.066 Uiso 1 1 calc R U . . .
C8 C 0.5904(3) 0.6606(2) 0.4267(3) 0.0559(12) Uani 1 1 d . . . . .
H17 H 0.5633 0.6931 0.4309 0.067 Uiso 1 1 calc R U . . .
C9 C 0.6518(4) 0.6839(4) 0.4334(6) 0.088(3) Uani 1 1 d . . . . .
C10 C 0.5472(3) 0.5008(2) 0.2776(2) 0.0538(13) Uani 1 1 d . . . . .
H18 H 0.5772 0.4748 0.2635 0.065 Uiso 1 1 calc R U . . .
H19 H 0.5098 0.4852 0.2661 0.065 Uiso 1 1 calc R U . . .
C11 C 0.5554(4) 0.5602(2) 0.2524(3) 0.0621(17) Uani 1 1 d . . . . .
H20 H 0.5926 0.5757 0.2659 0.075 Uiso 1 1 calc R U . . .
C12 C 0.5565(7) 0.5568(4) 0.1865(4) 0.108(5) Uani 1 1 d . . . . .
K1 K 0.28518(16) 0.71482(16) 0.21482(16) 0.0965(13) Uani 1 3 d S T P . .
K2 K 0.4000(4) 0.6000(4) 0.1000(4) 0.239(7) Uani 1 3 d S T P . .
K3A K 0.1943(5) 0.2879(5) 0.2006(5) 0.106(2) Uiso 0.3333 1 d . . P . 1
K4A K 0.2580(7) 0.8229(8) 0.3488(7) 0.146(5) Uiso 0.3333 1 d . . P . 1
K5A K 0.7268(6) 0.8017(6) 0.4921(6) 0.124(3) Uiso 0.3333 1 d . . P A 1
K6A K 0.4774(7) 0.4185(7) 0.1657(8) 0.146(5) Uiso 0.3333 1 d . . P . 1
O10 O 0.7287(7) 0.8191(8) 0.6083(7) 0.158(6) Uani 1 1 d . . . . .
O11 O 0.3100(18) 0.3009(18) 0.1738(19) 0.240(16) Uiso 0.6666 1 d . . P . 1
O12 O 0.2871(7) 0.5979(7) 0.2415(7) 0.104(4) Uiso 0.6666 1 d . . P . 1
O13 O 0.3731(5) 0.4579(6) 0.2022(4) 0.140(5) Uani 1 1 d . . . . .
O14 O 0.3956(10) 0.5764(9) 0.2118(6) 0.192(9) Uani 1 1 d . . . . .
O15 O 0.5811(7) 0.3659(7) 0.1884(11) 0.192(8) Uani 1 1 d . . . . .
O16 O 0.6910(6) 0.5691(9) 0.3292(10) 0.191(9) Uani 1 1 d . . . . .
O17 O 0.6678(9) 0.6167(8) 0.0994(12) 0.226(12) Uani 1 1 d . . . . .
O18 O 0.5012(10) 0.7897(16) 0.4240(16) 0.34(2) Uani 1 1 d . . . . .
O19 O 0.2022(13) 0.180(2) 0.135(3) 0.42(5) Uani 1 1 d . . . . .
O20 O 0.409(3) 0.7208(18) 0.4919(16) 0.42(3) Uani 1 1 d . . . . .
O21 O 0.4997(7) 0.7422(8) 0.2776(8) 0.200(10) Uani 1 1 d . . . . .
O22 O 0.347(3) 0.926(3) 0.595(3) 0.19(2) Uiso 0.3333 1 d . . P B 1
O23 O 0.6184(11) 0.4550(11) 0.0830(12) 0.123(7) Uiso 0.5 1 d . . P C 1
O24 O 0.452(2) 0.487(2) 0.070(2) 0.28(2) Uiso 0.6666 1 d . . P . 1
O25 O 0.145(3) 0.854(3) 0.403(2) 0.24(2) Uiso 0.5 1 d . . P . 1
O26 O 0.5994(18) 0.753(2) 0.5558(17) 0.207(17) Uiso 0.5 1 d D . P D 1
O27 O 0.3943(19) 0.8538(19) 0.4383(19) 0.191(15) Uiso 0.5 1 d . . P E 1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 N1 2.088(4) 6 ?
Rh1 N1 2.088(4) 5 ?
Rh1 N1 2.088(4) . ?
Rh1 S1 2.3345(9) . ?
Rh1 S1 2.3345(9) 6 ?
Rh1 S1 2.3346(9) 5 ?
Rh2 N3 2.093(4) . ?
Rh2 N2 2.101(4) . ?
Rh2 N4 2.104(4) . ?
Rh2 S2 2.3266(10) . ?
Rh2 S4 2.3387(9) . ?
Rh2 S3 2.3405(10) . ?
Zn1 O1 1.9544(14) . ?
Zn1 S2 2.3340(9) . ?
Zn1 S1 2.3340(9) . ?
Zn1 S4 2.3427(9) 5 ?
Zn2 O1 1.954(4) . ?
Zn2 S3 2.3454(9) 6 ?
Zn2 S3 2.3454(9) . ?
Zn2 S3 2.3454(9) 5 ?
S1 C1 1.832(4) . ?
S1 K6A 3.731(18) 5 ?
S2 C4 1.833(4) . ?
S3 C7 1.842(6) . ?
S4 C10 1.821(5) . ?
S4 Zn1 2.3426(9) 6 ?
O1 Zn1 1.9544(14) 6 ?
O1 Zn1 1.9544(14) 5 ?
O2 C3 1.165(15) . ?
O2 K3A 3.24(2) . ?
O3 C3 1.273(18) . ?
O3 O21 1.41(2) 7_564 ?
O4 C6 1.249(14) . ?
O5 C6 1.246(11) . ?
O5 K4A 2.729(19) . ?
O5 K1 2.853(8) . ?
O6 C9 1.203(17) . ?
O6 K3A 2.187(19) 8_655 ?
O7 C9 1.241(16) . ?
O7 K5A 2.716(15) . ?
O8 C12 1.230(15) . ?
O8 K2 3.277(12) . ?
O9 C12 1.270(14) . ?
O9 K5A 2.76(2) 10_664 ?
N1 C2 1.496(8) . ?
N1 H1 0.9100 . ?
N1 H2 0.9100 . ?
N2 C5 1.483(7) . ?
N2 H3 0.9100 . ?
N2 H4 0.9100 . ?
N3 C8 1.480(9) . ?
N3 H5 0.9100 . ?
N3 H6 0.9100 . ?
N4 C11 1.484(7) . ?
N4 H7 0.9100 . ?
N4 H8 0.9100 . ?
C1 C2 1.507(8) . ?
C1 K6A 3.484(18) 5 ?
C1 H9 0.9900 . ?
C1 H10 0.9900 . ?
C2 C3 1.544(7) . ?
C2 H11 1.0000 . ?
C3 O21 1.27(2) 7_564 ?
C4 C5 1.533(7) . ?
C4 H12 0.9900 . ?
C4 H13 0.9900 . ?
C5 C6 1.528(8) . ?
C5 H14 1.0000 . ?
C6 K4A 3.499(19) . ?
C7 C8 1.535(8) . ?
C7 H15 0.9900 . ?
C7 H16 0.9900 . ?
C8 C9 1.553(10) . ?
C8 H17 1.0000 . ?
C9 K3A 3.346(17) 8_655 ?
C10 C11 1.530(7) . ?
C10 H18 0.9900 . ?
C10 H19 0.9900 . ?
C11 C12 1.553(12) . ?
C11 H20 1.0000 . ?
K1 O12 2.821(17) . ?
K1 O12 2.821(17) 8_655 ?
K1 O12 2.821(17) 7_564 ?
K1 O5 2.853(8) 7_564 ?
K1 O5 2.853(8) 8_655 ?
K1 K4A 4.099(19) . ?
K1 K4A 4.099(19) 7_564 ?
K1 K4A 4.099(19) 8_655 ?
K1 K2 4.678(19) . ?
K2 O14 2.690(16) . ?
K2 O14 2.690(16) 8_655 ?
K2 O14 2.690(16) 7_564 ?
K2 O24 3.01(5) 7_564 ?
K2 O24 3.01(5) 8_655 ?
K2 O24 3.01(5) . ?
K2 O8 3.277(12) 7_564 ?
K2 O8 3.277(12) 8_655 ?
K2 K6A 4.89(2) 7_564 ?
K2 K6A 4.89(2) 8_655 ?
K3A O6 2.187(19) 7_564 ?
K3A O11 2.46(4) 5 ?
K3A O19 2.50(5) 5 ?
K3A O11 2.81(4) . ?
K3A O19 2.97(4) . ?
K3A K3A 3.015(19) 5 ?
K3A K3A 3.015(19) 6 ?
K3A O16 3.18(2) 7_564 ?
K3A C9 3.346(17) 7_564 ?
K3A K5A 4.911(18) 4_645 ?
K3A K5A 5.001(18) 7_564 ?
K4A O10 2.83(2) 12_466 ?
K4A O25 3.04(6) . ?
K4A O26 3.11(5) 12_466 ?
K4A K4A 3.21(3) 7_564 ?
K4A K4A 3.21(3) 8_655 ?
K4A O25 3.24(6) 8_655 ?
K4A K5A 4.81(2) 3_466 ?
K4A K5A 4.81(2) 12_466 ?
K5A O10 2.76(2) . ?
K5A O9 2.76(2) 9_566 ?
K5A O16 2.81(2) 9_566 ?
K5A K4A 4.81(2) 3_566 ?
K5A K4A 4.81(2) 11_656 ?
K5A K3A 4.911(18) 4_655 ?
K5A K3A 5.001(18) 8_655 ?
K6A O13 2.76(2) . ?
K6A O15 2.79(2) . ?
K6A O24 2.84(5) . ?
K6A O17 2.95(3) 7_564 ?
K6A C1 3.484(18) 6 ?
K6A S1 3.731(18) 6 ?
O10 K4A 2.83(2) 11_656 ?
O11 K3A 2.46(4) 6 ?
O16 K5A 2.81(2) 10_664 ?
O16 K3A 3.18(2) 8_655 ?
O17 K6A 2.95(3) 8_655 ?
O19 K3A 2.50(5) 6 ?
O21 C3 1.27(2) 8_655 ?
O21 O3 1.41(2) 8_655 ?
O25 O25 1.63(9) 7_564 ?
O25 O25 1.63(9) 8_655 ?
O25 K4A 3.24(6) 7_564 ?
O26 K4A 3.11(5) 11_656 ?

