#------------------------------------------------------------------------------
#$Date: 2022-11-07 07:45:58 +0200 (Mon, 07 Nov 2022) $
#$Revision: 279025 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/06/18/7061863.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_7061863
loop_
_publ_author_name
'Dkhar, Lincoln'
'Gupta, Hrishikesh'
'Poluri, Krishna Mohan'
'Gannon, Paige M.'
'Kaminsky, Werner'
'Kollipara, Mohan Rao'
_publ_section_title
;
 Influence of counterions on the formation of supramolecular platinum
 group metal complexes containing pyridyl thioamide derivatives:
 antioxidant and antimicrobial studies
;
_journal_issue                   40
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              19241
_journal_page_last               19253
_journal_paper_doi               10.1039/D2NJ03108F
_journal_volume                  46
_journal_year                    2022
_chemical_formula_moiety         'C40 H54 Cl2 N4 O2 Rh2 S2, 2(F6 P), C3 H6 O'
_chemical_formula_sum            'C43 H60 Cl2 F12 N4 O3 P2 Rh2 S2'
_chemical_formula_weight         1311.73
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.3
_audit_creation_date             2021-02-01T11:50:07-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2022-02-26 deposited with the CCDC.	2022-09-12 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 101.726(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   22.0955(16)
_cell_length_b                   16.5036(16)
_cell_length_c                   14.8446(13)
_cell_measurement_reflns_used    9576
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.38
_cell_measurement_theta_min      2.84
_cell_measurement_wavelength     0.71073
_cell_volume                     5300.2(8)
_computing_cell_refinement       'SAINT V8.34A integration software'
_computing_data_collection       'Bruker APEX2 software'
_computing_data_reduction        'SORTAV (Blessing, 1995)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'APEX-II CCD'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device       'κ-geometry diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II'
_diffrn_measurement_method       'φ or ω oscillation scans'
_diffrn_orient_matrix_UB_11      -0.056816
_diffrn_orient_matrix_UB_12      0.063886
_diffrn_orient_matrix_UB_13      0.001993
_diffrn_orient_matrix_UB_21      0.025746
_diffrn_orient_matrix_UB_22      0.016562
_diffrn_orient_matrix_UB_23      0.05328
_diffrn_orient_matrix_UB_31      0.043807
_diffrn_orient_matrix_UB_32      0.038084
_diffrn_orient_matrix_UB_33      -0.043482
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.012
_diffrn_reflns_av_unetI/netI     0.0095
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            25863
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         28.464
_diffrn_reflns_theta_min         1.552
_diffrn_source                   'sealed x-ray tube'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.947
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_correction_T_min  0.672
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2012/1 - Bruker AXS area detector scaling and absorption correction
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.644
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2656
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.4
_refine_diff_density_max         0.562
_refine_diff_density_min         -0.473
_refine_diff_density_rms         0.053
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     399
_refine_ls_number_reflns         6652
_refine_ls_number_restraints     171
_refine_ls_restrained_S_all      1.108
_refine_ls_R_factor_all          0.0203
_refine_ls_R_factor_gt           0.019
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0145P)²+9.6312P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.044
_refine_ls_wR_factor_ref         0.0448
_reflns_Friedel_coverage         0
_reflns_number_gt                6335
_reflns_number_total             6652
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2nj03108f2.cif
_cod_data_source_block           shelx_CCDC10
_cod_depositor_comments
'Adding full bibliography for 7061852--7061867.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7061863
_shelx_estimated_absorpt_t_min   0.6
_shelx_estimated_absorpt_t_max   0.703
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.31966(7) 0.19709(10) 0.47287(10) 0.0228(3) Uani 1 1 d . . . . .
C2 C 0.29621(6) 0.17307(9) 0.37958(10) 0.0200(3) Uani 1 1 d . . . . .
C3 C 0.30313(6) 0.24122(9) 0.32217(9) 0.0185(3) Uani 1 1 d . . . . .
