#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:45:54 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180154 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/50/7105012.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_7105012
loop_
_publ_author_name
'Blacker, A John'
'Clot, Eric'
'Duckett, Simon B'
'Eisenstein, Odile'
'Grace, Jake'
'Nova, Ainara'
'Perutz, Robin N'
'Taylor, David J'
'Whitwood, Adrian C'
_publ_section_title
;
 Synthesis and structure of "16-electron" rhodium(III) catalysts
 fortransfer hydrogenation of a cyclic imine: mechanistic implications.
;
_journal_issue                   44
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              6801
_journal_page_last               6803
_journal_paper_doi               10.1039/b912943j
_journal_year                    2009
_chemical_formula_moiety         'C23 H28 Cl N2 O2 Rh S'
_chemical_formula_sum            'C23 H28 Cl N2 O2 Rh S'
_chemical_formula_weight         534.89
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                117.247(2)
_cell_angle_beta                 104.377(2)
_cell_angle_gamma                92.805(2)
_cell_formula_units_Z            4
_cell_length_a                   11.0617(11)
_cell_length_b                   15.1303(15)
_cell_length_c                   16.2600(17)
_cell_measurement_reflns_used    7937
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      28.26
_cell_measurement_theta_min      2.59
_cell_volume                     2301.5(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0213
_diffrn_reflns_av_sigmaI/netI    0.0257
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            31550
_diffrn_reflns_theta_full        28.29
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         1.48
_exptl_absorpt_coefficient_mu    0.971
_exptl_absorpt_correction_T_max  0.943
_exptl_absorpt_correction_T_min  0.831
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS v2.03 (Sheldrick)'
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.544
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1096
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.701
_refine_diff_density_min         -0.344
_refine_diff_density_rms         0.071
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     569
_refine_ls_number_reflns         11375
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0282
_refine_ls_R_factor_gt           0.0232
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0293P)²+1.1670P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0573
_refine_ls_wR_factor_ref         0.0591
_reflns_number_gt                10101
_reflns_number_total             11375
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b912943j.txt
_cod_data_source_block           rnp0808m
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-Scan' changed
to 'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7105012
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.55620(16) 0.35449(13) 0.32232(12) 0.0162(3) Uani 1 1 d . . .
C2 C 0.60751(16) 0.30981(13) 0.24218(12) 0.0158(3) Uani 1 1 d . . .
C3 C 0.53354(16) 0.21144(12) 0.17456(12) 0.0139(3) Uani 1 1 d . . .
C4 C 0.43505(16) 0.19344(12) 0.21278(12) 0.0146(3) Uani 1 1 d . . .
C5 C 0.45242(16) 0.28069(13) 0.30501(12) 0.0161(3) Uani 1 1 d . . .
C6 C 0.60689(19) 0.45592(14) 0.41107(13) 0.0253(4) Uani 1 1 d . . .
H6A H 0.6557 0.4473 0.4653 0.038 Uiso 1 1 calc R . .
H6B H 0.5360 0.4892 0.4277 0.038 Uiso 1 1 calc R . .
H6C H 0.6621 0.4977 0.3984 0.038 Uiso 1 1 calc R . .
C7 C 0.72014(17) 0.35961(15) 0.23392(15) 0.0243(4) Uani 1 1 d . . .
H7A H 0.7981 0.3512 0.2720 0.036 Uiso 1 1 calc R . .
H7B H 0.7187 0.4319 0.2587 0.036 Uiso 1 1 calc R . .
H7C H 0.7177 0.3284 0.1656 0.036 Uiso 1 1 calc R . .
C8 C 0.55466(18) 0.13824(13) 0.08171(13) 0.0197(4) Uani 1 1 d . . .
H8A H 0.6036 0.1749 0.0604 0.029 Uiso 1 1 calc R . .
H8B H 0.4725 0.1026 0.0319 0.029 Uiso 1 1 calc R . .
H8C H 0.6018 0.0891 0.0919 0.029 Uiso 1 1 calc R . .
C9 C 0.33448(17) 0.10014(13) 0.16527(14) 0.0201(4) Uani 1 1 d . . .
H9A H 0.3606 0.0562 0.1931 0.030 Uiso 1 1 calc R . .
H9B H 0.3229 0.0639 0.0953 0.030 Uiso 1 1 calc R . .
H9C H 0.2543 0.1194 0.1763 0.030 Uiso 1 1 calc R . .
C10 C 0.3757(2) 0.29286(16) 0.37188(14) 0.0251(4) Uani 1 1 d . . .
H10A H 0.2913 0.2499 0.3343 0.038 Uiso 1 1 calc R . .
H10B H 0.3668 0.3638 0.4058 0.038 Uiso 1 1 calc R . .
H10C H 0.4185 0.2729 0.4195 0.038 Uiso 1 1 calc R . .
C11 C 0.15172(16) 0.22017(13) 0.05752(12) 0.0149(3) Uani 1 1 d . . .
C12 C 0.06359(17) 0.13500(14) -0.01372(13) 0.0205(4) Uani 1 1 d . . .
H12 H 0.0802 0.0919 -0.0726 0.025 Uiso 1 1 calc R . .
C13 C -0.04999(18) 0.11269(15) 0.00136(15) 0.0249(4) Uani 1 1 d . . .
H13 H -0.1112 0.0539 -0.0469 0.030 Uiso 1 1 calc R . .
C14 C -0.07290(18) 0.17670(15) 0.08703(15) 0.0252(4) Uani 1 1 d . . .
H14 H -0.1508 0.1618 0.0970 0.030 Uiso 1 1 calc R . .
C15 C 0.01587(17) 0.26259(14) 0.15906(14) 0.0214(4) Uani 1 1 d . . .
H15 H -0.0022 0.3061 0.2171 0.026 Uiso 1 1 calc R . .
C16 C 0.13152(16) 0.28507(12) 0.14621(12) 0.0146(3) Uani 1 1 d . . .
C17 C 0.11301(17) 0.51676(13) 0.23514(12) 0.0164(3) Uani 1 1 d . . .
C18 C -0.00740(18) 0.52795(15) 0.24479(14) 0.0240(4) Uani 1 1 d . . .
H18 H -0.0359 0.5095 0.2863 0.029 Uiso 1 1 calc R . .
C19 C -0.0859(2) 0.56637(16) 0.19305(15) 0.0280(4) Uani 1 1 d . . .
H19 H -0.1682 0.5743 0.1998 0.034 Uiso 1 1 calc R . .
C20 C -0.04595(19) 0.59329(14) 0.13164(14) 0.0233(4) Uani 1 1 d . . .
C21 C 0.07551(18) 0.58105(14) 0.12319(13) 0.0211(4) Uani 1 1 d . . .
H21 H 0.1042 0.5994 0.0817 0.025 Uiso 1 1 calc R . .
C22 C 0.15506(17) 0.54271(13) 0.17398(13) 0.0186(3) Uani 1 1 d . . .