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
N1 Rh1 N1 90.66(18) 6 5 ?
N1 Rh1 N1 90.66(18) 6 . ?
N1 Rh1 N1 90.66(18) 5 . ?
N1 Rh1 S1 176.09(14) 6 . ?
N1 Rh1 S1 88.54(13) 5 . ?
N1 Rh1 S1 85.52(13) . . ?
N1 Rh1 S1 85.51(13) 6 6 ?
N1 Rh1 S1 176.09(14) 5 6 ?
N1 Rh1 S1 88.54(13) . 6 ?
S1 Rh1 S1 95.22(3) . 6 ?
N1 Rh1 S1 88.54(13) 6 5 ?
N1 Rh1 S1 85.51(13) 5 5 ?
N1 Rh1 S1 176.08(14) . 5 ?
S1 Rh1 S1 95.22(3) . 5 ?
S1 Rh1 S1 95.22(3) 6 5 ?
N3 Rh2 N2 90.71(17) . . ?
N3 Rh2 N4 89.8(2) . . ?
N2 Rh2 N4 90.96(15) . . ?
N3 Rh2 S2 175.54(12) . . ?
N2 Rh2 S2 85.02(12) . . ?
N4 Rh2 S2 88.96(14) . . ?
N3 Rh2 S4 89.04(12) . . ?
N2 Rh2 S4 176.32(11) . . ?
N4 Rh2 S4 85.36(11) . . ?
S2 Rh2 S4 95.14(3) . . ?
N3 Rh2 S3 85.41(15) . . ?
N2 Rh2 S3 88.48(11) . . ?
N4 Rh2 S3 175.20(14) . . ?
S2 Rh2 S3 95.75(4) . . ?
S4 Rh2 S3 95.16(4) . . ?
O1 Zn1 S2 108.06(3) . . ?
O1 Zn1 S1 109.55(10) . . ?
S2 Zn1 S1 108.38(3) . . ?
O1 Zn1 S4 108.50(9) . 5 ?
S2 Zn1 S4 111.12(4) . 5 ?
S1 Zn1 S4 111.17(4) . 5 ?
O1 Zn2 S3 107.94(3) . 6 ?
O1 Zn2 S3 107.94(3) . . ?
S3 Zn2 S3 110.95(3) 6 . ?
O1 Zn2 S3 107.94(3) . 5 ?
S3 Zn2 S3 110.96(3) 6 5 ?
S3 Zn2 S3 110.95(3) . 5 ?
C1 S1 Zn1 102.47(17) . . ?
C1 S1 Rh1 97.25(16) . . ?
Zn1 S1 Rh1 113.56(3) . . ?
C1 S1 K6A 67.9(3) . 5 ?
Zn1 S1 K6A 117.2(3) . 5 ?
Rh1 S1 K6A 129.1(3) . 5 ?
C4 S2 Rh2 98.52(17) . . ?
C4 S2 Zn1 101.76(16) . . ?
Rh2 S2 Zn1 112.98(4) . . ?
C7 S3 Rh2 97.6(2) . . ?
C7 S3 Zn2 103.15(19) . . ?
Rh2 S3 Zn2 112.96(4) . . ?
C10 S4 Rh2 97.33(16) . . ?
C10 S4 Zn1 103.6(2) . 6 ?
Rh2 S4 Zn1 112.17(4) . 6 ?
Zn2 O1 Zn1 109.86(11) . 6 ?
Zn2 O1 Zn1 109.86(11) . 5 ?
Zn1 O1 Zn1 109.08(11) 6 5 ?
Zn2 O1 Zn1 109.86(11) . . ?
Zn1 O1 Zn1 109.08(11) 6 . ?
Zn1 O1 Zn1 109.08(11) 5 . ?
C3 O2 K3A 123.4(10) . . ?
C3 O3 O21 56.3(12) . 7_564 ?
C6 O5 K4A 118.5(7) . . ?
C6 O5 K1 129.4(7) . . ?
K4A O5 K1 94.5(4) . . ?
C9 O6 K3A 160.6(16) . 8_655 ?
C9 O7 K5A 124.2(8) . . ?
C12 O8 K2 143.6(10) . . ?
C12 O9 K5A 125.7(12) . 10_664 ?
C2 N1 Rh1 112.1(3) . . ?
C2 N1 H1 109.2 . . ?
Rh1 N1 H1 109.2 . . ?
C2 N1 H2 109.2 . . ?
Rh1 N1 H2 109.2 . . ?
H1 N1 H2 107.9 . . ?
C5 N2 Rh2 113.5(3) . . ?
C5 N2 H3 108.9 . . ?
Rh2 N2 H3 108.9 . . ?
C5 N2 H4 108.9 . . ?
Rh2 N2 H4 108.9 . . ?
H3 N2 H4 107.7 . . ?
C8 N3 Rh2 113.0(3) . . ?
C8 N3 H5 109.0 . . ?
Rh2 N3 H5 109.0 . . ?
C8 N3 H6 109.0 . . ?
Rh2 N3 H6 109.0 . . ?
H5 N3 H6 107.8 . . ?
C11 N4 Rh2 111.5(4) . . ?
C11 N4 H7 109.3 . . ?
Rh2 N4 H7 109.3 . . ?
C11 N4 H8 109.3 . . ?
Rh2 N4 H8 109.3 . . ?
H7 N4 H8 108.0 . . ?
C2 C1 S1 107.5(3) . . ?
C2 C1 K6A 91.9(4) . 5 ?
S1 C1 K6A 82.9(3) . 5 ?
C2 C1 H9 110.2 . . ?
S1 C1 H9 110.2 . . ?
K6A C1 H9 40.4 5 . ?
C2 C1 H10 110.2 . . ?
S1 C1 H10 110.2 . . ?
K6A C1 H10 148.2 5 . ?
H9 C1 H10 108.5 . . ?
N1 C2 C1 109.2(4) . . ?
N1 C2 C3 110.3(5) . . ?
C1 C2 C3 113.8(6) . . ?
N1 C2 H11 107.8 . . ?
C1 C2 H11 107.8 . . ?
C3 C2 H11 107.8 . . ?
O2 C3 O21 119.2(11) . 7_564 ?
O2 C3 O3 99.0(14) . . ?
O21 C3 O3 67.1(12) 7_564 . ?
O2 C3 C2 120.2(9) . . ?
O21 C3 C2 118.9(9) 7_564 . ?
O3 C3 C2 114.8(10) . . ?
C5 C4 S2 108.3(3) . . ?
C5 C4 H12 110.0 . . ?
S2 C4 H12 110.0 . . ?
C5 C4 H13 110.0 . . ?
S2 C4 H13 110.0 . . ?
H12 C4 H13 108.4 . . ?
N2 C5 C6 111.6(5) . . ?
N2 C5 C4 108.8(3) . . ?
C6 C5 C4 111.7(5) . . ?
N2 C5 H14 108.2 . . ?
C6 C5 H14 108.2 . . ?
C4 C5 H14 108.2 . . ?
O5 C6 O4 126.1(7) . . ?
O5 C6 C5 116.2(7) . . ?
O4 C6 C5 117.6(8) . . ?
O5 C6 K4A 43.3(5) . . ?
O4 C6 K4A 83.0(6) . . ?
C5 C6 K4A 159.4(6) . . ?
C8 C7 S3 107.6(4) . . ?
C8 C7 H15 110.2 . . ?
S3 C7 H15 110.2 . . ?
C8 C7 H16 110.2 . . ?
S3 C7 H16 110.2 . . ?
H15 C7 H16 108.5 . . ?
N3 C8 C7 109.2(4) . . ?
N3 C8 C9 111.8(7) . . ?
C7 C8 C9 111.1(7) . . ?
N3 C8 H17 108.2 . . ?
C7 C8 H17 108.2 . . ?
C9 C8 H17 108.2 . . ?
O6 C9 O7 126.8(9) . . ?
O6 C9 C8 117.3(11) . . ?
O7 C9 C8 115.4(10) . . ?
O6 C9 K3A 12.5(11) . 8_655 ?
O7 C9 K3A 130.8(6) . 8_655 ?
C8 C9 K3A 110.2(7) . 8_655 ?
C11 C10 S4 108.0(4) . . ?
C11 C10 H18 110.1 . . ?
S4 C10 H18 110.1 . . ?
C11 C10 H19 110.1 . . ?
S4 C10 H19 110.1 . . ?
H18 C10 H19 108.4 . . ?
N4 C11 C10 108.1(4) . . ?
N4 C11 C12 112.6(7) . . ?
C10 C11 C12 109.9(6) . . ?
N4 C11 H20 108.7 . . ?
C10 C11 H20 108.7 . . ?
C12 C11 H20 108.7 . . ?
O8 C12 O9 126.9(8) . . ?
O8 C12 C11 116.6(7) . . ?
O9 C12 C11 113.7(12) . . ?
O12 K1 O12 101.8(4) . 8_655 ?
O12 K1 O12 101.8(4) . 7_564 ?
O12 K1 O12 101.8(4) 8_655 7_564 ?
O12 K1 O5 83.3(3) . . ?
O12 K1 O5 72.9(4) 8_655 . ?
O12 K1 O5 173.4(4) 7_564 . ?
O12 K1 O5 72.9(4) . 7_564 ?
O12 K1 O5 173.4(4) 8_655 7_564 ?
O12 K1 O5 83.3(3) 7_564 7_564 ?
O5 K1 O5 102.30(19) . 7_564 ?
O12 K1 O5 173.4(4) . 8_655 ?
O12 K1 O5 83.3(3) 8_655 8_655 ?
O12 K1 O5 72.9(4) 7_564 8_655 ?
O5 K1 O5 102.30(19) . 8_655 ?
O5 K1 O5 102.30(19) 7_564 8_655 ?
O12 K1 K4A 115.8(4) . . ?
O12 K1 K4A 91.5(4) 8_655 . ?
O12 K1 K4A 136.5(4) 7_564 . ?
O5 K1 K4A 41.6(3) . . ?
O5 K1 K4A 87.5(3) 7_564 . ?
O5 K1 K4A 67.8(3) 8_655 . ?
O12 K1 K4A 91.5(4) . 7_564 ?
O12 K1 K4A 136.5(4) 8_655 7_564 ?
O12 K1 K4A 115.8(4) 7_564 7_564 ?
O5 K1 K4A 67.8(3) . 7_564 ?
O5 K1 K4A 41.6(3) 7_564 7_564 ?
O5 K1 K4A 87.5(3) 8_655 7_564 ?
K4A K1 K4A 46.1(4) . 7_564 ?
O12 K1 K4A 136.5(4) . 8_655 ?
O12 K1 K4A 115.8(4) 8_655 8_655 ?
O12 K1 K4A 91.5(4) 7_564 8_655 ?
O5 K1 K4A 87.5(3) . 8_655 ?
O5 K1 K4A 67.8(3) 7_564 8_655 ?
O5 K1 K4A 41.6(3) 8_655 8_655 ?
K4A K1 K4A 46.1(4) . 8_655 ?
K4A K1 K4A 46.1(4) 7_564 8_655 ?
O12 K1 K2 63.7(3) . . ?
O12 K1 K2 63.7(3) 8_655 . ?
O12 K1 K2 63.7(3) 7_564 . ?
O5 K1 K2 115.94(16) . . ?
O5 K1 K2 115.94(16) 7_564 . ?
O5 K1 K2 115.94(16) 8_655 . ?
K4A K1 K2 153.1(2) . . ?
K4A K1 K2 153.1(2) 7_564 . ?
K4A K1 K2 153.1(2) 8_655 . ?
O14 K2 O14 100.0(9) . 8_655 ?
O14 K2 O14 100.0(9) . 7_564 ?
O14 K2 O14 100.0(9) 8_655 7_564 ?
O14 K2 O24 142.1(12) . 7_564 ?
O14 K2 O24 112.3(13) 8_655 7_564 ?
O14 K2 O24 93.7(10) 7_564 7_564 ?
O14 K2 O24 112.3(13) . 8_655 ?
O14 K2 O24 93.7(10) 8_655 8_655 ?
O14 K2 O24 142.1(12) 7_564 8_655 ?
O24 K2 O24 48.5(15) 7_564 8_655 ?
O14 K2 O24 93.7(10) . . ?
O14 K2 O24 142.1(12) 8_655 . ?
O14 K2 O24 112.3(13) 7_564 . ?
O24 K2 O24 48.5(15) 7_564 . ?
O24 K2 O24 48.5(15) 8_655 . ?
O14 K2 O8 65.9(5) . . ?
O14 K2 O8 82.7(4) 8_655 . ?
O14 K2 O8 165.8(6) 7_564 . ?
O24 K2 O8 98.2(10) 7_564 . ?
O24 K2 O8 50.7(10) 8_655 . ?
O24 K2 O8 71.0(11) . . ?
O14 K2 O8 82.7(4) . 7_564 ?
O14 K2 O8 165.8(6) 8_655 7_564 ?
O14 K2 O8 65.9(5) 7_564 7_564 ?
O24 K2 O8 71.0(11) 7_564 7_564 ?
O24 K2 O8 98.2(10) 8_655 7_564 ?
O24 K2 O8 50.7(10) . 7_564 ?
O8 K2 O8 110.9(3) . 7_564 ?
O14 K2 O8 165.8(6) . 8_655 ?
O14 K2 O8 65.9(5) 8_655 8_655 ?
O14 K2 O8 82.7(4) 7_564 8_655 ?
O24 K2 O8 50.7(10) 7_564 8_655 ?
O24 K2 O8 71.0(11) 8_655 8_655 ?
O24 K2 O8 98.2(10) . 8_655 ?
O8 K2 O8 110.9(3) . 8_655 ?
O8 K2 O8 110.9(3) 7_564 8_655 ?
O14 K2 K1 62.2(7) . . ?
O14 K2 K1 62.2(7) 8_655 . ?
O14 K2 K1 62.2(7) 7_564 . ?
O24 K2 K1 151.7(9) 7_564 . ?
O24 K2 K1 151.7(9) 8_655 . ?
O24 K2 K1 151.7(9) . . ?
O8 K2 K1 108.0(3) . . ?
O8 K2 K1 108.0(3) 7_564 . ?
O8 K2 K1 108.0(3) 8_655 . ?
O14 K2 K6A 139.9(4) . 7_564 ?
O14 K2 K6A 117.5(5) 8_655 7_564 ?
O14 K2 K6A 61.6(6) 7_564 7_564 ?
O24 K2 K6A 32.1(10) 7_564 7_564 ?
O24 K2 K6A 80.6(11) 8_655 7_564 ?
O24 K2 K6A 65.9(11) . 7_564 ?
O8 K2 K6A 129.5(5) . 7_564 ?
O8 K2 K6A 57.5(3) 7_564 7_564 ?
O8 K2 K6A 53.4(3) 8_655 7_564 ?
K1 K2 K6A 122.5(3) . 7_564 ?
O14 K2 K6A 117.5(5) . 8_655 ?
O14 K2 K6A 61.6(6) 8_655 8_655 ?
O14 K2 K6A 139.9(4) 7_564 8_655 ?
O24 K2 K6A 65.9(11) 7_564 8_655 ?
O24 K2 K6A 32.1(10) 8_655 8_655 ?
O24 K2 K6A 80.6(11) . 8_655 ?
O8 K2 K6A 53.4(3) . 8_655 ?
O8 K2 K6A 129.5(5) 7_564 8_655 ?
O8 K2 K6A 57.5(3) 8_655 8_655 ?
K1 K2 K6A 122.5(3) . 8_655 ?
K6A K2 K6A 93.9(4) 7_564 8_655 ?
O6 K3A O11 85.7(12) 7_564 5 ?
O6 K3A O19 73.1(11) 7_564 5 ?
O11 K3A O19 104.0(19) 5 5 ?
O6 K3A O11 145.2(10) 7_564 . ?
O11 K3A O11 112(2) 5 . ?
O19 K3A O11 126.0(18) 5 . ?
O6 K3A O19 104.0(10) 7_564 . ?
O11 K3A O19 133.8(17) 5 . ?
O19 K3A O19 41(2) 5 . ?
O11 K3A O19 85.1(11) . . ?
O6 K3A K3A 114.2(6) 7_564 5 ?
O11 K3A K3A 60.7(11) 5 5 ?
O19 K3A K3A 64.4(9) 5 5 ?
O11 K3A K3A 100.6(10) . 5 ?
O19 K3A K3A 74.4(14) . 5 ?
O6 K3A K3A 153.1(5) 7_564 6 ?
O11 K3A K3A 109.5(11) 5 6 ?
O19 K3A K3A 81.5(12) 5 6 ?
O11 K3A K3A 49.9(9) . 6 ?
O19 K3A K3A 49.4(9) . 6 ?
K3A K3A K3A 60.0 5 6 ?
O6 K3A O16 67.1(6) 7_564 7_564 ?
O11 K3A O16 149.9(11) 5 7_564 ?
O19 K3A O16 81.0(12) 5 7_564 ?
O11 K3A O16 86.1(11) . 7_564 ?
O19 K3A O16 68.6(14) . 7_564 ?
K3A K3A O16 141.7(4) 5 7_564 ?
K3A K3A O16 100.6(6) 6 7_564 ?
O6 K3A O2 86.5(5) 7_564 . ?
O11 K3A O2 80.4(10) 5 . ?
O19 K3A O2 158.6(9) 5 . ?
O11 K3A O2 68.7(9) . . ?
O19 K3A O2 144.2(12) . . ?
K3A K3A O2 132.6(3) 5 . ?
K3A K3A O2 117.3(4) 6 . ?
O16 K3A O2 85.1(4) 7_564 . ?
O6 K3A C9 6.9(5) 7_564 7_564 ?
O11 K3A C9 81.3(11) 5 7_564 ?
O19 K3A C9 79.4(11) 5 7_564 ?
O11 K3A C9 142.9(10) . 7_564 ?
O19 K3A C9 110.8(9) . 7_564 ?
K3A K3A C9 115.7(5) 5 7_564 ?
K3A K3A C9 159.9(3) 6 7_564 ?
O16 K3A C9 70.4(5) 7_564 7_564 ?
O2 K3A C9 80.7(4) . 7_564 ?
O6 K3A K5A 99.2(5) 7_564 4_645 ?
O11 K3A K5A 160.8(11) 5 4_645 ?
O19 K3A K5A 95.1(15) 5 4_645 ?
O11 K3A K5A 54.5(9) . 4_645 ?
O19 K3A K5A 63.3(13) . 4_645 ?
K3A K3A K5A 131.2(4) 5 4_645 ?
K3A K3A K5A 73.9(4) 6 4_645 ?
O16 K3A K5A 32.6(4) 7_564 4_645 ?
O2 K3A K5A 81.4(3) . 4_645 ?
C9 K3A K5A 101.7(3) 7_564 4_645 ?
O6 K3A K5A 45.3(4) 7_564 7_564 ?
O11 K3A K5A 52.3(11) 5 7_564 ?
O19 K3A K5A 62.8(16) 5 7_564 ?
O11 K3A K5A 164.5(10) . 7_564 ?
O19 K3A K5A 104.1(8) . 7_564 ?
K3A K3A K5A 70.7(4) 5 7_564 ?
K3A K3A K5A 128.1(4) 6 7_564 ?
O16 K3A K5A 108.7(5) 7_564 7_564 ?
O2 K3A K5A 107.2(4) . 7_564 ?
C9 K3A K5A 45.4(2) 7_564 7_564 ?
K5A K3A K5A 140.8(3) 4_645 7_564 ?
O5 K4A O10 95.3(7) . 12_466 ?
O5 K4A O25 137.7(14) . . ?
O10 K4A O25 125.4(14) 12_466 . ?
O5 K4A O26 147.5(10) . 12_466 ?
O10 K4A O26 75.4(10) 12_466 12_466 ?
O25 K4A O26 65.0(16) . 12_466 ?
O5 K4A K4A 84.6(5) . 7_564 ?
O10 K4A K4A 127.9(7) 12_466 7_564 ?
O25 K4A K4A 62.5(13) . 7_564 ?
O26 K4A K4A 125.9(9) 12_466 7_564 ?
O5 K4A K4A 110.6(4) . 8_655 ?
O10 K4A K4A 71.8(8) 12_466 8_655 ?
O25 K4A K4A 76.5(10) . 8_655 ?
O26 K4A K4A 96.2(8) 12_466 8_655 ?
K4A K4A K4A 60.000(2) 7_564 8_655 ?
O5 K4A O25 158.2(12) . 8_655 ?
O10 K4A O25 96.0(11) 12_466 8_655 ?
O25 K4A O25 29.9(17) . 8_655 ?
O26 K4A O25 54.0(14) 12_466 8_655 ?
K4A K4A O25 73.7(11) 7_564 8_655 ?
K4A K4A O25 56.1(12) 8_655 8_655 ?
O5 K4A C6 18.2(3) . . ?
O10 K4A C6 90.3(7) 12_466 . ?
O25 K4A C6 144.0(12) . . ?
O26 K4A C6 129.3(10) 12_466 . ?
K4A K4A C6 101.5(5) 7_564 . ?
K4A K4A C6 125.4(3) 8_655 . ?
O25 K4A C6 173.6(11) 8_655 . ?
O5 K4A K1 43.9(3) . . ?
O10 K4A K1 77.3(5) 12_466 . ?
O25 K4A K1 127.6(13) . . ?
O26 K4A K1 151.4(9) 12_466 . ?
K4A K4A K1 67.0(2) 7_564 . ?
K4A K4A K1 67.0(2) 8_655 . ?
O25 K4A K1 121.5(13) 8_655 . ?
C6 K4A K1 58.8(3) . . ?
O5 K4A K5A 72.9(4) . 3_466 ?
O10 K4A K5A 158.0(7) 12_466 3_466 ?
O25 K4A K5A 71.5(11) . 3_466 ?
O26 K4A K5A 104.4(9) 12_466 3_466 ?
K4A K4A K5A 70.6(6) 7_564 3_466 ?
K4A K4A K5A 129.4(6) 8_655 3_466 ?
O25 K4A K5A 101.4(10) 8_655 3_466 ?
C6 K4A K5A 72.7(4) . 3_466 ?
K1 K4A K5A 104.1(4) . 3_466 ?
O5 K4A K5A 124.7(6) . 12_466 ?
O10 K4A K5A 30.2(4) 12_466 12_466 ?
O25 K4A K5A 97.3(13) . 12_466 ?
O26 K4A K5A 47.4(8) 12_466 12_466 ?
K4A K4A K5A 129.3(6) 7_564 12_466 ?
K4A K4A K5A 70.5(6) 8_655 12_466 ?
O25 K4A K5A 70.2(9) 8_655 12_466 ?
C6 K4A K5A 116.2(5) . 12_466 ?
K1 K4A K5A 104.1(4) . 12_466 ?
K5A K4A K5A 150.6(5) 3_466 12_466 ?
O7 K5A O10 103.7(6) . . ?
O7 K5A O9 112.4(6) . 9_566 ?
O10 K5A O9 94.9(7) . 9_566 ?
O7 K5A O16 118.3(6) . 9_566 ?
O10 K5A O16 118.9(8) . 9_566 ?
O9 K5A O16 106.4(6) 9_566 9_566 ?
O7 K5A K4A 70.5(4) . 3_566 ?
O10 K5A K4A 47.0(5) . 3_566 ?
O9 K5A K4A 138.2(6) 9_566 3_566 ?
O16 K5A K4A 107.8(6) 9_566 3_566 ?
O7 K5A K4A 73.4(4) . 11_656 ?
O10 K5A K4A 31.0(4) . 11_656 ?
O9 K5A K4A 100.0(5) 9_566 11_656 ?
O16 K5A K4A 142.5(7) 9_566 11_656 ?
K4A K5A K4A 39.0(4) 3_566 11_656 ?
O7 K5A K3A 93.3(4) . 4_655 ?
O10 K5A K3A 156.5(6) . 4_655 ?
O9 K5A K3A 93.5(5) 9_566 4_655 ?
O16 K5A K3A 37.5(5) 9_566 4_655 ?
K4A K5A K3A 128.4(4) 3_566 4_655 ?
K4A K5A K3A 163.9(4) 11_656 4_655 ?
O7 K5A K3A 58.4(4) . 8_655 ?
O10 K5A K3A 159.8(6) . 8_655 ?
O9 K5A K3A 100.6(5) 9_566 8_655 ?
O16 K5A K3A 68.8(5) 9_566 8_655 ?
K4A K5A K3A 113.8(4) 3_566 8_655 ?
K4A K5A K3A 131.8(4) 11_656 8_655 ?
K3A K5A K3A 35.4(3) 4_655 8_655 ?
O13 K6A O15 150.2(9) . . ?
O13 K6A O24 82.4(11) . . ?
O15 K6A O24 126.2(14) . . ?
O13 K6A O17 79.0(7) . 7_564 ?
O15 K6A O17 107.8(8) . 7_564 ?
O24 K6A O17 87.2(13) . 7_564 ?
O13 K6A C1 83.0(5) . 6 ?
O15 K6A C1 69.2(7) . 6 ?
O24 K6A C1 164.3(13) . 6 ?
O17 K6A C1 84.5(6) 7_564 6 ?
O13 K6A S1 59.8(4) . 6 ?
O15 K6A S1 90.4(7) . 6 ?
O24 K6A S1 140.1(12) . 6 ?
O17 K6A S1 96.7(7) 7_564 6 ?
C1 K6A S1 29.16(16) 6 6 ?
O13 K6A K2 58.3(4) . . ?
O15 K6A K2 140.7(7) . . ?
O24 K6A K2 34.3(10) . . ?
O17 K6A K2 104.5(5) 7_564 . ?
C1 K6A K2 136.6(5) 6 . ?
S1 K6A K2 107.6(4) 6 . ?
K5A O10 K4A 118.7(8) . 11_656 ?
K3A O11 K3A 69.4(12) 6 . ?
K5A O16 K3A 109.9(9) 10_664 8_655 ?
K3A O19 K3A 66.2(10) 6 . ?
C3 O21 O3 56.6(10) 8_655 8_655 ?
K6A O24 K2 113.6(17) . . ?
O25 O25 O25 60.001(7) 7_564 8_655 ?
O25 O25 K4A 108.2(14) 7_564 . ?
O25 O25 K4A 82(3) 8_655 . ?
O25 O25 K4A 68(2) 7_564 7_564 ?
O25 O25 K4A 100(2) 8_655 7_564 ?
K4A O25 K4A 61.4(12) . 7_564 ?