C4 C 0.33288(6) 0.30504(8) 0.37873(10) 0.0194(3) Uani 1 1 d . . . . .
C5 C 0.34402(6) 0.27696(10) 0.47326(10) 0.0219(3) Uani 1 1 d . . . . .
C6 C 0.31871(9) 0.14645(13) 0.55603(13) 0.0412(5) Uani 1 1 d . . . . .
H6A H 0.3533 0.162 0.6055 0.062 Uiso 1 1 calc R U . . .
H6B H 0.3226 0.0891 0.5409 0.062 Uiso 1 1 calc R U . . .
H6C H 0.2796 0.155 0.5762 0.062 Uiso 1 1 calc R U . . .
C7 C 0.26653(8) 0.09407(11) 0.34684(15) 0.0381(4) Uani 1 1 d . . . . .
H7A H 0.2795 0.0525 0.3939 0.057 Uiso 1 1 calc R U . . .
H7B H 0.2792 0.078 0.2898 0.057 Uiso 1 1 calc R U . . .
H7C H 0.2215 0.0999 0.3353 0.057 Uiso 1 1 calc R U . . .
C8 C 0.28010(8) 0.24345(13) 0.22059(11) 0.0339(4) Uani 1 1 d . . . . .
H8A H 0.2362 0.2583 0.2071 0.051 Uiso 1 1 calc R U . . .
H8B H 0.2852 0.1899 0.1946 0.051 Uiso 1 1 calc R U . . .
H8C H 0.3037 0.2836 0.1933 0.051 Uiso 1 1 calc R U . . .
C9 C 0.34634(8) 0.38766(10) 0.34650(15) 0.0351(4) Uani 1 1 d . . . . .
H9A H 0.3541 0.3841 0.2839 0.053 Uiso 1 1 calc R U . . .
H9B H 0.3829 0.4099 0.3877 0.053 Uiso 1 1 calc R U . . .
H9C H 0.3108 0.4232 0.3467 0.053 Uiso 1 1 calc R U . . .
C10 C 0.37242(9) 0.32625(14) 0.55525(13) 0.0420(5) Uani 1 1 d . . . . .
H10A H 0.3419 0.3649 0.5691 0.063 Uiso 1 1 calc R U . . .
H10B H 0.4082 0.3558 0.5423 0.063 Uiso 1 1 calc R U . . .
H10C H 0.3858 0.2904 0.6082 0.063 Uiso 1 1 calc R U . . .
C11 C 0.58947(6) 0.06906(8) 0.23953(9) 0.0169(2) Uani 1 1 d . . . . .
H11 H 0.5987 0.0356 0.192 0.02 Uiso 1 1 calc R U . . .
C12 C 0.58087(6) 0.03326(8) 0.32015(10) 0.0176(3) Uani 1 1 d . . . . .
H12 H 0.5841 -0.0238 0.3277 0.021 Uiso 1 1 calc R U . . .
C13 C 0.56747(6) 0.08161(8) 0.38967(9) 0.0153(2) Uani 1 1 d . . . . .
H13 H 0.5616 0.0583 0.4458 0.018 Uiso 1 1 calc R U . . .
C14 C 0.56279(6) 0.16517(8) 0.37586(8) 0.0126(2) Uani 1 1 d . . . . .
C15 C 0.57186(6) 0.19681(7) 0.29276(9) 0.0127(2) Uani 1 1 d . . . . .
H15 H 0.5685 0.2537 0.283 0.015 Uiso 1 1 calc R U . . .
C16 C 0.54649(6) 0.22053(8) 0.44629(8) 0.0125(2) Uani 1 1 d . . . . .
C17 C 0.56474(7) 0.26185(10) 0.60824(9) 0.0227(3) Uani 1 1 d . . . . .
H17A H 0.5231 0.2863 0.5905 0.027 Uiso 1 1 calc R U . . .
H17B H 0.5949 0.3055 0.63 0.027 Uiso 1 1 calc R U . . .