H22 H 0.2372 0.5343 0.1671 0.022 Uiso 1 1 calc R . .
C23 C -0.1315(2) 0.63483(16) 0.07563(15) 0.0305(5) Uani 1 1 d . . .
H23A H -0.2127 0.5874 0.0372 0.046 Uiso 1 1 calc R . .
H23B H -0.0909 0.6439 0.0322 0.046 Uiso 1 1 calc R . .
H23C H -0.1466 0.7002 0.1211 0.046 Uiso 1 1 calc R . .
N1 N 0.27338(14) 0.24666(12) 0.04862(10) 0.0142(3) Uani 1 1 d . . .
N2 N 0.23547(13) 0.36376(11) 0.21338(10) 0.0147(3) Uani 1 1 d . . .
S1 S 0.21396(4) 0.46454(3) 0.29748(3) 0.01559(8) Uani 1 1 d . . .
O1 O 0.14548(13) 0.44562(10) 0.35485(9) 0.0222(3) Uani 1 1 d . . .
O2 O 0.33496(12) 0.53296(9) 0.35075(9) 0.0208(3) Uani 1 1 d . . .
Cl1 Cl 0.45912(4) 0.44559(3) 0.14518(3) 0.02081(9) Uani 1 1 d . . .
Rh1 Rh 0.411706(12) 0.320084(9) 0.190634(9) 0.01103(4) Uani 1 1 d . . .
C24 C 0.35152(16) 0.77509(13) 0.31072(13) 0.0172(3) Uani 1 1 d . . .
C25 C 0.45944(16) 0.72851(13) 0.29089(13) 0.0167(3) Uani 1 1 d . . .
C26 C 0.46952(17) 0.72173(13) 0.20217(13) 0.0184(3) Uani 1 1 d . . .
C27 C 0.36790(18) 0.76392(14) 0.16660(13) 0.0197(4) Uani 1 1 d . . .
C28 C 0.29515(17) 0.79567(14) 0.23310(13) 0.0197(4) Uani 1 1 d . . .
C29 C 0.30092(19) 0.78818(14) 0.39193(14) 0.0226(4) Uani 1 1 d . . .
H29A H 0.2531 0.8435 0.4068 0.034 Uiso 1 1 calc R . .
H29B H 0.3718 0.8042 0.4496 0.034 Uiso 1 1 calc R . .
H29C H 0.2447 0.7254 0.3726 0.034 Uiso 1 1 calc R . .
C30 C 0.54481(18) 0.69394(14) 0.35275(14) 0.0221(4) Uani 1 1 d . . .
H30A H 0.5082 0.6249 0.3348 0.033 Uiso 1 1 calc R . .
H30B H 0.5537 0.7394 0.4212 0.033 Uiso 1 1 calc R . .
H30C H 0.6286 0.6949 0.3427 0.033 Uiso 1 1 calc R . .
C31 C 0.5670(2) 0.67804(15) 0.15357(15) 0.0267(4) Uani 1 1 d . . .
H31A H 0.6472 0.6901 0.2029 0.040 Uiso 1 1 calc R . .
H31B H 0.5803 0.7103 0.1155 0.040 Uiso 1 1 calc R . .
H31C H 0.5373 0.6050 0.1105 0.040 Uiso 1 1 calc R . .
C32 C 0.3384(2) 0.76585(17) 0.07249(14) 0.0310(5) Uani 1 1 d . . .
H32A H 0.2735 0.7067 0.0223 0.046 Uiso 1 1 calc R . .
H32B H 0.4157 0.7644 0.0531 0.046 Uiso 1 1 calc R . .
H32C H 0.3067 0.8278 0.0805 0.046 Uiso 1 1 calc R . .
C33 C 0.18145(18) 0.84465(16) 0.22449(16) 0.0291(4) Uani 1 1 d . . .
H33A H 0.1812 0.8727 0.1807 0.044 Uiso 1 1 calc R . .
H33B H 0.1851 0.8992 0.2887 0.044 Uiso 1 1 calc R . .
H33C H 0.1038 0.7941 0.1984 0.044 Uiso 1 1 calc R . .
C34 C 0.75147(16) 0.91711(13) 0.42730(13) 0.0169(3) Uani 1 1 d . . .
C35 C 0.84202(18) 0.89633(15) 0.48839(15) 0.0253(4) Uani 1 1 d . . .
H35 H 0.8300 0.9017 0.5463 0.030 Uiso 1 1 calc R . .
C36 C 0.9506(2) 0.86752(18) 0.46387(18) 0.0349(5) Uani 1 1 d . . .
H36 H 1.0140 0.8528 0.5047 0.042 Uiso 1 1 calc R . .
C37 C 0.9658(2) 0.86047(18) 0.37923(18) 0.0353(5) Uani 1 1 d . . .
H37 H 1.0399 0.8401 0.3624 0.042 Uiso 1 1 calc R . .
C38 C 0.87557(18) 0.88239(16) 0.31817(15) 0.0258(4) Uani 1 1 d . . .
H38 H 0.8893 0.8788 0.2614 0.031 Uiso 1 1 calc R . .
C39 C 0.76506(16) 0.90956(13) 0.34099(13) 0.0173(3) Uani 1 1 d . . .
C40 C 0.77106(17) 1.08843(13) 0.28898(13) 0.0181(3) Uani 1 1 d . . .
C41 C 0.73034(18) 1.16230(14) 0.36118(13) 0.0201(4) Uani 1 1 d . . .
H41 H 0.6489 1.1489 0.3669 0.024 Uiso 1 1 calc R . .
C42 C 0.80980(19) 1.25564(14) 0.42461(14) 0.0225(4) Uani 1 1 d . . .
H42 H 0.7815 1.3062 0.4733 0.027 Uiso 1 1 calc R . .
C43 C 0.9301(2) 1.27668(14) 0.41833(14) 0.0233(4) Uani 1 1 d . . .
C44 C 0.9672(2) 1.20258(15) 0.34381(15) 0.0274(4) Uani 1 1 d . . .
H44 H 1.0476 1.2165 0.3368 0.033 Uiso 1 1 calc R . .
C45 C 0.88882(19) 1.10858(15) 0.27952(14) 0.0250(4) Uani 1 1 d . . .
H45 H 0.9159 1.0586 0.2295 0.030 Uiso 1 1 calc R . .
C46 C 1.0209(2) 1.37481(15) 0.49217(15) 0.0318(5) Uani 1 1 d . . .
H46A H 0.9731 1.4260 0.5244 0.048 Uiso 1 1 calc R . .
H46B H 1.0673 1.3981 0.4594 0.048 Uiso 1 1 calc R . .
H46C H 1.0813 1.3640 0.5406 0.048 Uiso 1 1 calc R . .
N3 N 0.63323(15) 0.94484(12) 0.44532(11) 0.0168(3) Uani 1 1 d . . .