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
Zn1 S1 C1 C2 155.7(3) . . . . ?
Rh1 S1 C1 C2 39.6(3) . . . . ?
K6A S1 C1 C2 -89.8(4) 5 . . . ?
Zn1 S1 C1 K6A -114.5(3) . . . 5 ?
Rh1 S1 C1 K6A 129.4(3) . . . 5 ?
Rh1 N1 C2 C1 49.3(5) . . . . ?
Rh1 N1 C2 C3 175.0(5) . . . . ?
S1 C1 C2 N1 -59.6(5) . . . . ?
K6A C1 C2 N1 -142.8(4) 5 . . . ?
S1 C1 C2 C3 176.6(4) . . . . ?
K6A C1 C2 C3 93.5(6) 5 . . . ?
K3A O2 C3 O21 -147.6(12) . . . 7_564 ?
K3A O2 C3 O3 -78.8(12) . . . . ?
K3A O2 C3 C2 47.0(12) . . . . ?
O21 O3 C3 O2 -118.0(14) 7_564 . . . ?
O21 O3 C3 C2 112.5(13) 7_564 . . . ?
N1 C2 C3 O2 27.1(13) . . . . ?
C1 C2 C3 O2 150.2(11) . . . . ?
N1 C2 C3 O21 -138.4(13) . . . 7_564 ?
C1 C2 C3 O21 -15.3(15) . . . 7_564 ?
N1 C2 C3 O3 145.1(14) . . . . ?
C1 C2 C3 O3 -91.8(15) . . . . ?
Rh2 S2 C4 C5 36.4(4) . . . . ?
Zn1 S2 C4 C5 152.2(3) . . . . ?
Rh2 N2 C5 C6 172.3(5) . . . . ?
Rh2 N2 C5 C4 48.6(5) . . . . ?
S2 C4 C5 N2 -56.3(5) . . . . ?
S2 C4 C5 C6 -179.9(5) . . . . ?
K4A O5 C6 O4 -5.3(19) . . . . ?
K1 O5 C6 O4 118.8(15) . . . . ?
K4A O5 C6 C5 177.4(6) . . . . ?
K1 O5 C6 C5 -58.5(10) . . . . ?
K1 O5 C6 K4A 124.1(9) . . . . ?
N2 C5 C6 O5 177.8(7) . . . . ?
C4 C5 C6 O5 -60.2(10) . . . . ?
N2 C5 C6 O4 0.3(15) . . . . ?
C4 C5 C6 O4 122.2(13) . . . . ?
N2 C5 C6 K4A -177.1(16) . . . . ?
C4 C5 C6 K4A -55(2) . . . . ?
Rh2 S3 C7 C8 37.7(5) . . . . ?
Zn2 S3 C7 C8 153.5(4) . . . . ?
Rh2 N3 C8 C7 49.2(6) . . . . ?
Rh2 N3 C8 C9 172.5(5) . . . . ?
S3 C7 C8 N3 -58.0(6) . . . . ?
S3 C7 C8 C9 178.3(6) . . . . ?
K3A O6 C9 O7 -113(3) 8_655 . . . ?
K3A O6 C9 C8 58(3) 8_655 . . . ?
K5A O7 C9 O6 31(2) . . . . ?
K5A O7 C9 C8 -140.8(8) . . . . ?
K5A O7 C9 K3A 15.2(17) . . . 8_655 ?
N3 C8 C9 O6 7.5(16) . . . . ?
C7 C8 C9 O6 129.7(14) . . . . ?
N3 C8 C9 O7 179.7(9) . . . . ?
C7 C8 C9 O7 -58.1(12) . . . . ?
N3 C8 C9 K3A 18.8(7) . . . 8_655 ?
C7 C8 C9 K3A 141.0(6) . . . 8_655 ?
Rh2 S4 C10 C11 38.3(5) . . . . ?
Zn1 S4 C10 C11 153.3(4) 6 . . . ?
Rh2 N4 C11 C10 51.7(7) . . . . ?
Rh2 N4 C11 C12 173.3(7) . . . . ?
S4 C10 C11 N4 -60.5(7) . . . . ?
S4 C10 C11 C12 176.2(8) . . . . ?
K2 O8 C12 O9 104(2) . . . . ?
K2 O8 C12 C11 -96.1(16) . . . . ?
K5A O9 C12 O8 145.2(15) 10_664 . . . ?
K5A O9 C12 C11 -14.9(18) 10_664 . . . ?
N4 C11 C12 O8 8.8(16) . . . . ?
C10 C11 C12 O8 129.3(12) . . . . ?
N4 C11 C12 O9 171.1(12) . . . . ?
C10 C11 C12 O9 -68.4(16) . . . . ?