C18 C 0.56559(7) 0.19975(11) 0.68406(10) 0.0290(3) Uani 1 1 d . . . . .
H18A H 0.5553 0.2269 0.7385 0.035 Uiso 1 1 calc R U . . .
H18B H 0.5335 0.1583 0.6627 0.035 Uiso 1 1 calc R U . . .
C19 C 0.63968(7) 0.12086(10) 0.63301(10) 0.0251(3) Uani 1 1 d . . . . .
H19A H 0.6088 0.0781 0.6114 0.03 Uiso 1 1 calc R U . . .
H19B H 0.6805 0.0945 0.652 0.03 Uiso 1 1 calc R U . . .
C20 C 0.64164(6) 0.17935(9) 0.55482(9) 0.0172(2) Uani 1 1 d . . . . .
H20A H 0.6746 0.2201 0.5745 0.021 Uiso 1 1 calc R U . . .
H20B H 0.6509 0.1496 0.5013 0.021 Uiso 1 1 calc R U . . .
N1 N 0.58527(5) 0.14950(7) 0.22588(7) 0.0134(2) Uani 1 1 d . . . . .
N2 N 0.58110(5) 0.22006(7) 0.52886(7) 0.0147(2) Uani 1 1 d . . . . .
O1 O 0.62419(5) 0.16108(8) 0.70994(7) 0.0303(3) Uani 1 1 d . . . . .
P1 P 0.69185(11) 0.40808(16) 0.4843(2) 0.0301(4) Uani 0.518(3) 1 d D U P A 1
F1 F 0.72901(11) 0.32613(17) 0.5049(2) 0.0552(8) Uani 0.518(3) 1 d D U P A 1
F2 F 0.7182(2) 0.4183(3) 0.3934(2) 0.0547(12) Uani 0.518(3) 1 d D U P A 1
F3 F 0.6560(2) 0.49013(17) 0.4630(3) 0.0905(14) Uani 0.518(3) 1 d D U P A 1
F4 F 0.66344(18) 0.3962(2) 0.5740(2) 0.0647(10) Uani 0.518(3) 1 d D U P A 1
F5 F 0.6347(4) 0.3587(4) 0.4258(6) 0.0591(19) Uani 0.518(3) 1 d D U P A 1
F6 F 0.74846(19) 0.4563(3) 0.5413(2) 0.0859(13) Uani 0.518(3) 1 d D U P A 1
P2 P 0.67518(10) 0.42043(16) 0.47202(19) 0.0207(3) Uani 0.482(3) 1 d D U P A 2
F7 F 0.6997(2) 0.3706(2) 0.5620(3) 0.0810(15) Uani 0.482(3) 1 d D U P A 2
F8 F 0.71035(12) 0.49900(13) 0.51976(15) 0.0312(5) Uani 0.482(3) 1 d D U P A 2
F9 F 0.64937(13) 0.47188(16) 0.38177(18) 0.0489(7) Uani 0.482(3) 1 d D U P A 2
F10 F 0.6423(4) 0.3409(4) 0.4244(5) 0.0364(12) Uani 0.482(3) 1 d D U P A 2
F11 F 0.73457(17) 0.4021(3) 0.4300(4) 0.0661(14) Uani 0.482(3) 1 d D U P A 2
F12 F 0.61510(12) 0.44377(19) 0.5083(2) 0.0580(9) Uani 0.482(3) 1 d D U P A 2
S1 S 0.48447(2) 0.28490(2) 0.41549(2) 0.01390(6) Uani 1 1 d . . . . .
Cl1 Cl 0.44532(2) 0.09318(2) 0.48548(2) 0.01671(6) Uani 1 1 d . . . . .
Rh1 Rh 0.39251(2) 0.20124(2) 0.39437(2) 0.01117(3) Uani 1 1 d . . . . .