N4 N 0.65748(13) 0.92452(11) 0.28390(10) 0.0151(3) Uani 1 1 d . . .
S2 S 0.67132(4) 0.96715(3) 0.21309(3) 0.01675(8) Uani 1 1 d . . .
O3 O 0.73814(13) 0.90840(10) 0.14560(9) 0.0240(3) Uani 1 1 d . . .
O4 O 0.54758(13) 0.97907(10) 0.16999(9) 0.0230(3) Uani 1 1 d . . .
Cl2 Cl 0.43173(4) 1.04350(3) 0.36616(3) 0.01827(8) Uani 1 1 d . . .
Rh2 Rh 0.488837(12) 0.877403(9) 0.307806(9) 0.01266(4) Uani 1 1 d . . .
H1A H 0.272(2) 0.2948(17) 0.0389(15) 0.016(5) Uiso 1 1 d . . .
H3A H 0.638(2) 1.0061(19) 0.4636(17) 0.025(6) Uiso 1 1 d . . .
H1B H 0.291(2) 0.1963(18) 0.0045(17) 0.025(6) Uiso 1 1 d . . .
H3B H 0.615(2) 0.9318(18) 0.4860(18) 0.032(7) Uiso 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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 107.46(15) . . ?
C5 C1 C6 125.84(16) . . ?
C2 C1 C6 126.55(17) . . ?
C5 C1 Rh1 70.75(9) . . ?
C2 C1 Rh1 70.98(9) . . ?
C6 C1 Rh1 126.97(12) . . ?
C3 C2 C1 108.49(15) . . ?
C3 C2 C7 126.79(16) . . ?
C1 C2 C7 124.72(16) . . ?
C3 C2 Rh1 69.93(9) . . ?
C1 C2 Rh1 69.94(9) . . ?
C7 C2 Rh1 126.43(13) . . ?
C2 C3 C4 107.97(14) . . ?
C2 C3 C8 126.35(16) . . ?
C4 C3 C8 125.67(15) . . ?
C2 C3 Rh1 71.40(9) . . ?
C4 C3 Rh1 69.36(9) . . ?
C8 C3 Rh1 125.87(12) . . ?
C5 C4 C3 107.46(15) . . ?
C5 C4 C9 126.08(16) . . ?
C3 C4 C9 126.46(15) . . ?
C5 C4 Rh1 71.69(9) . . ?
C3 C4 Rh1 70.80(9) . . ?
C9 C4 Rh1 123.52(12) . . ?
C4 C5 C1 108.53(15) . . ?
C4 C5 C10 125.63(17) . . ?
C1 C5 C10 125.84(16) . . ?
C4 C5 Rh1 69.22(9) . . ?
C1 C5 Rh1 70.17(9) . . ?
C10 C5 Rh1 126.48(12) . . ?
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 . . ?
C12 C11 C16 122.04(16) . . ?
C12 C11 N1 122.71(16) . . ?
C16 C11 N1 115.19(15) . . ?
C11 C12 C13 119.43(17) . . ?
C11 C12 H12 120.3 . . ?
C13 C12 H12 120.3 . . ?
C14 C13 C12 119.43(17) . . ?
C14 C13 H13 120.3 . . ?
C12 C13 H13 120.3 . . ?
C13 C14 C15 121.26(17) . . ?
C13 C14 H14 119.4 . . ?
C15 C14 H14 119.4 . . ?
C14 C15 C16 120.18(17) . . ?
C14 C15 H15 119.9 . . ?
C16 C15 H15 119.9 . . ?
C15 C16 C11 117.62(16) . . ?
C15 C16 N2 127.98(16) . . ?
C11 C16 N2 114.35(15) . . ?
C18 C17 C22 120.72(16) . . ?
C18 C17 S1 120.51(14) . . ?
C22 C17 S1 118.72(13) . . ?
C17 C18 C19 119.38(18) . . ?
C17 C18 H18 120.3 . . ?
C19 C18 H18 120.3 . . ?
C20 C19 C18 121.03(18) . . ?
C20 C19 H19 119.5 . . ?
C18 C19 H19 119.5 . . ?
C19 C20 C21 118.37(17) . . ?
C19 C20 C23 120.82(18) . . ?
C21 C20 C23 120.81(18) . . ?
C22 C21 C20 121.46(18) . . ?
C22 C21 H21 119.3 . . ?
C20 C21 H21 119.3 . . ?
C21 C22 C17 119.04(17) . . ?
C21 C22 H22 120.5 . . ?
C17 C22 H22 120.5 . . ?
C20 C23 H23A 109.5 . . ?
C20 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C20 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C11 N1 Rh1 108.74(10) . . ?
C11 N1 H1A 109.0(15) . . ?
Rh1 N1 H1A 98.2(15) . . ?
C11 N1 H1B 111.0(16) . . ?
Rh1 N1 H1B 116.8(15) . . ?
H1A N1 H1B 112(2) . . ?
C16 N2 S1 120.21(11) . . ?
C16 N2 Rh1 110.93(10) . . ?
S1 N2 Rh1 128.64(8) . . ?
O2 S1 O1 116.14(8) . . ?
O2 S1 N2 107.74(8) . . ?
O1 S1 N2 113.29(8) . . ?
O2 S1 C17 108.32(8) . . ?
O1 S1 C17 106.11(8) . . ?
N2 S1 C17 104.50(8) . . ?
C4 Rh1 C3 39.84(6) . . ?
C4 Rh1 C1 66.15(6) . . ?
C3 Rh1 C1 65.67(6) . . ?
C4 Rh1 N2 108.66(6) . . ?
C3 Rh1 N2 147.87(6) . . ?
C1 Rh1 N2 113.30(6) . . ?
C4 Rh1 N1 99.90(6) . . ?
C3 Rh1 N1 101.00(6) . . ?
C1 Rh1 N1 165.36(6) . . ?
N2 Rh1 N1 74.39(6) . . ?
C4 Rh1 C5 39.09(6) . . ?
C3 Rh1 C5 65.53(6) . . ?
C1 Rh1 C5 39.08(7) . . ?
N2 Rh1 C5 93.19(6) . . ?
N1 Rh1 C5 131.28(6) . . ?
C4 Rh1 C2 65.82(6) . . ?
C3 Rh1 C2 38.67(6) . . ?
C1 Rh1 C2 39.08(6) . . ?
N2 Rh1 C2 152.36(6) . . ?
N1 Rh1 C2 132.58(6) . . ?
C5 Rh1 C2 65.09(7) . . ?
C4 Rh1 Cl1 156.96(5) . . ?
C3 Rh1 Cl1 117.12(5) . . ?
C1 Rh1 Cl1 107.88(5) . . ?
N2 Rh1 Cl1 94.20(4) . . ?
N1 Rh1 Cl1 83.17(4) . . ?
C5 Rh1 Cl1 145.42(5) . . ?