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
N1 H1 O13 0.91 2.15 3.030(11) 162.9 .
N1 H2 O11 0.91 2.49 3.18(4) 133.1 .
N2 H3 O20 0.91 2.57 3.42(5) 156.2 .
N2 H4 O3 0.91 1.99 2.877(15) 164.0 8_655
N2 H4 O21 0.91 1.96 2.805(10) 153.7 .
N3 H5 O16 0.91 2.28 3.157(15) 161.3 .
N3 H6 O2 0.91 2.01 2.892(11) 162.3 8_655
N3 H6 O3 0.91 2.36 3.12(2) 140.1 8_655
N4 H7 O14 0.91 2.19 3.08(2) 168.2 .
N4 H8 O2 0.91 2.22 2.998(11) 143.0 8_655
N4 H8 O21 0.91 2.60 3.42(2) 149.9 .
C1 H10 S2 0.99 2.82 3.567(5) 132.5 .
C7 H15 O25 0.99 2.52 3.39(6) 146.5 3_566
N1 H1 O13 0.91 2.15 3.030(11) 162.9 .
N1 H2 O11 0.91 2.49 3.18(4) 133.1 .

_refine_diff_density_max         1.493
_refine_diff_density_min         -2.527
_refine_diff_density_rms         0.217

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Na6-1
_database_code_depnum_ccdc_archive 'CCDC 1536858'
_audit_update_record             
;
2017-10-10 deposited with the CCDC.
2018-10-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C36 H60 N12 Na O31 Rh4 S12 Zn4, 48(O)'
_chemical_formula_sum            'C36 H60 N12 Na O79 Rh4 S12 Zn4'
_chemical_formula_weight         3005.79

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0030 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'
O O 0.0105 0.0059 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0059 0.0032 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1344 0.9003 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2986 1.4035 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1221 0.1211 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0361 0.0244 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      cubic
_space_group_IT_number           198
_space_group_name_H-M_alt        'P 21 3'
_space_group_name_Hall           'P 2ac 2ab 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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'z, x, y'
'y, z, x'
'-z+1/2, -x, y+1/2'
'-y, z+1/2, -x+1/2'
'z+1/2, -x+1/2, -y'
'-y+1/2, -z, x+1/2'
'-z, x+1/2, -y+1/2'
'y+1/2, -z+1/2, -x'

_cell_length_a                   23.574(7)
_cell_length_b                   23.574(7)
_cell_length_c                   23.574(7)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     13102(11)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    33353
_cell_measurement_theta_min      0.85
_cell_measurement_theta_max      27.01

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.524
_exptl_crystal_F_000             5980
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    1.434
_shelx_estimated_absorpt_T_min   0.870
_shelx_estimated_absorpt_T_max   0.870
_exptl_absorpt_correction_type   multi-scans
_exptl_absorpt_correction_T_min  0.1407
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_absorpt_special_details   ?

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.7009
_diffrn_radiation_type           synchrotron
_diffrn_radiation_source         'SPring-8 BL02B1 bending magnet'
_diffrn_radiation_monochromator  Si(311)
_diffrn_measurement_device_type  'Rigaku Mercury2CCD detector'
_diffrn_measurement_method       /w
_diffrn_detector_area_resol_mean 14.69
_diffrn_reflns_number            42555
_diffrn_reflns_av_unetI/netI     0.1167
_diffrn_reflns_av_R_equivalents  0.2080
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         1.475
_diffrn_reflns_theta_max         27.021
_diffrn_reflns_theta_full        24.869
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             10000
_reflns_number_gt                8103
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.865
_reflns_Friedel_fraction_max     0.998
_reflns_Friedel_fraction_full    1.000