C21 C 0.5122(5) 0.4918(5) 0.6857(8) 0.101(2) Uani 0.5 1 d D . P B -1
H21A H 0.5192 0.4594 0.6333 0.152 Uiso 0.5 1 calc R U P B -1
H21B H 0.5489 0.5249 0.709 0.152 Uiso 0.5 1 calc R U P B -1
H21C H 0.4764 0.5271 0.6658 0.152 Uiso 0.5 1 calc R U P B -1
C22 C 0.5005(5) 0.4367(2) 0.7601(9) 0.0490(17) Uani 0.5 1 d D U P B -1
O2 O 0.5028(12) 0.36427(15) 0.7542(12) 0.0482(15) Uani 0.5 1 d D U P B -1
C23 C 0.4856(6) 0.4741(5) 0.8431(8) 0.101(2) Uani 0.5 1 d D U P B -1
H23A H 0.4407 0.4803 0.8349 0.152 Uiso 0.5 1 calc R U P B -1
H23B H 0.5053 0.5275 0.8529 0.152 Uiso 0.5 1 calc R U P B -1
H23C H 0.5008 0.4395 0.8965 0.152 Uiso 0.5 1 calc R U P B -1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C5 C1 C2 108.80(12) . . ?
C5 C1 C6 125.69(16) . . ?
C2 C1 C6 125.52(16) . . ?
C5 C1 Rh1 69.63(8) . . ?
C2 C1 Rh1 69.62(8) . . ?
C6 C1 Rh1 126.67(10) . . ?
C1 C2 C3 107.19(13) . . ?
C1 C2 C7 127.15(15) . . ?
C3 C2 C7 125.57(15) . . ?
C1 C2 Rh1 71.63(8) . . ?
C3 C2 Rh1 70.64(7) . . ?
C7 C2 Rh1 125.62(10) . . ?
C4 C3 C2 108.75(12) . . ?
C4 C3 C8 126.92(14) . . ?
C2 C3 C8 124.28(15) . . ?
C4 C3 Rh1 70.46(7) . . ?
C2 C3 Rh1 70.25(7) . . ?
C8 C3 Rh1 127.00(10) . . ?
C3 C4 C5 107.56(13) . . ?
C3 C4 C9 125.80(14) . . ?
C5 C4 C9 126.54(15) . . ?
C3 C4 Rh1 70.88(8) . . ?
C5 C4 Rh1 70.14(7) . . ?
C9 C4 Rh1 127.26(10) . . ?
C1 C5 C4 107.60(13) . . ?
C1 C5 C10 127.16(15) . . ?
C4 C5 C10 125.14(16) . . ?
C1 C5 Rh1 71.84(8) . . ?
C4 C5 Rh1 70.31(7) . . ?
C10 C5 Rh1 126.14(11) . . ?
C1 C6 H6A 109.5 . . ?
C1 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C1 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C5 C10 H10A 109.5 . . ?
C5 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C5 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N1 C11 C12 122.40(12) . . ?
N1 C11 H11 118.8 . . ?
C12 C11 H11 118.8 . . ?
C11 C12 C13 119.16(12) . . ?
C11 C12 H12 120.4 . . ?
C13 C12 H12 120.4 . . ?
C12 C13 C14 118.78(12) . . ?
C12 C13 H13 120.6 . . ?
C14 C13 H13 120.6 . . ?
C15 C14 C13 118.79(12) . . ?
C15 C14 C16 119.48(11) . . ?
C13 C14 C16 121.70(11) . . ?
N1 C15 C14 122.05(11) . . ?
N1 C15 H15 119 . . ?
C14 C15 H15 119 . . ?
N2 C16 C14 118.48(11) . . ?
N2 C16 S1 122.40(10) . . ?
C14 C16 S1 119.09(9) . . ?
N2 C17 C18 107.99(13) . . ?
N2 C17 H17A 110.1 . . ?
C18 C17 H17A 110.1 . . ?
N2 C17 H17B 110.1 . . ?
C18 C17 H17B 110.1 . . ?
H17A C17 H17B 108.4 . . ?
O1 C18 C17 112.06(13) . . ?
O1 C18 H18A 109.2 . . ?