C2 Rh1 Cl1 95.17(5) . . ?
C28 C24 C25 107.75(15) . . ?
C28 C24 C29 126.76(17) . . ?
C25 C24 C29 125.18(16) . . ?
C28 C24 Rh2 71.25(10) . . ?
C25 C24 Rh2 70.20(10) . . ?
C29 C24 Rh2 129.04(13) . . ?
C26 C25 C24 107.90(15) . . ?
C26 C25 C30 126.47(16) . . ?
C24 C25 C30 125.63(16) . . ?
C26 C25 Rh2 70.79(10) . . ?
C24 C25 Rh2 70.29(10) . . ?
C30 C25 Rh2 124.43(12) . . ?
C25 C26 C27 108.07(15) . . ?
C25 C26 C31 126.41(17) . . ?
C27 C26 C31 125.52(17) . . ?
C25 C26 Rh2 70.17(10) . . ?
C27 C26 Rh2 70.72(10) . . ?
C31 C26 Rh2 125.12(13) . . ?
C28 C27 C26 107.90(15) . . ?
C28 C27 C32 126.25(18) . . ?
C26 C27 C32 125.68(18) . . ?
C28 C27 Rh2 70.83(10) . . ?
C26 C27 Rh2 70.00(10) . . ?
C32 C27 Rh2 128.44(13) . . ?
C27 C28 C24 108.38(16) . . ?
C27 C28 C33 125.65(17) . . ?
C24 C28 C33 125.95(17) . . ?
C27 C28 Rh2 70.51(10) . . ?
C24 C28 Rh2 69.69(10) . . ?
C33 C28 Rh2 124.36(13) . . ?
C24 C29 H29A 109.5 . . ?
C24 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C24 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C25 C30 H30A 109.5 . . ?
C25 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C25 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C26 C31 H31A 109.5 . . ?
C26 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C26 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C27 C32 H32A 109.5 . . ?
C27 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C27 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C28 C33 H33A 109.5 . . ?
C28 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C28 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C35 C34 C39 122.37(17) . . ?
C35 C34 N3 122.95(17) . . ?
C39 C34 N3 114.65(15) . . ?
C34 C35 C36 118.97(19) . . ?
C34 C35 H35 120.5 . . ?
C36 C35 H35 120.5 . . ?
C37 C36 C35 119.29(19) . . ?
C37 C36 H36 120.4 . . ?
C35 C36 H36 120.4 . . ?
C36 C37 C38 121.92(19) . . ?
C36 C37 H37 119.0 . . ?
C38 C37 H37 119.0 . . ?
C37 C38 C39 119.36(19) . . ?
C37 C38 H38 120.3 . . ?
C39 C38 H38 120.3 . . ?
C38 C39 C34 118.07(17) . . ?
C38 C39 N4 127.77(17) . . ?
C34 C39 N4 114.01(15) . . ?
C45 C40 C41 120.30(17) . . ?
C45 C40 S2 121.16(14) . . ?
C41 C40 S2 118.50(14) . . ?
C42 C41 C40 119.40(17) . . ?
C42 C41 H41 120.3 . . ?
C40 C41 H41 120.3 . . ?
C41 C42 C43 121.36(17) . . ?
C41 C42 H42 119.3 . . ?
C43 C42 H42 119.3 . . ?
C42 C43 C44 118.14(18) . . ?
C42 C43 C46 121.49(18) . . ?
C44 C43 C46 120.31(19) . . ?
C45 C44 C43 121.25(18) . . ?
C45 C44 H44 119.4 . . ?
C43 C44 H44 119.4 . . ?
C40 C45 C44 119.49(18) . . ?
C40 C45 H45 120.3 . . ?
C44 C45 H45 120.3 . . ?
C43 C46 H46A 109.5 . . ?
C43 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C43 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C34 N3 Rh2 107.45(11) . . ?
C34 N3 H3A 108.4(16) . . ?
Rh2 N3 H3A 102.4(16) . . ?
C34 N3 H3B 114.2(17) . . ?
Rh2 N3 H3B 113.8(17) . . ?
H3A N3 H3B 110(2) . . ?
C39 N4 S2 121.01(12) . . ?
C39 N4 Rh2 109.57(11) . . ?
S2 N4 Rh2 129.40(8) . . ?
O4 S2 O3 115.79(8) . . ?
O4 S2 N4 107.69(8) . . ?
O3 S2 N4 112.80(8) . . ?
O4 S2 C40 109.04(8) . . ?
O3 S2 C40 105.48(8) . . ?
N4 S2 C40 105.50(8) . . ?
N3 Rh2 C25 96.48(6) . . ?
N3 Rh2 C24 106.72(7) . . ?
C25 Rh2 C24 39.51(7) . . ?
N3 Rh2 C26 121.20(7) . . ?
C25 Rh2 C26 39.04(7) . . ?
C24 Rh2 C26 65.75(7) . . ?
N3 Rh2 N4 74.10(6) . . ?
C25 Rh2 N4 117.23(6) . . ?
C24 Rh2 N4 156.55(6) . . ?
C26 Rh2 N4 93.37(6) . . ?
N3 Rh2 C27 160.23(7) . . ?
C25 Rh2 C27 65.68(7) . . ?
C24 Rh2 C27 65.52(7) . . ?
C26 Rh2 C27 39.27(7) . . ?
N4 Rh2 C27 105.58(6) . . ?
N3 Rh2 C28 143.07(7) . . ?
C25 Rh2 C28 65.61(7) . . ?
C24 Rh2 C28 39.06(7) . . ?
C26 Rh2 C28 65.32(7) . . ?
N4 Rh2 C28 142.51(6) . . ?
C27 Rh2 C28 38.66(7) . . ?
N3 Rh2 Cl2 84.80(4) . . ?
C25 Rh2 Cl2 148.40(5) . . ?
C24 Rh2 Cl2 109.86(5) . . ?
C26 Rh2 Cl2 154.00(5) . . ?
N4 Rh2 Cl2 93.58(4) . . ?
C27 Rh2 Cl2 114.80(5) . . ?
C28 Rh2 Cl2 94.74(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 1.439(2) . ?
C1 C2 1.441(2) . ?
C1 C6 1.496(2) . ?
C1 Rh1 2.1468(17) . ?
C2 C3 1.424(2) . ?
C2 C7 1.491(2) . ?
C2 Rh1 2.1607(17) . ?
C3 C4 1.452(2) . ?
C3 C8 1.493(2) . ?
C3 Rh1 2.1413(16) . ?
C4 C5 1.431(2) . ?
C4 C9 1.499(2) . ?
C4 Rh1 2.1219(16) . ?
C5 C10 1.492(2) . ?
C5 Rh1 2.1546(16) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.379(2) . ?
C11 C16 1.407(2) . ?
C11 N1 1.446(2) . ?
C12 C13 1.393(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.381(3) . ?