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'RAPID-AUTO (Rigaku Corporation)'
_computing_cell_refinement       'RAPID-AUTO (Rigaku Corporation)'
_computing_data_reduction        'RAPID-AUTO (Rigaku Corporation)'
_computing_structure_solution    'SHELXS-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Yadokari-XG 2009 (Wakita Nemoto et al., 2009)'
_computing_publication_material  
;Yadokari-XG 2009 (Wakita, Nemoto et al., 2009)
;
_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1512P)²+74.9188P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 2927 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.09(4)
_chemical_absolute_configuration rm
_refine_ls_number_reflns         10000
_refine_ls_number_parameters     366
_refine_ls_number_restraints     90
_refine_ls_R_factor_all          0.1254
_refine_ls_R_factor_gt           0.1054
_refine_ls_wR_factor_ref         0.2820
_refine_ls_wR_factor_gt          0.2571
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_restrained_S_all      1.064
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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 0.39739(5) 0.60261(5) 0.10261(5) 0.0339(4) Uani 1 3 d S T P . .
Rh2 Rh 0.38607(5) 0.84396(5) 0.25124(6) 0.0405(3) Uani 1 1 d . . . . .
Zn1 Zn 0.36383(7) 0.67985(7) 0.24580(7) 0.0306(4) Uani 1 1 d . . . . .
Zn2 Zn 0.24850(7) 0.75150(7) 0.25150(7) 0.0339(6) Uani 1 3 d S T P . .
S1 S 0.43350(16) 0.64952(17) 0.18193(17) 0.0367(8) Uani 1 1 d . . . . .
S2 S 0.3961(2) 0.75779(18) 0.29838(18) 0.0454(10) Uani 1 1 d . . . . .
S3 S 0.28692(18) 0.84318(17) 0.2523(2) 0.0432(9) Uani 1 1 d . . . . .
S4 S 0.39510(17) 0.80578(17) 0.16054(19) 0.0404(8) Uani 1 1 d . . . . .
O1 O 0.2969(5) 0.7031(5) 0.2031(5) 0.030(4) Uani 1 3 d S T P . .
O2 O 0.5155(13) 0.4527(9) 0.1723(15) 0.169(16) Uani 1 1 d D U . . .
O3 O 0.548(2) 0.5027(15) 0.2440(17) 0.26(2) Uani 1 1 d D U . . .
O4 O 0.5891(13) 0.8360(17) 0.264(2) 0.20(2) Uani 1 1 d D U . . .
O5 O 0.5870(16) 0.7775(17) 0.337(3) 0.26(3) Uani 1 1 d D U . . .
O6 O 0.3569(14) 0.9312(17) 0.4326(13) 0.174(16) Uani 1 1 d D U . . .
O7 O 0.2672(12) 0.9578(13) 0.4100(15) 0.151(13) Uani 1 1 d D U . . .
O8 O 0.350(2) 1.0076(14) 0.1441(16) 0.200(19) Uani 1 1 d D U . . .
O9 O 0.4065(13) 0.9847(10) 0.0715(10) 0.128(10) Uani 1 1 d D U . . .
N1 N 0.4446(7) 0.5330(7) 0.1322(8) 0.055(4) Uani 1 1 d . . . . .
H1A H 0.4205 0.5075 0.1483 0.066 Uiso 1 1 calc R U . . .
H1B H 0.4617 0.5158 0.1022 0.066 Uiso 1 1 calc R U . . .
N2 N 0.4747(7) 0.8488(6) 0.2564(9) 0.056(4) Uani 1 1 d . . . . .
H2A H 0.4897 0.8394 0.2220 0.067 Uiso 1 1 calc R U . . .
H2B H 0.4848 0.8852 0.2640 0.067 Uiso 1 1 calc R U . . .
N3 N 0.3779(8) 0.8841(7) 0.3304(7) 0.055(4) Uani 1 1 d . . . . .
H3A H 0.3842 0.8581 0.3583 0.066 Uiso 1 1 calc R U . . .
H3B H 0.4050 0.9114 0.3334 0.066 Uiso 1 1 calc R U . . .
N4 N 0.3832(7) 0.9221(6) 0.2104(7) 0.050(4) Uani 1 1 d . . . . .
H4A H 0.3468 0.9351 0.2109 0.060 Uiso 1 1 calc R U . . .
H4B H 0.4049 0.9473 0.2301 0.060 Uiso 1 1 calc R U . . .
C1 C 0.4632(9) 0.5872(8) 0.2173(8) 0.051(4) Uani 1 1 d . . . . .
H1 H 0.4928 0.5990 0.2446 0.061 Uiso 1 1 calc R U . . .
H2 H 0.4331 0.5670 0.2384 0.061 Uiso 1 1 calc R U . . .
C2 C 0.4881(10) 0.5492(9) 0.1741(10) 0.060(5) Uani 1 1 d . U . . .
H3 H 0.5174 0.5717 0.1533 0.072 Uiso 1 1 calc R U . . .
C3 C 0.5180(10) 0.4985(10) 0.1990(11) 0.086(8) Uani 1 1 d D U . . .
C4 C 0.4737(8) 0.7523(9) 0.2924(11) 0.062(6) Uani 1 1 d . . . . .
H4 H 0.4883 0.7259 0.3216 0.074 Uiso 1 1 calc R U . . .
H5 H 0.4840 0.7373 0.2546 0.074 Uiso 1 1 calc R U . . .
C5 C 0.4999(13) 0.8109(11) 0.3007(16) 0.104(12) Uani 1 1 d . U . . .
H6 H 0.4876 0.8254 0.3387 0.125 Uiso 1 1 calc R U . . .
C6 C 0.5614(13) 0.8071(11) 0.3008(16) 0.142(15) Uani 1 1 d D U . . .
C7 C 0.2769(10) 0.8681(10) 0.3255(10) 0.065(6) Uani 1 1 d . . . . .
H7 H 0.2391 0.8859 0.3294 0.078 Uiso 1 1 calc R U . . .
H8 H 0.2790 0.8356 0.3520 0.078 Uiso 1 1 calc R U . . .
C8 C 0.3220(11) 0.9102(9) 0.3396(11) 0.068(6) Uani 1 1 d . U . . .
H9 H 0.3183 0.9423 0.3121 0.082 Uiso 1 1 calc R U . . .
C9 C 0.3150(12) 0.9342(10) 0.3974(13) 0.113(11) Uani 1 1 d D U . . .
C10 C 0.3781(9) 0.8700(8) 0.1215(9) 0.054(5) Uani 1 1 d . . . . .
H10 H 0.3933 0.8673 0.0825 0.065 Uiso 1 1 calc R U . . .
H11 H 0.3364 0.8744 0.1191 0.065 Uiso 1 1 calc R U . . .
C11 C 0.4033(10) 0.9207(8) 0.1508(10) 0.061(5) Uani 1 1 d . U . . .
H12 H 0.4456 0.9175 0.1503 0.073 Uiso 1 1 calc R U . . .
C12 C 0.3857(13) 0.9751(11) 0.1207(11) 0.098(9) Uani 1 1 d D U . . .
Na1 Na 0.465(2) 0.944(2) -0.007(2) 0.117(14) Uiso 0.3333 1 d . . P . .
O10 O 0.4983(19) 0.847(2) 0.0347(19) 0.184(15) Uiso 1 1 d . . . . .
O11 O 0.415(3) 0.978(3) -0.104(3) 0.26(3) Uiso 1 1 d . . . . .
O12 O 0.384(2) 0.454(2) 0.212(2) 0.212(19) Uiso 1 1 d . . . . .
O13 O 0.673(4) 0.615(4) 0.381(3) 0.34(4) Uiso 1 1 d D . . . .
O14 O 0.636(3) 0.572(2) 0.149(3) 0.24(2) Uiso 1 1 d . . . . .
O15 O 0.268(3) 0.407(3) 0.175(3) 0.26(3) Uiso 1 1 d . . . . .
O16 O 0.682(4) 0.538(4) 0.241(4) 0.34(4) Uiso 1 1 d . . . . .
O17 O 0.126(3) 0.874(3) 0.374(3) 0.29(6) Uiso 1 3 d S . P . .
O18 O 0.529(4) 0.931(4) 0.443(4) 0.34(4) Uiso 1 1 d . . . . .
O19 O 0.428(2) 0.811(2) 0.442(3) 0.24(2) Uiso 1 1 d D . . . .
O20 O 0.845(5) 0.655(5) 0.345(5) 0.41(9) Uiso 1 3 d S . P . .
O21 O 0.752(10) 0.642(8) 0.251(9) 0.73(15) Uiso 1 1 d . . . . .
O22 O 0.676(4) 0.738(3) 0.202(5) 0.40(5) Uiso 1 1 d D . . . .
O23 O 0.866(4) 0.563(4) 0.4595(14) 0.34(4) Uiso 1 1 d . . . . .
O24 O 0.765(4) 0.573(6) 0.422(6) 0.54(9) Uiso 1 1 d D . . . .
O25 O 0.261(6) 0.965(6) 0.187(6) 0.53(8) Uiso 1 1 d . . . . .
O26 O 0.201(7) 0.992(8) 0.290(7) 0.62(11) Uiso 1 1 d . . . . .
O27A O 0.541(3) 0.831(3) 0.143(4) 0.17(3) Uiso 0.5 1 d . . P A 1
O28A O 0.526(4) 0.647(4) 0.428(4) 0.19(3) Uiso 0.5 1 d . . P B 1
O27B O 0.649(4) 0.851(4) 0.149(4) 0.35(7) Uiso 1 3 d S . P C 2
O28B O 0.574(5) 0.622(5) 0.328(5) 0.25(5) Uiso 0.5 1 d . . P D 2
O29B O 0.521(2) 0.755(3) 0.444(3) 0.134(19) Uiso 0.5 1 d D . P E 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 N1 2.101(15) 7_564 ?
Rh1 N1 2.101(15) 8_655 ?
Rh1 N1 2.101(15) . ?
Rh1 S1 2.333(4) 7_564 ?
Rh1 S1 2.333(4) 8_655 ?
Rh1 S1 2.333(4) . ?
Rh2 N4 2.081(16) . ?
Rh2 N2 2.097(15) . ?
Rh2 N3 2.102(17) . ?
Rh2 S2 2.327(4) . ?
Rh2 S4 2.330(5) . ?
Rh2 S3 2.338(4) . ?
Zn1 O1 1.950(7) . ?
Zn1 S4 2.335(4) 7_564 ?
Zn1 S1 2.340(4) . ?
Zn1 S2 2.344(4) . ?
Zn2 O1 1.98(2) . ?
Zn2 S3 2.343(4) 8_655 ?
Zn2 S3 2.343(4) . ?
Zn2 S3 2.343(4) 7_564 ?
S1 C1 1.829(18) . ?
S2 C4 1.84(2) . ?
S3 C7 1.84(2) . ?
S4 C10 1.82(2) . ?
S4 Zn1 2.335(4) 8_655 ?
O1 Zn1 1.950(7) 7_564 ?
O1 Zn1 1.950(7) 8_655 ?
O2 C3 1.25(2) . ?
O3 C3 1.28(2) . ?
O4 C6 1.29(2) . ?
O5 C6 1.26(2) . ?
O6 C9 1.29(2) . ?
O7 C9 1.29(2) . ?
O8 C12 1.27(2) . ?
O9 C12 1.28(2) . ?
O9 Na1 2.39(6) 9_566 ?
O9 Na1 2.50(6) . ?
N1 C2 1.47(3) . ?
N2 C5 1.50(3) . ?
N3 C8 1.47(3) . ?
N4 C11 1.48(3) . ?
C1 C2 1.48(3) . ?
C2 C3 1.51(3) . ?
C4 C5 1.53(3) . ?
C5 C6 1.45(4) . ?
C7 C8 1.49(3) . ?
C8 C9 1.48(4) . ?
C10 C11 1.50(3) . ?
C11 C12 1.52(3) . ?
Na1 O9 2.39(6) 10_664 ?
Na1 O10 2.61(7) . ?
Na1 O11 2.70(8) . ?
Na1 Na1 2.70(9) 9_566 ?
Na1 Na1 2.70(9) 10_664 ?
Na1 O28A 2.71(11) 8_655 ?
O28A Na1 2.71(11) 7_564 ?

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
N1 Rh1 N1 91.2(7) 7_564 8_655 ?
N1 Rh1 N1 91.2(7) 7_564 . ?
N1 Rh1 N1 91.2(7) 8_655 . ?
N1 Rh1 S1 84.9(5) 7_564 7_564 ?
N1 Rh1 S1 176.1(5) 8_655 7_564 ?
N1 Rh1 S1 89.0(5) . 7_564 ?
N1 Rh1 S1 89.0(5) 7_564 8_655 ?
N1 Rh1 S1 84.9(5) 8_655 8_655 ?
N1 Rh1 S1 176.1(5) . 8_655 ?
S1 Rh1 S1 94.90(14) 7_564 8_655 ?
N1 Rh1 S1 176.1(5) 7_564 . ?
N1 Rh1 S1 89.0(5) 8_655 . ?
N1 Rh1 S1 84.9(5) . . ?
S1 Rh1 S1 94.90(14) 7_564 . ?
S1 Rh1 S1 94.90(14) 8_655 . ?
N4 Rh2 N2 90.6(6) . . ?
N4 Rh2 N3 90.6(7) . . ?
N2 Rh2 N3 90.9(7) . . ?
N4 Rh2 S2 175.9(5) . . ?
N2 Rh2 S2 85.3(5) . . ?
N3 Rh2 S2 88.8(5) . . ?
N4 Rh2 S4 85.4(5) . . ?
N2 Rh2 S4 89.0(6) . . ?
N3 Rh2 S4 176.0(5) . . ?
S2 Rh2 S4 95.27(15) . . ?
N4 Rh2 S3 88.8(5) . . ?
N2 Rh2 S3 175.3(5) . . ?
N3 Rh2 S3 84.4(5) . . ?
S2 Rh2 S3 95.15(17) . . ?
S4 Rh2 S3 95.61(16) . . ?
O1 Zn1 S4 109.04(17) . 7_564 ?
O1 Zn1 S1 108.8(5) . . ?
S4 Zn1 S1 109.34(16) 7_564 . ?
O1 Zn1 S2 108.4(4) . . ?
S4 Zn1 S2 110.66(16) 7_564 . ?
S1 Zn1 S2 110.61(17) . . ?
O1 Zn2 S3 108.28(13) . 8_655 ?
O1 Zn2 S3 108.28(13) . . ?
S3 Zn2 S3 110.63(12) 8_655 . ?
O1 Zn2 S3 108.28(13) . 7_564 ?
S3 Zn2 S3 110.64(12) 8_655 7_564 ?
S3 Zn2 S3 110.63(12) . 7_564 ?
C1 S1 Rh1 97.1(7) . . ?
C1 S1 Zn1 102.8(7) . . ?
Rh1 S1 Zn1 113.85(16) . . ?
C4 S2 Rh2 97.2(7) . . ?
C4 S2 Zn1 103.1(8) . . ?
Rh2 S2 Zn1 113.50(17) . . ?
C7 S3 Rh2 97.8(7) . . ?
C7 S3 Zn2 104.6(8) . . ?
Rh2 S3 Zn2 113.19(18) . . ?
C10 S4 Rh2 97.0(7) . . ?
C10 S4 Zn1 102.3(7) . 8_655 ?
Rh2 S4 Zn1 112.99(18) . 8_655 ?
Zn1 O1 Zn1 109.6(6) 7_564 8_655 ?
Zn1 O1 Zn1 109.6(6) 7_564 . ?
Zn1 O1 Zn1 109.6(6) 8_655 . ?
Zn1 O1 Zn2 109.4(6) 7_564 . ?
Zn1 O1 Zn2 109.4(6) 8_655 . ?
Zn1 O1 Zn2 109.4(6) . . ?
C12 O9 Na1 123(2) . 9_566 ?
C12 O9 Na1 144(2) . . ?
Na1 O9 Na1 67(3) 9_566 . ?
C2 N1 Rh1 112.9(12) . . ?
C5 N2 Rh2 113.7(16) . . ?
C8 N3 Rh2 113.6(13) . . ?
C11 N4 Rh2 114.1(12) . . ?
C2 C1 S1 109.0(13) . . ?
N1 C2 C1 110.0(17) . . ?
N1 C2 C3 112.5(18) . . ?
C1 C2 C3 113.4(18) . . ?
O2 C3 O3 121(2) . . ?
O2 C3 C2 118(2) . . ?
O3 C3 C2 121(2) . . ?
C5 C4 S2 109.2(19) . . ?
C6 C5 N2 116(3) . . ?
C6 C5 C4 110(2) . . ?
N2 C5 C4 106.9(16) . . ?
O5 C6 O4 121(4) . . ?
O5 C6 C5 121(3) . . ?
O4 C6 C5 118(3) . . ?
C8 C7 S3 109.3(17) . . ?
N3 C8 C9 113(2) . . ?
N3 C8 C7 109.1(18) . . ?
C9 C8 C7 112(2) . . ?
O6 C9 O7 123(3) . . ?
O6 C9 C8 119(3) . . ?
O7 C9 C8 118(3) . . ?
C11 C10 S4 110.1(15) . . ?
N4 C11 C10 109.1(15) . . ?
N4 C11 C12 110(2) . . ?
C10 C11 C12 110.4(18) . . ?
O8 C12 O9 123(3) . . ?
O8 C12 C11 119(2) . . ?
O9 C12 C11 118(3) . . ?
O9 Na1 O9 164(3) 10_664 . ?
O9 Na1 O10 92(2) 10_664 . ?
O9 Na1 O10 103(2) . . ?
O9 Na1 O11 62.2(19) 10_664 . ?
O9 Na1 O11 106(2) . . ?
O10 Na1 O11 136(3) . . ?
O9 Na1 Na1 118(2) 10_664 9_566 ?
O9 Na1 Na1 54(2) . 9_566 ?
O10 Na1 Na1 114.7(16) . 9_566 ?
O11 Na1 Na1 109.6(17) . 9_566 ?
O9 Na1 Na1 59(2) 10_664 10_664 ?
O9 Na1 Na1 114(2) . 10_664 ?
O10 Na1 Na1 109.7(18) . 10_664 ?
O11 Na1 Na1 88(2) . 10_664 ?
Na1 Na1 Na1 60.000(4) 9_566 10_664 ?
O9 Na1 O28A 108(3) 10_664 8_655 ?
O9 Na1 O28A 69(2) . 8_655 ?
O10 Na1 O28A 104(3) . 8_655 ?
O11 Na1 O28A 58(3) . 8_655 ?
Na1 Na1 O28A 116(3) 9_566 8_655 ?
Na1 Na1 O28A 144(2) 10_664 8_655 ?