C17 C18 H18A 109.2 . . ?
O1 C18 H18B 109.2 . . ?
C17 C18 H18B 109.2 . . ?
H18A C18 H18B 107.9 . . ?
O1 C19 C20 111.50(13) . . ?
O1 C19 H19A 109.3 . . ?
C20 C19 H19A 109.3 . . ?
O1 C19 H19B 109.3 . . ?
C20 C19 H19B 109.3 . . ?
H19A C19 H19B 108 . . ?
N2 C20 C19 108.91(11) . . ?
N2 C20 H20A 109.9 . . ?
C19 C20 H20A 109.9 . . ?
N2 C20 H20B 109.9 . . ?
C19 C20 H20B 109.9 . . ?
H20A C20 H20B 108.3 . . ?
C15 N1 C11 118.82(11) . . ?
C15 N1 Rh1 120.73(9) . 2_655 ?
C11 N1 Rh1 120.22(9) . 2_655 ?
C16 N2 C17 123.78(11) . . ?
C16 N2 C20 125.04(11) . . ?
C17 N2 C20 111.17(11) . . ?
C19 O1 C18 110.28(11) . . ?
F3 P1 F6 89.2(3) . . ?
F3 P1 F1 178.8(3) . . ?
F6 P1 F1 90.2(2) . . ?
F3 P1 F2 89.6(2) . . ?
F6 P1 F2 90.8(2) . . ?
F1 P1 F2 89.4(2) . . ?
F3 P1 F4 90.4(2) . . ?
F6 P1 F4 91.0(2) . . ?
F1 P1 F4 90.6(2) . . ?
F2 P1 F4 178.2(3) . . ?
F3 P1 F5 91.2(4) . . ?
F6 P1 F5 179.4(4) . . ?
F1 P1 F5 89.4(3) . . ?
F2 P1 F5 88.8(4) . . ?
F4 P1 F5 89.4(4) . . ?
F7 P2 F12 90.3(3) . . ?
F7 P2 F9 178.8(3) . . ?
F12 P2 F9 88.55(19) . . ?
F7 P2 F11 93.7(3) . . ?
F12 P2 F11 175.8(3) . . ?
F9 P2 F11 87.4(3) . . ?
F7 P2 F10 89.6(3) . . ?
F12 P2 F10 90.7(3) . . ?
F9 P2 F10 90.7(3) . . ?
F11 P2 F10 90.5(3) . . ?
F7 P2 F8 89.7(2) . . ?
F12 P2 F8 91.00(19) . . ?
F9 P2 F8 89.96(18) . . ?
F11 P2 F8 87.8(2) . . ?
F10 P2 F8 178.2(3) . . ?
C16 S1 Rh1 106.51(4) . . ?
N1 Rh1 C5 156.97(5) 2_655 . ?
N1 Rh1 C4 118.15(5) 2_655 . ?
C5 Rh1 C4 39.55(5) . . ?
N1 Rh1 C2 102.75(5) 2_655 . ?
C5 Rh1 C2 65.58(6) . . ?
C4 Rh1 C2 65.62(5) . . ?
N1 Rh1 C3 92.88(5) 2_655 . ?
C5 Rh1 C3 65.34(5) . . ?
C4 Rh1 C3 38.67(5) . . ?
C2 Rh1 C3 39.11(5) . . ?
N1 Rh1 C1 139.58(5) 2_655 . ?
C5 Rh1 C1 38.52(6) . . ?
C4 Rh1 C1 64.99(5) . . ?
C2 Rh1 C1 38.75(6) . . ?
C3 Rh1 C1 64.61(5) . . ?
N1 Rh1 Cl1 90.34(3) 2_655 . ?
C5 Rh1 Cl1 111.48(4) . . ?
C4 Rh1 Cl1 150.98(4) . . ?
C2 Rh1 Cl1 104.82(4) . . ?
C3 Rh1 Cl1 143.42(4) . . ?
C1 Rh1 Cl1 90.15(4) . . ?