C13 H13 0.9500 . ?
C14 C15 1.391(3) . ?
C14 H14 0.9500 . ?
C15 C16 1.397(2) . ?
C15 H15 0.9500 . ?
C16 N2 1.409(2) . ?
C17 C18 1.389(3) . ?
C17 C22 1.389(2) . ?
C17 S1 1.7766(17) . ?
C18 C19 1.391(3) . ?
C18 H18 0.9500 . ?
C19 C20 1.390(3) . ?
C19 H19 0.9500 . ?
C20 C21 1.397(3) . ?
C20 C23 1.508(3) . ?
C21 C22 1.386(2) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
N1 Rh1 2.1535(14) . ?
N1 H1A 0.81(2) . ?
N1 H1B 0.85(2) . ?
N2 S1 1.5936(14) . ?
N2 Rh1 2.1528(14) . ?
S1 O2 1.4426(13) . ?
S1 O1 1.4491(13) . ?
Cl1 Rh1 2.4098(5) . ?
C24 C28 1.438(2) . ?
C24 C25 1.446(2) . ?
C24 C29 1.495(2) . ?
C24 Rh2 2.1397(17) . ?
C25 C26 1.432(2) . ?
C25 C30 1.495(2) . ?
C25 Rh2 2.1385(17) . ?
C26 C27 1.446(3) . ?
C26 C31 1.496(3) . ?
C26 Rh2 2.1466(17) . ?
C27 C28 1.429(3) . ?
C27 C32 1.498(2) . ?
C27 Rh2 2.1562(18) . ?
C28 C33 1.500(3) . ?
C28 Rh2 2.1605(18) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 C35 1.383(2) . ?
C34 C39 1.402(2) . ?
C34 N3 1.450(2) . ?
C35 C36 1.387(3) . ?
C35 H35 0.9500 . ?
C36 C37 1.384(3) . ?
C36 H36 0.9500 . ?
C37 C38 1.390(3) . ?
C37 H37 0.9500 . ?
C38 C39 1.391(3) . ?
C38 H38 0.9500 . ?
C39 N4 1.414(2) . ?
C40 C45 1.385(3) . ?
C40 C41 1.393(2) . ?
C40 S2 1.7775(18) . ?
C41 C42 1.388(3) . ?
C41 H41 0.9500 . ?
C42 C43 1.392(3) . ?
C42 H42 0.9500 . ?
C43 C44 1.394(3) . ?
C43 C46 1.509(3) . ?
C44 C45 1.391(3) . ?
C44 H44 0.9500 . ?
C45 H45 0.9500 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
N3 Rh2 2.1377(15) . ?
N3 H3A 0.83(2) . ?
N3 H3B 0.84(3) . ?
N4 S2 1.5883(14) . ?
N4 Rh2 2.1502(14) . ?
S2 O4 1.4355(14) . ?
S2 O3 1.4542(13) . ?
Cl2 Rh2 2.4259(5) . ?
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 H1B O3 0.85(2) 2.14(2) 2.9121(19) 151(2) 2_665
N3 H3B Cl2 0.84(3) 2.45(3) 3.2488(16) 160(2) 2_676
N1 H1A Cl1 0.81(3) 2.57(2) 3.0350(19) 117(2) .
N3 H3A Cl2 0.83(3) 2.68(3) 3.0844(19) 112(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
C5 C1 C2 C3 2.19(19) . . . . ?
C6 C1 C2 C3 178.04(16) . . . . ?
Rh1 C1 C2 C3 -59.52(11) . . . . ?
C5 C1 C2 C7 -177.22(16) . . . . ?
C6 C1 C2 C7 -1.4(3) . . . . ?
Rh1 C1 C2 C7 121.08(17) . . . . ?
C5 C1 C2 Rh1 61.70(11) . . . . ?
C6 C1 C2 Rh1 -122.44(18) . . . . ?
C1 C2 C3 C4 -0.46(18) . . . . ?
C7 C2 C3 C4 178.93(16) . . . . ?
Rh1 C2 C3 C4 -59.99(11) . . . . ?
C1 C2 C3 C8 -179.15(15) . . . . ?
C7 C2 C3 C8 0.2(3) . . . . ?
Rh1 C2 C3 C8 121.33(17) . . . . ?
C1 C2 C3 Rh1 59.53(11) . . . . ?
C7 C2 C3 Rh1 -121.08(18) . . . . ?
C2 C3 C4 C5 -1.44(18) . . . . ?
C8 C3 C4 C5 177.25(15) . . . . ?
Rh1 C3 C4 C5 -62.73(11) . . . . ?
C2 C3 C4 C9 179.30(16) . . . . ?
C8 C3 C4 C9 -2.0(3) . . . . ?
Rh1 C3 C4 C9 118.02(17) . . . . ?
C2 C3 C4 Rh1 61.28(11) . . . . ?
C8 C3 C4 Rh1 -120.02(16) . . . . ?
C3 C4 C5 C1 2.81(18) . . . . ?
C9 C4 C5 C1 -177.93(15) . . . . ?
Rh1 C4 C5 C1 -59.34(11) . . . . ?
C3 C4 C5 C10 -177.16(16) . . . . ?
C9 C4 C5 C10 2.1(3) . . . . ?
Rh1 C4 C5 C10 120.69(17) . . . . ?
C3 C4 C5 Rh1 62.15(11) . . . . ?
C9 C4 C5 Rh1 -118.59(17) . . . . ?
C2 C1 C5 C4 -3.10(19) . . . . ?
C6 C1 C5 C4 -178.99(16) . . . . ?
Rh1 C1 C5 C4 58.76(11) . . . . ?
C2 C1 C5 C10 176.87(16) . . . . ?
C6 C1 C5 C10 1.0(3) . . . . ?
Rh1 C1 C5 C10 -121.27(17) . . . . ?
C2 C1 C5 Rh1 -61.85(11) . . . . ?
C6 C1 C5 Rh1 122.25(17) . . . . ?
C16 C11 C12 C13 0.9(3) . . . . ?
N1 C11 C12 C13 177.96(16) . . . . ?
C11 C12 C13 C14 0.6(3) . . . . ?
C12 C13 C14 C15 -0.6(3) . . . . ?
C13 C14 C15 C16 -0.8(3) . . . . ?
C14 C15 C16 C11 2.2(3) . . . . ?
C14 C15 C16 N2 -174.98(17) . . . . ?
C12 C11 C16 C15 -2.3(2) . . . . ?
N1 C11 C16 C15 -179.52(15) . . . . ?
C12 C11 C16 N2 175.25(15) . . . . ?
N1 C11 C16 N2 -2.0(2) . . . . ?
C22 C17 C18 C19 -0.5(3) . . . . ?
S1 C17 C18 C19 -178.18(15) . . . . ?
C17 C18 C19 C20 0.3(3) . . . . ?
C18 C19 C20 C21 -0.1(3) . . . . ?