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
Rh1 S1 C1 C2 38.4(16) . . . . ?
Zn1 S1 C1 C2 154.9(14) . . . . ?
Rh1 N1 C2 C1 47(2) . . . . ?
Rh1 N1 C2 C3 174.7(16) . . . . ?
S1 C1 C2 N1 -58(2) . . . . ?
S1 C1 C2 C3 175.4(16) . . . . ?
N1 C2 C3 O2 20(3) . . . . ?
C1 C2 C3 O2 145(3) . . . . ?
N1 C2 C3 O3 -165(3) . . . . ?
C1 C2 C3 O3 -39(3) . . . . ?
Rh2 S2 C4 C5 39(2) . . . . ?
Zn1 S2 C4 C5 155.1(18) . . . . ?
Rh2 N2 C5 C6 172.2(19) . . . . ?
Rh2 N2 C5 C4 49(3) . . . . ?
S2 C4 C5 C6 175(2) . . . . ?
S2 C4 C5 N2 -58(3) . . . . ?
N2 C5 C6 O5 178(3) . . . . ?
C4 C5 C6 O5 -60(4) . . . . ?
N2 C5 C6 O4 0(4) . . . . ?
C4 C5 C6 O4 122(3) . . . . ?
Rh2 S3 C7 C8 35.6(19) . . . . ?
Zn2 S3 C7 C8 152.2(16) . . . . ?
Rh2 N3 C8 C9 175.2(15) . . . . ?
Rh2 N3 C8 C7 49(2) . . . . ?
S3 C7 C8 N3 -56(2) . . . . ?
S3 C7 C8 C9 177.5(18) . . . . ?
N3 C8 C9 O6 1(3) . . . . ?
C7 C8 C9 O6 125(3) . . . . ?
N3 C8 C9 O7 -179(2) . . . . ?
C7 C8 C9 O7 -55(3) . . . . ?
Rh2 S4 C10 C11 38.0(16) . . . . ?
Zn1 S4 C10 C11 153.4(15) 8_655 . . . ?
Rh2 N4 C11 C10 45(2) . . . . ?
Rh2 N4 C11 C12 165.7(13) . . . . ?
S4 C10 C11 N4 -55(2) . . . . ?
S4 C10 C11 C12 -176.0(18) . . . . ?
Na1 O9 C12 O8 93(4) 9_566 . . . ?
Na1 O9 C12 O8 -170(4) . . . . ?
Na1 O9 C12 C11 -90(3) 9_566 . . . ?
Na1 O9 C12 C11 7(5) . . . . ?
N4 C11 C12 O8 -13(3) . . . . ?
C10 C11 C12 O8 108(3) . . . . ?
N4 C11 C12 O9 170(2) . . . . ?
C10 C11 C12 O9 -70(3) . . . . ?

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
N1 H1A O12 0.91 2.14 3.00(5) 158.6 .
N1 H1B O18 0.91 2.28 3.05(9) 142.9 4_645
N2 H2A O27A 0.91 2.23 3.12(9) 167.1 .
N2 H2B O2 0.91 2.19 2.98(3) 145.3 4_655
N3 H3A O19 0.91 2.48 3.35(6) 160.1 .
N3 H3B O2 0.91 2.12 2.99(3) 160.6 4_655
N4 H4A O25 0.91 2.22 3.10(14) 164.3 .
N4 H4B O3 0.91 1.82 2.72(3) 168.7 4_655
C1 H2 S4 0.99 2.86 3.61(2) 133.1 7_564
C4 H5 S1 0.99 2.94 3.68(2) 132.6 .
C7 H8 S3 0.99 2.99 3.74(2) 133.8 7_564
C8 H9 O16 1.00 2.59 3.57(9) 167.3 4_655
C10 H11 S2 0.99 2.88 3.65(2) 135.1 8_655
N1 H1A O12 0.91 2.14 3.00(5) 158.6 .
N1 H1B O18 0.91 2.28 3.05(9) 142.9 4_645
N2 H2A O27A 0.91 2.23 3.12(9) 167.1 .
N2 H2B O2 0.91 2.19 2.98(3) 145.3 4_655
N3 H3A O19 0.91 2.48 3.35(6) 160.1 .
N3 H3B O2 0.91 2.12 2.99(3) 160.6 4_655
N4 H4A O25 0.91 2.22 3.10(14) 164.3 .
N4 H4B O3 0.91 1.82 2.72(3) 168.7 4_655
C1 H2 S4 0.99 2.86 3.61(2) 133.1 7_564
C4 H5 S1 0.99 2.94 3.68(2) 132.6 .
C7 H8 S3 0.99 2.99 3.74(2) 133.8 7_564
C8 H9 O16 1.00 2.59 3.57(9) 167.3 4_655
C10 H11 S2 0.99 2.88 3.65(2) 135.1 8_655
N1 H1A O12 0.91 2.14 3.00(5) 158.6 .
N1 H1B O18 0.91 2.28 3.05(9) 142.9 4_645
N2 H2A O27A 0.91 2.23 3.12(9) 167.1 .
N2 H2B O2 0.91 2.19 2.98(3) 145.3 4_655
N3 H3A O19 0.91 2.48 3.35(6) 160.1 .
N3 H3B O2 0.91 2.12 2.99(3) 160.6 4_655
N4 H4A O25 0.91 2.22 3.10(14) 164.3 .
N4 H4B O3 0.91 1.82 2.72(3) 168.7 4_655
C1 H2 S4 0.99 2.86 3.61(2) 133.1 7_564
C4 H5 S1 0.99 2.94 3.68(2) 132.6 .
C7 H8 S3 0.99 2.99 3.74(2) 133.8 7_564
C8 H9 O16 1.00 2.59 3.57(9) 167.3 4_655
C10 H11 S2 0.99 2.88 3.65(2) 135.1 8_655
N1 H1A O12 0.91 2.14 3.00(5) 158.6 .
N1 H1B O18 0.91 2.28 3.05(9) 142.9 4_645
N2 H2A O27A 0.91 2.23 3.12(9) 167.1 .
N2 H2B O2 0.91 2.19 2.98(3) 145.3 4_655
N3 H3A O19 0.91 2.48 3.35(6) 160.1 .
N3 H3B O2 0.91 2.12 2.99(3) 160.6 4_655
N4 H4A O25 0.91 2.22 3.10(14) 164.3 .
N4 H4B O3 0.91 1.82 2.72(3) 168.7 4_655
C1 H2 S4 0.99 2.86 3.61(2) 133.1 7_564
C4 H5 S1 0.99 2.94 3.68(2) 132.6 .
C7 H8 S3 0.99 2.99 3.74(2) 133.8 7_564
C8 H9 O16 1.00 2.59 3.57(9) 167.3 4_655
C10 H11 S2 0.99 2.88 3.65(2) 135.1 8_655
N1 H1A O12 0.91 2.14 3.00(5) 158.6 .
N1 H1B O18 0.91 2.28 3.05(9) 142.9 4_645
N2 H2A O27A 0.91 2.23 3.12(9) 167.1 .
N2 H2B O2 0.91 2.19 2.98(3) 145.3 4_655
N3 H3A O19 0.91 2.48 3.35(6) 160.1 .
N3 H3B O2 0.91 2.12 2.99(3) 160.6 4_655
N4 H4A O25 0.91 2.22 3.10(14) 164.3 .
N4 H4B O3 0.91 1.82 2.72(3) 168.7 4_655
C1 H2 S4 0.99 2.86 3.61(2) 133.1 7_564
C4 H5 S1 0.99 2.94 3.68(2) 132.6 .
C7 H8 S3 0.99 2.99 3.74(2) 133.8 7_564
C8 H9 O16 1.00 2.59 3.57(9) 167.3 4_655
C10 H11 S2 0.99 2.88 3.65(2) 135.1 8_655

_refine_diff_density_max         1.896
_refine_diff_density_min         -1.058
_refine_diff_density_rms         0.190

_shelxl_version_number           2014-3

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Li6-1
_database_code_depnum_ccdc_archive 'CCDC 1536859'
_audit_update_record             
;
2017-10-10 deposited with the CCDC.
2018-10-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         '(C36 H60 N12 O25 Rh4 S12 Zn4), 52.5(O)'
_chemical_formula_sum            'C36 H60 N12 O77.50 Rh4 S12 Zn4'
_chemical_formula_weight         2958.80

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0030 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'
O O 0.0105 0.0059 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0059 0.0032 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Li Li 0.0003 0.0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2985 1.4039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1340 0.9005 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1221 0.1211 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      cubic
_space_group_IT_number           198
_space_group_name_H-M_alt        'P 21 3'
_space_group_name_Hall           'P 2ac 2ab 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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'z, x, y'
'y, z, x'
'-z+1/2, -x, y+1/2'
'-y, z+1/2, -x+1/2'
'z+1/2, -x+1/2, -y'
'-y+1/2, -z, x+1/2'
'-z, x+1/2, -y+1/2'
'y+1/2, -z+1/2, -x'

_cell_length_a                   23.550(3)
_cell_length_b                   23.550(3)
_cell_length_c                   23.550(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     13061(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    21463
_cell_measurement_theta_min      1.21
_cell_measurement_theta_max      30.07

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.505
_exptl_crystal_F_000             5888
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    1.434
_shelx_estimated_absorpt_T_min   0.870
_shelx_estimated_absorpt_T_max   0.894
_exptl_absorpt_correction_type   multi-scans
_exptl_absorpt_correction_T_min  0.5369
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_absorpt_special_details   ?