N1 Rh1 S1 90.39(3) 2_655 . ?
C5 Rh1 S1 95.52(4) . . ?
C4 Rh1 S1 92.26(4) . . ?
C2 Rh1 S1 157.62(4) . . ?
C3 Rh1 S1 123.41(4) . . ?
C1 Rh1 S1 129.93(5) . . ?
Cl1 Rh1 S1 92.968(12) . . ?
C22 C21 H21A 109.5 . . ?
C22 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C22 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
O2 C22 C23 120.0(11) . . ?
O2 C22 C21 122.3(12) . . ?
C23 C22 C21 117.7(4) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C5 1.423(2) . ?
C1 C2 1.432(2) . ?
C1 C6 1.494(2) . ?
C1 Rh1 2.1717(13) . ?
C2 C3 1.4379(19) . ?
C2 C7 1.496(2) . ?
C2 Rh1 2.1451(13) . ?
C3 C4 1.422(2) . ?
C3 C8 1.491(2) . ?
C3 Rh1 2.1504(13) . ?
C4 C5 1.451(2) . ?
C4 C9 1.495(2) . ?
C4 Rh1 2.1449(13) . ?
C5 C10 1.492(2) . ?
C5 Rh1 2.1426(13) . ?
C6 H6A 0.98 . ?
C6 H6B 0.98 . ?
C6 H6C 0.98 . ?
C7 H7A 0.98 . ?
C7 H7B 0.98 . ?
C7 H7C 0.98 . ?
C8 H8A 0.98 . ?
C8 H8B 0.98 . ?
C8 H8C 0.98 . ?
C9 H9A 0.98 . ?
C9 H9B 0.98 . ?
C9 H9C 0.98 . ?
C10 H10A 0.98 . ?
C10 H10B 0.98 . ?
C10 H10C 0.98 . ?
C11 N1 1.3432(17) . ?
C11 C12 1.3820(19) . ?
C11 H11 0.95 . ?
C12 C13 1.3834(19) . ?
C12 H12 0.95 . ?
C13 C14 1.3949(18) . ?
C13 H13 0.95 . ?
C14 C15 1.3911(17) . ?
C14 C16 1.4868(17) . ?
C15 N1 1.3426(16) . ?
C15 H15 0.95 . ?
C16 N2 1.3062(16) . ?
C16 S1 1.7207(13) . ?
C17 N2 1.4725(17) . ?
C17 C18 1.520(2) . ?
C17 H17A 0.99 . ?
C17 H17B 0.99 . ?
C18 O1 1.425(2) . ?
C18 H18A 0.99 . ?
C18 H18B 0.99 . ?
C19 O1 1.422(2) . ?
C19 C20 1.5169(19) . ?
C19 H19A 0.99 . ?
C19 H19B 0.99 . ?
C20 N2 1.4763(16) . ?
C20 H20A 0.99 . ?
C20 H20B 0.99 . ?
N1 Rh1 2.1243(11) 2_655 ?
P1 F3 1.568(4) . ?
P1 F6 1.576(4) . ?
P1 F1 1.580(3) . ?
P1 F2 1.584(4) . ?
P1 F4 1.595(4) . ?
P1 F5 1.602(8) . ?
P2 F7 1.568(4) . ?
P2 F12 1.579(3) . ?
P2 F9 1.591(3) . ?
P2 F11 1.592(4) . ?
P2 F10 1.595(6) . ?
P2 F8 1.601(3) . ?
S1 Rh1 2.4237(4) . ?
Cl1 Rh1 2.3936(3) . ?
Rh1 N1 2.1243(11) 2_655 ?
C21 C22 1.494(8) . ?
C21 H21A 0.98 . ?
C21 H21B 0.98 . ?
C21 H21C 0.98 . ?
C22 O2 1.200(5) . ?
C22 C23 1.474(10) . ?
C23 H23A 0.98 . ?
C23 H23B 0.98 . ?
C23 H23C 0.98 . ?