C18 C19 C20 C23 179.95(19) . . . . ?
C19 C20 C21 C22 0.3(3) . . . . ?
C23 C20 C21 C22 -179.82(18) . . . . ?
C20 C21 C22 C17 -0.5(3) . . . . ?
C18 C17 C22 C21 0.6(3) . . . . ?
S1 C17 C22 C21 178.35(14) . . . . ?
C12 C11 N1 Rh1 -146.90(14) . . . . ?
C16 C11 N1 Rh1 30.33(17) . . . . ?
C15 C16 N2 S1 -25.7(2) . . . . ?
C11 C16 N2 S1 157.06(12) . . . . ?
C15 C16 N2 Rh1 149.48(15) . . . . ?
C11 C16 N2 Rh1 -27.74(17) . . . . ?
C16 N2 S1 O2 -176.68(12) . . . . ?
Rh1 N2 S1 O2 9.06(13) . . . . ?
C16 N2 S1 O1 53.44(15) . . . . ?
Rh1 N2 S1 O1 -120.83(10) . . . . ?
C16 N2 S1 C17 -61.61(15) . . . . ?
Rh1 N2 S1 C17 124.12(10) . . . . ?
C18 C17 S1 O2 -127.73(15) . . . . ?
C22 C17 S1 O2 54.56(16) . . . . ?
C18 C17 S1 O1 -2.37(17) . . . . ?
C22 C17 S1 O1 179.91(14) . . . . ?
C18 C17 S1 N2 117.62(15) . . . . ?
C22 C17 S1 N2 -60.10(15) . . . . ?
C5 C4 Rh1 C3 116.73(14) . . . . ?
C9 C4 Rh1 C3 -121.61(18) . . . . ?
C5 C4 Rh1 C1 36.71(10) . . . . ?
C3 C4 Rh1 C1 -80.03(10) . . . . ?
C9 C4 Rh1 C1 158.36(16) . . . . ?
C5 C4 Rh1 N2 -71.19(11) . . . . ?
C3 C4 Rh1 N2 172.08(9) . . . . ?
C9 C4 Rh1 N2 50.47(15) . . . . ?
C5 C4 Rh1 N1 -147.92(10) . . . . ?
C3 C4 Rh1 N1 95.35(10) . . . . ?
C9 C4 Rh1 N1 -26.27(15) . . . . ?
C3 C4 Rh1 C5 -116.73(14) . . . . ?
C9 C4 Rh1 C5 121.65(19) . . . . ?
C5 C4 Rh1 C2 79.66(11) . . . . ?
C3 C4 Rh1 C2 -37.07(9) . . . . ?
C9 C4 Rh1 C2 -158.69(16) . . . . ?
C5 C4 Rh1 Cl1 116.23(13) . . . . ?
C3 C4 Rh1 Cl1 -0.50(18) . . . . ?
C9 C4 Rh1 Cl1 -122.11(14) . . . . ?
C2 C3 Rh1 C4 -118.34(14) . . . . ?
C8 C3 Rh1 C4 119.77(19) . . . . ?
C2 C3 Rh1 C1 -37.01(10) . . . . ?
C4 C3 Rh1 C1 81.33(10) . . . . ?
C8 C3 Rh1 C1 -158.90(17) . . . . ?
C2 C3 Rh1 N2 -132.54(12) . . . . ?
C4 C3 Rh1 N2 -14.20(16) . . . . ?
C8 C3 Rh1 N2 105.57(16) . . . . ?
C2 C3 Rh1 N1 149.35(10) . . . . ?
C4 C3 Rh1 N1 -92.31(10) . . . . ?
C8 C3 Rh1 N1 27.46(16) . . . . ?
C2 C3 Rh1 C5 -80.11(11) . . . . ?
C4 C3 Rh1 C5 38.23(10) . . . . ?
C8 C3 Rh1 C5 158.00(17) . . . . ?
C4 C3 Rh1 C2 118.34(14) . . . . ?
C8 C3 Rh1 C2 -121.89(19) . . . . ?
C2 C3 Rh1 Cl1 61.44(10) . . . . ?
C4 C3 Rh1 Cl1 179.78(8) . . . . ?
C8 C3 Rh1 Cl1 -60.45(16) . . . . ?
C5 C1 Rh1 C4 -36.71(10) . . . . ?
C2 C1 Rh1 C4 80.45(10) . . . . ?
C6 C1 Rh1 C4 -157.61(18) . . . . ?
C5 C1 Rh1 C3 -80.53(10) . . . . ?
C2 C1 Rh1 C3 36.63(10) . . . . ?
C6 C1 Rh1 C3 158.57(18) . . . . ?
C5 C1 Rh1 N2 64.27(11) . . . . ?
C2 C1 Rh1 N2 -178.56(9) . . . . ?
C6 C1 Rh1 N2 -56.63(18) . . . . ?
C5 C1 Rh1 N1 -55.0(3) . . . . ?
C2 C1 Rh1 N1 62.1(3) . . . . ?
C6 C1 Rh1 N1 -175.9(2) . . . . ?
C2 C1 Rh1 C5 117.17(14) . . . . ?
C6 C1 Rh1 C5 -120.9(2) . . . . ?
C5 C1 Rh1 C2 -117.17(14) . . . . ?
C6 C1 Rh1 C2 121.9(2) . . . . ?
C5 C1 Rh1 Cl1 167.14(8) . . . . ?
C2 C1 Rh1 Cl1 -75.69(10) . . . . ?
C6 C1 Rh1 Cl1 46.25(17) . . . . ?
C16 N2 Rh1 C4 -61.77(12) . . . . ?
S1 N2 Rh1 C4 112.93(11) . . . . ?
C16 N2 Rh1 C3 -52.22(17) . . . . ?
S1 N2 Rh1 C3 122.48(12) . . . . ?
C16 N2 Rh1 C1 -133.15(11) . . . . ?
S1 N2 Rh1 C1 41.54(12) . . . . ?
C16 N2 Rh1 N1 33.62(11) . . . . ?
S1 N2 Rh1 N1 -151.68(12) . . . . ?
C16 N2 Rh1 C5 -98.48(12) . . . . ?
S1 N2 Rh1 C5 76.21(11) . . . . ?
C16 N2 Rh1 C2 -135.10(13) . . . . ?
S1 N2 Rh1 C2 39.59(19) . . . . ?
C16 N2 Rh1 Cl1 115.33(11) . . . . ?
S1 N2 Rh1 Cl1 -69.98(10) . . . . ?
C11 N1 Rh1 C4 73.24(12) . . . . ?
C11 N1 Rh1 C3 113.76(11) . . . . ?
C11 N1 Rh1 C1 90.2(3) . . . . ?
C11 N1 Rh1 N2 -33.53(11) . . . . ?
C11 N1 Rh1 C5 46.78(14) . . . . ?