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.701
_diffrn_radiation_type           synchrotron
_diffrn_radiation_source         'SPring-8 BL02B1 bending magnet'
_diffrn_radiation_monochromator  Si(311)
_diffrn_measurement_device_type  'Rigaku Mercury2CCD detector'
_diffrn_measurement_method       /w
_diffrn_detector_area_resol_mean 14.69
_diffrn_reflns_number            44235
_diffrn_reflns_av_unetI/netI     0.0865
_diffrn_reflns_av_R_equivalents  0.1028
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         1.206
_diffrn_reflns_theta_max         27.491
_diffrn_reflns_theta_full        24.872
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             10421
_reflns_number_gt                8522
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.868
_reflns_Friedel_fraction_max     1.000
_reflns_Friedel_fraction_full    1.000

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'RAPID-AUTO (Rigaku Corporation)'
_computing_cell_refinement       'RAPID-AUTO (Rigaku Corporation)'
_computing_data_reduction        'RAPID-AUTO (Rigaku Corporation)'
_computing_structure_solution    'SHELXS-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Yadokari-XG 2009 (Wakita Nemoto et al., 2009)'
_computing_publication_material  
;Yadokari-XG 2009 (Wakita, Nemoto et al., 2009)
;
_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0936P)²+3.4786P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 3373 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.041(12)
_chemical_absolute_configuration rm
_refine_ls_number_reflns         10421
_refine_ls_number_parameters     448
_refine_ls_number_restraints     61
_refine_ls_R_factor_all          0.0773
_refine_ls_R_factor_gt           0.0599
_refine_ls_wR_factor_ref         0.1603
_refine_ls_wR_factor_gt          0.1480
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_restrained_S_all      1.056
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.64729(3) 0.14729(3) 0.35271(3) 0.0255(2) Uani 1 3 d S T P . .
Rh2 Rh 0.40792(3) 0.13712(3) 0.50344(3) 0.0376(2) Uani 1 1 d . . . . .
Zn1 Zn 0.50418(4) 0.07107(4) 0.38657(4) 0.0258(2) Uani 1 1 d . . . . .
Zn2 Zn 0.49860(4) -0.00140(4) 0.50140(4) 0.0303(3) Uani 1 3 d S T P . .
S1 S 0.56721(9) 0.10165(8) 0.31652(8) 0.0267(4) Uani 1 1 d . . . . .
S2 S 0.44636(9) 0.14716(10) 0.41297(10) 0.0368(5) Uani 1 1 d . . . . .
S3 S 0.40752(10) 0.03783(11) 0.50333(12) 0.0427(6) Uani 1 1 d . . . . .
S4 S 0.49465(10) 0.14517(11) 0.55046(10) 0.0392(5) Uani 1 1 d . . . . .
O1 O 0.5470(2) 0.0470(2) 0.4530(2) 0.0225(19) Uani 1 3 d S T P . .
O2 O 0.5581(11) 0.2973(5) 0.2508(10) 0.214(13) Uani 1 1 d . U . . .
O3 O 0.5285(11) 0.2483(7) 0.1884(9) 0.208(12) Uani 1 1 d . . . . .
O4 O 0.2423(10) 0.1174(15) 0.3940(13) 0.257(18) Uani 1 1 d D . . . .
O5 O 0.2692(8) 0.1731(13) 0.3296(11) 0.215(13) Uani 1 1 d . . . . .
O6 O 0.3250(13) 0.1029(11) 0.6850(8) 0.234(16) Uani 1 1 d . . . . .
O7 O 0.2952(8) 0.0207(7) 0.6623(8) 0.150(7) Uani 1 1 d . . . . .
O8 O 0.4165(9) 0.3399(6) 0.5212(13) 0.207(13) Uani 1 1 d . . . . .
O9 O 0.4744(9) 0.3358(8) 0.5907(14) 0.230(15) Uani 1 1 d . . . . .
N1 N 0.6187(4) 0.2184(3) 0.3068(3) 0.0366(17) Uani 1 1 d . . . . .
H1 H 0.6019 0.2433 0.3311 0.044 Uiso 1 1 calc R U . . .
H2 H 0.6489 0.2361 0.2906 0.044 Uiso 1 1 calc R U . . .
N2 N 0.3294(3) 0.1353(4) 0.4615(4) 0.049(2) Uani 1 1 d . . . . .
H3 H 0.3172 0.0987 0.4594 0.059 Uiso 1 1 calc R U . . .
H4 H 0.3036 0.1551 0.4824 0.059 Uiso 1 1 calc R U . . .
N3 N 0.3671(4) 0.1299(5) 0.5818(4) 0.057(3) Uani 1 1 d . . . . .
H5 H 0.3926 0.1371 0.6099 0.068 Uiso 1 1 calc R U . . .
H6 H 0.3393 0.1567 0.5839 0.068 Uiso 1 1 calc R U . . .
N4 N 0.4051(4) 0.2265(4) 0.5101(4) 0.049(2) Uani 1 1 d . . . . .
H7 H 0.4146 0.2419 0.4759 0.058 Uiso 1 1 calc R U . . .
H8 H 0.3688 0.2373 0.5181 0.058 Uiso 1 1 calc R U . . .
C1 C 0.5325(4) 0.1657(4) 0.2872(4) 0.040(2) Uani 1 1 d . . . . .
H9 H 0.5045 0.1548 0.2578 0.048 Uiso 1 1 calc R U . . .
H10 H 0.5124 0.1865 0.3177 0.048 Uiso 1 1 calc R U . . .
C2 C 0.5775(5) 0.2023(4) 0.2619(4) 0.044(2) Uani 1 1 d . . . . .
H11 H 0.5981 0.1798 0.2323 0.053 Uiso 1 1 calc R U . . .
C3 C 0.5514(6) 0.2544(5) 0.2334(5) 0.057(3) Uani 1 1 d . . . . .
C4 C 0.3814(5) 0.1328(5) 0.3721(5) 0.054(3) Uani 1 1 d . . . . .
H12 H 0.3840 0.1502 0.3340 0.065 Uiso 1 1 calc R U . . .
H13 H 0.3760 0.0914 0.3675 0.065 Uiso 1 1 calc R U . . .
C5 C 0.3314(5) 0.1587(6) 0.4055(6) 0.062(3) Uani 1 1 d . . . . .
H14 H 0.3379 0.2005 0.4088 0.075 Uiso 1 1 calc R U . . .
C6 C 0.2759(7) 0.1493(8) 0.3722(10) 0.091(5) Uani 1 1 d . . . . .
C7 C 0.3840(5) 0.0279(6) 0.5761(6) 0.063(3) Uani 1 1 d . . . . .
H15 H 0.3667 -0.0102 0.5803 0.075 Uiso 1 1 calc R U . . .
H16 H 0.4170 0.0302 0.6021 0.075 Uiso 1 1 calc R U . . .
C8 C 0.3414(5) 0.0728(6) 0.5913(7) 0.065(3) Uani 1 1 d . . . . .
H17 H 0.3081 0.0688 0.5653 0.078 Uiso 1 1 calc R U . . .
C9 C 0.3205(9) 0.0652(9) 0.6531(10) 0.112(7) Uani 1 1 d . . . . .
C10 C 0.5010(4) 0.2235(4) 0.5461(6) 0.053(3) Uani 1 1 d . . . . .
H18 H 0.5264 0.2376 0.5765 0.063 Uiso 1 1 calc R U . . .
H19 H 0.5174 0.2346 0.5090 0.063 Uiso 1 1 calc R U . . .
C11 C 0.4422(5) 0.2490(6) 0.5528(7) 0.065(4) Uani 1 1 d . . . . .
H20 H 0.4272 0.2374 0.5907 0.078 Uiso 1 1 calc R U . . .
C12 C 0.4466(8) 0.3136(8) 0.5520(14) 0.141(12) Uani 1 1 d . . . . .
O10 O 0.5475(17) 0.3033(10) 0.3765(11) 0.32(2) Uani 1 1 d . . . . .
O11 O 0.2972(11) -0.0059(12) 0.2302(14) 0.234(13) Uani 1 1 d D . . . .
O12 O 0.4400(11) 0.1605(19) 0.6913(8) 0.259(17) Uani 1 1 d . . . . .
O13 O 0.407(3) 0.407(3) 0.407(3) 0.40(6) Uani 1 3 d S T P . .
O14 O 0.4265(15) 0.2907(8) 0.3985(17) 0.28(2) Uani 1 1 d . . . . .
O15 O 0.6430(19) 0.2977(17) 0.5854(16) 0.33(2) Uani 1 1 d . U . . .
O16 O 0.5835(14) 0.3415(12) 0.4805(16) 0.254(15) Uani 1 1 d . . . . .
O17 O 0.1787(13) 0.1607(13) 0.2576(12) 0.242(15) Uani 1 1 d . . . . .
O18 O 0.6745(14) 0.3876(10) 0.406(2) 0.30(2) Uani 1 1 d . . . . .
O19 O 0.693(3) 0.323(3) 0.288(3) 0.50(4) Uani 1 1 d . U . . .
O20 O 0.1175(15) 0.1175(15) 0.1175(15) 0.29(3) Uani 1 3 d S T P . .
O21 O 0.367(4) 0.2633(17) 0.2974(16) 0.65(9) Uani 1 1 d . . . . .
O22A O 0.355(3) 0.045(3) 0.930(7) 0.34(9) Uani 0.3333 1 d . . P A 1
O23 O 0.1605(19) 0.050(2) 0.3576(19) 0.36(3) Uani 1 1 d D U . . .
O24 O 0.2474(19) 0.0438(19) 0.474(2) 0.42(3) Uani 1 1 d D U . . .
O25 O 0.031(2) 0.053(3) 0.256(2) 0.42(3) Uani 1 1 d D U . . .
O26 O 0.3194(17) 0.1005(16) 0.2342(19) 0.30(2) Uani 1 1 d . U . . .
O27A O 0.428(3) 0.462(3) 0.506(3) 0.29(3) Uani 0.5 1 d . U P B 1
O28 O 0.135(3) 0.060(2) 0.215(3) 0.44(3) Uani 1 1 d D U . . .
O29 O 0.3756(15) 0.2041(15) 0.799(2) 0.40(3) Uani 1 1 d D U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 N1 2.103(7) 12_556 ?
Rh1 N1 2.103(7) 11_645 ?
Rh1 N1 2.103(7) . ?
Rh1 S1 2.332(2) 11_645 ?
Rh1 S1 2.332(2) . ?
Rh1 S1 2.332(2) 12_556 ?
Rh2 N3 2.087(9) . ?
Rh2 N2 2.097(9) . ?
Rh2 N4 2.112(9) . ?
Rh2 S2 2.327(3) . ?
Rh2 S4 2.331(3) . ?
Rh2 S3 2.339(3) . ?
Zn1 O1 1.945(3) . ?
Zn1 S1 2.333(2) . ?
Zn1 S2 2.335(2) . ?
Zn1 S4 2.335(2) 11_645 ?
Zn2 O1 1.975(10) . ?
Zn2 S3 2.336(3) 11_645 ?
Zn2 S3 2.336(3) 12_556 ?
Zn2 S3 2.336(3) . ?
S1 C1 1.850(9) . ?
S2 C4 1.839(11) . ?
S3 C7 1.815(13) . ?
S4 C10 1.854(11) . ?
S4 Zn1 2.335(2) 12_556 ?
O1 Zn1 1.945(3) 12_556 ?
O1 Zn1 1.945(3) 11_645 ?
O2 C3 1.102(17) . ?
O3 C3 1.20(2) . ?
O4 C6 1.20(3) . ?
O5 C6 1.16(3) . ?
O6 C9 1.17(2) . ?
O7 C9 1.22(2) . ?
O8 C12 1.19(3) . ?
O9 C12 1.24(3) . ?
N1 C2 1.483(13) . ?
N1 H1 0.9100 . ?
N1 H2 0.9100 . ?
N2 C5 1.430(17) . ?
N2 H3 0.9100 . ?
N2 H4 0.9100 . ?
N3 C8 1.491(17) . ?
N3 H5 0.9100 . ?
N3 H6 0.9100 . ?
N4 C11 1.435(16) . ?
N4 H7 0.9100 . ?
N4 H8 0.9100 . ?
C1 C2 1.491(16) . ?
C1 H9 0.9900 . ?
C1 H10 0.9900 . ?
C2 C3 1.526(14) . ?
C2 H11 1.0000 . ?
C4 C5 1.541(17) . ?
C4 H12 0.9900 . ?
C4 H13 0.9900 . ?
C5 C6 1.54(2) . ?
C5 H14 1.0000 . ?
C7 C8 1.502(19) . ?
C7 H15 0.9900 . ?
C7 H16 0.9900 . ?
C8 C9 1.55(2) . ?
C8 H17 1.0000 . ?
C10 C11 1.518(15) . ?
C10 H18 0.9900 . ?
C10 H19 0.9900 . ?
C11 C12 1.52(2) . ?
C11 H20 1.0000 . ?