C11 N1 Rh1 C2 139.40(11) . . . . ?
C11 N1 Rh1 Cl1 -129.85(11) . . . . ?
C1 C5 Rh1 C4 119.88(14) . . . . ?
C10 C5 Rh1 C4 -119.6(2) . . . . ?
C4 C5 Rh1 C3 -38.95(10) . . . . ?
C1 C5 Rh1 C3 80.93(10) . . . . ?
C10 C5 Rh1 C3 -158.58(18) . . . . ?
C4 C5 Rh1 C1 -119.88(14) . . . . ?
C10 C5 Rh1 C1 120.5(2) . . . . ?
C4 C5 Rh1 N2 116.08(10) . . . . ?
C1 C5 Rh1 N2 -124.04(10) . . . . ?
C10 C5 Rh1 N2 -3.55(16) . . . . ?
C4 C5 Rh1 N1 44.12(13) . . . . ?
C1 C5 Rh1 N1 164.00(9) . . . . ?
C10 C5 Rh1 N1 -75.51(18) . . . . ?
C4 C5 Rh1 C2 -81.69(10) . . . . ?
C1 C5 Rh1 C2 38.19(10) . . . . ?
C10 C5 Rh1 C2 158.68(18) . . . . ?
C4 C5 Rh1 Cl1 -141.78(9) . . . . ?
C1 C5 Rh1 Cl1 -21.90(14) . . . . ?
C10 C5 Rh1 Cl1 98.59(17) . . . . ?
C3 C2 Rh1 C4 38.17(10) . . . . ?
C1 C2 Rh1 C4 -81.35(11) . . . . ?
C7 C2 Rh1 C4 159.69(17) . . . . ?
C1 C2 Rh1 C3 -119.52(14) . . . . ?
C7 C2 Rh1 C3 121.5(2) . . . . ?
C3 C2 Rh1 C1 119.52(14) . . . . ?
C7 C2 Rh1 C1 -119.0(2) . . . . ?
C3 C2 Rh1 N2 122.37(13) . . . . ?
C1 C2 Rh1 N2 2.84(18) . . . . ?
C7 C2 Rh1 N2 -116.11(17) . . . . ?
C3 C2 Rh1 N1 -42.81(13) . . . . ?
C1 C2 Rh1 N1 -162.34(10) . . . . ?
C7 C2 Rh1 N1 78.71(17) . . . . ?
C3 C2 Rh1 C5 81.32(10) . . . . ?
C1 C2 Rh1 C5 -38.20(10) . . . . ?
C7 C2 Rh1 C5 -157.16(18) . . . . ?
C3 C2 Rh1 Cl1 -128.28(9) . . . . ?
C1 C2 Rh1 Cl1 112.19(9) . . . . ?
C7 C2 Rh1 Cl1 -6.76(16) . . . . ?
C28 C24 C25 C26 0.59(19) . . . . ?
C29 C24 C25 C26 174.46(16) . . . . ?
Rh2 C24 C25 C26 -61.12(12) . . . . ?
C28 C24 C25 C30 -179.46(16) . . . . ?
C29 C24 C25 C30 -5.6(3) . . . . ?
Rh2 C24 C25 C30 118.83(17) . . . . ?
C28 C24 C25 Rh2 61.71(12) . . . . ?
C29 C24 C25 Rh2 -124.42(17) . . . . ?
C24 C25 C26 C27 -0.07(19) . . . . ?
C30 C25 C26 C27 179.99(16) . . . . ?
Rh2 C25 C26 C27 -60.87(12) . . . . ?
C24 C25 C26 C31 -179.60(17) . . . . ?
C30 C25 C26 C31 0.5(3) . . . . ?
Rh2 C25 C26 C31 119.60(18) . . . . ?
C24 C25 C26 Rh2 60.80(12) . . . . ?
C30 C25 C26 Rh2 -119.14(17) . . . . ?
C25 C26 C27 C28 -0.5(2) . . . . ?
C31 C26 C27 C28 179.05(17) . . . . ?
Rh2 C26 C27 C28 -61.01(12) . . . . ?
C25 C26 C27 C32 -175.89(17) . . . . ?
C31 C26 C27 C32 3.7(3) . . . . ?
Rh2 C26 C27 C32 123.59(19) . . . . ?
C25 C26 C27 Rh2 60.52(12) . . . . ?
C31 C26 C27 Rh2 -119.94(18) . . . . ?
C26 C27 C28 C24 0.9(2) . . . . ?
C32 C27 C28 C24 176.22(18) . . . . ?
Rh2 C27 C28 C24 -59.63(12) . . . . ?
C26 C27 C28 C33 179.36(17) . . . . ?
C32 C27 C28 C33 -5.3(3) . . . . ?
Rh2 C27 C28 C33 118.87(19) . . . . ?
C26 C27 C28 Rh2 60.48(12) . . . . ?
C32 C27 C28 Rh2 -124.15(19) . . . . ?
C25 C24 C28 C27 -0.9(2) . . . . ?
C29 C24 C28 C27 -174.64(17) . . . . ?
Rh2 C24 C28 C27 60.14(12) . . . . ?
C25 C24 C28 C33 -179.39(17) . . . . ?
C29 C24 C28 C33 6.9(3) . . . . ?
Rh2 C24 C28 C33 -118.36(19) . . . . ?
C25 C24 C28 Rh2 -61.04(12) . . . . ?
C29 C24 C28 Rh2 125.22(18) . . . . ?
C39 C34 C35 C36 0.4(3) . . . . ?
N3 C34 C35 C36 178.12(18) . . . . ?
C34 C35 C36 C37 0.1(3) . . . . ?
C35 C36 C37 C38 0.6(4) . . . . ?
C36 C37 C38 C39 -1.8(3) . . . . ?
C37 C38 C39 C34 2.2(3) . . . . ?
C37 C38 C39 N4 -173.06(19) . . . . ?
C35 C34 C39 C38 -1.5(3) . . . . ?
N3 C34 C39 C38 -179.45(16) . . . . ?
C35 C34 C39 N4 174.36(16) . . . . ?
N3 C34 C39 N4 -3.6(2) . . . . ?
C45 C40 C41 C42 -1.1(3) . . . . ?
S2 C40 C41 C42 176.47(14) . . . . ?
C40 C41 C42 C43 -0.7(3) . . . . ?
C41 C42 C43 C44 2.5(3) . . . . ?
C41 C42 C43 C46 -174.88(18) . . . . ?
C42 C43 C44 C45 -2.5(3) . . . . ?
C46 C43 C44 C45 174.95(19) . . . . ?
C41 C40 C45 C44 1.2(3) . . . . ?
S2 C40 C45 C44 -176.37(15) . . . . ?
C43 C44 C45 C40 0.7(3) . . . . ?
C35 C34 N3 Rh2 -143.44(15) . . . . ?
C39 C34 N3 Rh2 34.47(18) . . . . ?