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
N1 Rh1 N1 90.6(3) 12_556 11_645 ?
N1 Rh1 N1 90.6(3) 12_556 . ?
N1 Rh1 N1 90.6(3) 11_645 . ?
N1 Rh1 S1 88.7(2) 12_556 11_645 ?
N1 Rh1 S1 85.4(2) 11_645 11_645 ?
N1 Rh1 S1 176.0(2) . 11_645 ?
N1 Rh1 S1 176.0(2) 12_556 . ?
N1 Rh1 S1 88.7(2) 11_645 . ?
N1 Rh1 S1 85.4(2) . . ?
S1 Rh1 S1 95.23(7) 11_645 . ?
N1 Rh1 S1 85.4(2) 12_556 12_556 ?
N1 Rh1 S1 176.0(2) 11_645 12_556 ?
N1 Rh1 S1 88.7(2) . 12_556 ?
S1 Rh1 S1 95.23(7) 11_645 12_556 ?
S1 Rh1 S1 95.23(7) . 12_556 ?
N3 Rh2 N2 90.5(4) . . ?
N3 Rh2 N4 90.1(4) . . ?
N2 Rh2 N4 91.6(4) . . ?
N3 Rh2 S2 175.4(3) . . ?
N2 Rh2 S2 85.1(3) . . ?
N4 Rh2 S2 88.8(3) . . ?
N3 Rh2 S4 89.5(3) . . ?
N2 Rh2 S4 176.5(3) . . ?
N4 Rh2 S4 84.9(3) . . ?
S2 Rh2 S4 94.92(8) . . ?
N3 Rh2 S3 85.3(3) . . ?
N2 Rh2 S3 88.6(3) . . ?
N4 Rh2 S3 175.3(3) . . ?
S2 Rh2 S3 95.86(10) . . ?
S4 Rh2 S3 94.89(9) . . ?
O1 Zn1 S1 109.2(3) . . ?
O1 Zn1 S2 108.17(8) . . ?
S1 Zn1 S2 108.81(9) . . ?
O1 Zn1 S4 108.6(2) . 11_645 ?
S1 Zn1 S4 111.23(9) . 11_645 ?
S2 Zn1 S4 110.81(9) . 11_645 ?
O1 Zn2 S3 108.24(8) . 11_645 ?
O1 Zn2 S3 108.24(8) . 12_556 ?
S3 Zn2 S3 110.67(7) 11_645 12_556 ?
O1 Zn2 S3 108.24(8) . . ?
S3 Zn2 S3 110.67(7) 11_645 . ?
S3 Zn2 S3 110.67(7) 12_556 . ?
C1 S1 Rh1 96.7(3) . . ?
C1 S1 Zn1 103.6(4) . . ?
Rh1 S1 Zn1 113.48(9) . . ?
C4 S2 Rh2 97.8(4) . . ?
C4 S2 Zn1 101.8(4) . . ?
Rh2 S2 Zn1 113.13(11) . . ?
C7 S3 Zn2 104.3(5) . . ?
C7 S3 Rh2 97.4(5) . . ?
Zn2 S3 Rh2 113.07(10) . . ?
C10 S4 Rh2 97.2(4) . . ?
C10 S4 Zn1 103.0(4) . 12_556 ?
Rh2 S4 Zn1 112.79(9) . 12_556 ?
Zn1 O1 Zn1 109.5(3) 12_556 11_645 ?
Zn1 O1 Zn1 109.5(3) 12_556 . ?
Zn1 O1 Zn1 109.5(3) 11_645 . ?
Zn1 O1 Zn2 109.4(3) 12_556 . ?
Zn1 O1 Zn2 109.4(3) 11_645 . ?
Zn1 O1 Zn2 109.4(3) . . ?
C2 N1 Rh1 111.9(6) . . ?
C2 N1 H1 109.2 . . ?
Rh1 N1 H1 109.2 . . ?
C2 N1 H2 109.2 . . ?
Rh1 N1 H2 109.2 . . ?
H1 N1 H2 107.9 . . ?
C5 N2 Rh2 113.4(7) . . ?
C5 N2 H3 108.9 . . ?
Rh2 N2 H3 108.9 . . ?
C5 N2 H4 108.9 . . ?
Rh2 N2 H4 108.9 . . ?
H3 N2 H4 107.7 . . ?
C8 N3 Rh2 113.1(8) . . ?
C8 N3 H5 109.0 . . ?
Rh2 N3 H5 109.0 . . ?
C8 N3 H6 109.0 . . ?
Rh2 N3 H6 109.0 . . ?
H5 N3 H6 107.8 . . ?
C11 N4 Rh2 113.6(8) . . ?
C11 N4 H7 108.8 . . ?
Rh2 N4 H7 108.8 . . ?
C11 N4 H8 108.8 . . ?
Rh2 N4 H8 108.8 . . ?
H7 N4 H8 107.7 . . ?
C2 C1 S1 107.9(7) . . ?
C2 C1 H9 110.1 . . ?
S1 C1 H9 110.1 . . ?
C2 C1 H10 110.1 . . ?
S1 C1 H10 110.1 . . ?
H9 C1 H10 108.4 . . ?
N1 C2 C1 109.0(8) . . ?
N1 C2 C3 111.8(8) . . ?
C1 C2 C3 110.7(10) . . ?
N1 C2 H11 108.4 . . ?
C1 C2 H11 108.4 . . ?
C3 C2 H11 108.4 . . ?
O2 C3 O3 120.1(14) . . ?
O2 C3 C2 121.1(12) . . ?
O3 C3 C2 118.3(13) . . ?
C5 C4 S2 107.2(8) . . ?
C5 C4 H12 110.3 . . ?
S2 C4 H12 110.3 . . ?
C5 C4 H13 110.3 . . ?
S2 C4 H13 110.3 . . ?
H12 C4 H13 108.5 . . ?
N2 C5 C6 112.7(13) . . ?
N2 C5 C4 110.1(9) . . ?
C6 C5 C4 109.4(12) . . ?
N2 C5 H14 108.2 . . ?
C6 C5 H14 108.2 . . ?
C4 C5 H14 108.2 . . ?
O5 C6 O4 125(2) . . ?
O5 C6 C5 119.0(19) . . ?
O4 C6 C5 115.5(18) . . ?
C8 C7 S3 109.7(10) . . ?
C8 C7 H15 109.7 . . ?
S3 C7 H15 109.7 . . ?
C8 C7 H16 109.7 . . ?
S3 C7 H16 109.7 . . ?
H15 C7 H16 108.2 . . ?
N3 C8 C7 109.2(9) . . ?
N3 C8 C9 112.0(13) . . ?
C7 C8 C9 110.8(14) . . ?
N3 C8 H17 108.2 . . ?
C7 C8 H17 108.2 . . ?
C9 C8 H17 108.2 . . ?
O6 C9 O7 125(2) . . ?
O6 C9 C8 119.2(17) . . ?
O7 C9 C8 115(2) . . ?
C11 C10 S4 108.3(8) . . ?
C11 C10 H18 110.0 . . ?
S4 C10 H18 110.0 . . ?
C11 C10 H19 110.0 . . ?
S4 C10 H19 110.0 . . ?
H18 C10 H19 108.4 . . ?
N4 C11 C10 109.7(9) . . ?
N4 C11 C12 113.7(15) . . ?
C10 C11 C12 109.4(12) . . ?
N4 C11 H20 108.0 . . ?
C10 C11 H20 108.0 . . ?
C12 C11 H20 108.0 . . ?
O8 C12 O9 123.1(19) . . ?
O8 C12 C11 119.1(18) . . ?
O9 C12 C11 117(2) . . ?

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
Rh1 S1 C1 C2 39.3(7) . . . . ?
Zn1 S1 C1 C2 155.5(6) . . . . ?
Rh1 N1 C2 C1 50.3(9) . . . . ?
Rh1 N1 C2 C3 173.1(8) . . . . ?
S1 C1 C2 N1 -60.2(9) . . . . ?
S1 C1 C2 C3 176.4(7) . . . . ?
N1 C2 C3 O2 -10(3) . . . . ?
C1 C2 C3 O2 112(2) . . . . ?
N1 C2 C3 O3 162(2) . . . . ?
C1 C2 C3 O3 -76(2) . . . . ?
Rh2 S2 C4 C5 36.1(9) . . . . ?
Zn1 S2 C4 C5 151.8(8) . . . . ?
Rh2 N2 C5 C6 171.7(10) . . . . ?
Rh2 N2 C5 C4 49.3(12) . . . . ?
S2 C4 C5 N2 -57.2(13) . . . . ?
S2 C4 C5 C6 178.4(11) . . . . ?
N2 C5 C6 O5 169(2) . . . . ?
C4 C5 C6 O5 -68(3) . . . . ?
N2 C5 C6 O4 -10(3) . . . . ?
C4 C5 C6 O4 113(3) . . . . ?
Zn2 S3 C7 C8 153.1(8) . . . . ?
Rh2 S3 C7 C8 36.9(10) . . . . ?
Rh2 N3 C8 C7 47.2(14) . . . . ?
Rh2 N3 C8 C9 170.3(12) . . . . ?
S3 C7 C8 N3 -56.3(14) . . . . ?
S3 C7 C8 C9 179.8(12) . . . . ?
N3 C8 C9 O6 2(3) . . . . ?
C7 C8 C9 O6 124(3) . . . . ?
N3 C8 C9 O7 174.8(18) . . . . ?
C7 C8 C9 O7 -63(2) . . . . ?
Rh2 S4 C10 C11 36.5(9) . . . . ?
Zn1 S4 C10 C11 151.9(8) 12_556 . . . ?
Rh2 N4 C11 C10 48.9(14) . . . . ?
Rh2 N4 C11 C12 171.7(13) . . . . ?
S4 C10 C11 N4 -57.1(14) . . . . ?
S4 C10 C11 C12 177.5(15) . . . . ?
N4 C11 C12 O8 7(3) . . . . ?
C10 C11 C12 O8 130(3) . . . . ?
N4 C11 C12 O9 174(2) . . . . ?
C10 C11 C12 O9 -63(3) . . . . ?

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
N1 H1 O10 0.91 2.19 3.083(19) 168.1 .
N1 H2 O19 0.91 2.30 3.06(5) 141.0 .
N2 H3 O24 0.91 2.12 2.91(3) 144.5 .
N1 H1 O10 0.91 2.19 3.083(19) 168.1 .
N1 H2 O19 0.91 2.30 3.06(5) 141.0 .
N2 H3 O24 0.91 2.12 2.91(3) 144.5 .
N2 H4 O3 0.91 1.87 2.774(16) 174.0 6
N3 H5 O12 0.91 2.29 3.18(2) 167.9 .
N3 H6 O2 0.91 2.50 3.33(2) 152.1 6
N3 H6 O3 0.91 2.62 3.36(2) 139.3 6
N4 H7 O14 0.91 2.17 3.07(3) 169.6 .
N4 H8 O2 0.91 1.96 2.836(15) 162.4 6
C1 H9 O15 0.99 2.50 3.46(3) 163.2 11_645
C1 H10 S2 0.99 2.88 3.617(11) 131.6 .
C4 H13 S4 0.99 2.88 3.650(12) 135.5 11_645
C7 H16 S3 0.99 2.96 3.716(14) 133.7 12_556
C8 H17 O24 1.00 2.66 3.61(4) 160.1 .
C10 H19 S1 0.99 2.93 3.691(11) 134.1 12_556

_refine_diff_density_max         0.751
_refine_diff_density_min         -0.531
_refine_diff_density_rms         0.151

_shelxl_version_number           2014-3