C38 C39 N4 S2 -32.2(3) . . . . ?
C34 C39 N4 S2 152.42(13) . . . . ?
C38 C39 N4 Rh2 146.15(17) . . . . ?
C34 C39 N4 Rh2 -29.26(18) . . . . ?
C39 N4 S2 O4 -176.81(13) . . . . ?
Rh2 N4 S2 O4 5.25(13) . . . . ?
C39 N4 S2 O3 54.19(16) . . . . ?
Rh2 N4 S2 O3 -123.75(10) . . . . ?
C39 N4 S2 C40 -60.46(15) . . . . ?
Rh2 N4 S2 C40 121.60(11) . . . . ?
C45 C40 S2 O4 -128.05(16) . . . . ?
C41 C40 S2 O4 54.37(16) . . . . ?
C45 C40 S2 O3 -3.08(18) . . . . ?
C41 C40 S2 O3 179.34(14) . . . . ?
C45 C40 S2 N4 116.53(16) . . . . ?
C41 C40 S2 N4 -61.05(16) . . . . ?
C34 N3 Rh2 C25 79.15(12) . . . . ?
C34 N3 Rh2 C24 118.20(12) . . . . ?
C34 N3 Rh2 C26 46.83(14) . . . . ?
C34 N3 Rh2 N4 -37.37(11) . . . . ?
C34 N3 Rh2 C27 54.5(2) . . . . ?
C34 N3 Rh2 C28 136.43(12) . . . . ?
C34 N3 Rh2 Cl2 -132.60(11) . . . . ?
C26 C25 Rh2 N3 -133.44(10) . . . . ?
C24 C25 Rh2 N3 108.49(10) . . . . ?
C30 C25 Rh2 N3 -11.82(16) . . . . ?
C26 C25 Rh2 C24 118.07(15) . . . . ?
C30 C25 Rh2 C24 -120.31(19) . . . . ?
C24 C25 Rh2 C26 -118.07(15) . . . . ?
C30 C25 Rh2 C26 121.6(2) . . . . ?
C26 C25 Rh2 N4 -58.01(12) . . . . ?
C24 C25 Rh2 N4 -176.08(9) . . . . ?
C30 C25 Rh2 N4 63.61(16) . . . . ?
C26 C25 Rh2 C27 37.67(10) . . . . ?
C24 C25 Rh2 C27 -80.40(11) . . . . ?
C30 C25 Rh2 C27 159.29(17) . . . . ?
C26 C25 Rh2 C28 80.28(11) . . . . ?
C24 C25 Rh2 C28 -37.79(10) . . . . ?
C30 C25 Rh2 C28 -158.10(17) . . . . ?
C26 C25 Rh2 Cl2 135.96(10) . . . . ?
C24 C25 Rh2 Cl2 17.89(15) . . . . ?
C30 C25 Rh2 Cl2 -102.43(16) . . . . ?
C28 C24 Rh2 N3 162.64(10) . . . . ?
C25 C24 Rh2 N3 -79.70(11) . . . . ?
C29 C24 Rh2 N3 40.06(18) . . . . ?
C28 C24 Rh2 C25 -117.67(15) . . . . ?
C29 C24 Rh2 C25 119.8(2) . . . . ?
C28 C24 Rh2 C26 -80.11(11) . . . . ?
C25 C24 Rh2 C26 37.55(10) . . . . ?
C29 C24 Rh2 C26 157.31(19) . . . . ?
C28 C24 Rh2 N4 -108.88(16) . . . . ?
C25 C24 Rh2 N4 8.8(2) . . . . ?
C29 C24 Rh2 N4 128.55(17) . . . . ?
C28 C24 Rh2 C27 -36.81(11) . . . . ?
C25 C24 Rh2 C27 80.85(11) . . . . ?
C29 C24 Rh2 C27 -159.39(19) . . . . ?
C25 C24 Rh2 C28 117.67(15) . . . . ?
C29 C24 Rh2 C28 -122.6(2) . . . . ?
C28 C24 Rh2 Cl2 72.19(10) . . . . ?
C25 C24 Rh2 Cl2 -170.14(8) . . . . ?
C29 C24 Rh2 Cl2 -50.39(17) . . . . ?
C25 C26 Rh2 N3 57.51(12) . . . . ?
C27 C26 Rh2 N3 175.89(10) . . . . ?
C31 C26 Rh2 N3 -63.68(18) . . . . ?
C27 C26 Rh2 C25 118.38(15) . . . . ?
C31 C26 Rh2 C25 -121.2(2) . . . . ?
C25 C26 Rh2 C24 -38.00(10) . . . . ?
C27 C26 Rh2 C24 80.38(11) . . . . ?
C31 C26 Rh2 C24 -159.19(18) . . . . ?
C25 C26 Rh2 N4 130.94(10) . . . . ?
C27 C26 Rh2 N4 -110.68(10) . . . . ?
C31 C26 Rh2 N4 9.75(16) . . . . ?
C25 C26 Rh2 C27 -118.38(15) . . . . ?
C31 C26 Rh2 C27 120.4(2) . . . . ?
C25 C26 Rh2 C28 -81.09(11) . . . . ?
C27 C26 Rh2 C28 37.29(10) . . . . ?
C31 C26 Rh2 C28 157.72(18) . . . . ?
C25 C26 Rh2 Cl2 -123.79(11) . . . . ?
C27 C26 Rh2 Cl2 -5.41(17) . . . . ?
C31 C26 Rh2 Cl2 115.02(16) . . . . ?
C39 N4 Rh2 N3 36.72(11) . . . . ?
S2 N4 Rh2 N3 -145.15(12) . . . . ?
C39 N4 Rh2 C25 -52.45(13) . . . . ?
S2 N4 Rh2 C25 125.68(11) . . . . ?
C39 N4 Rh2 C24 -58.7(2) . . . . ?
S2 N4 Rh2 C24 119.40(15) . . . . ?
C39 N4 Rh2 C26 -84.80(12) . . . . ?
S2 N4 Rh2 C26 93.33(11) . . . . ?
C39 N4 Rh2 C27 -122.74(12) . . . . ?
S2 N4 Rh2 C27 55.39(12) . . . . ?
C39 N4 Rh2 C28 -137.16(12) . . . . ?
S2 N4 Rh2 C28 40.97(16) . . . . ?
C39 N4 Rh2 Cl2 120.27(11) . . . . ?
S2 N4 Rh2 Cl2 -61.60(10) . . . . ?
C28 C27 Rh2 N3 107.8(2) . . . . ?
C26 C27 Rh2 N3 -10.4(2) . . . . ?
C32 C27 Rh2 N3 -130.7(2) . . . . ?
C28 C27 Rh2 C25 80.76(11) . . . . ?
C26 C27 Rh2 C25 -37.45(10) . . . . ?
C32 C27 Rh2 C25 -157.7(2) . . . . ?
C28 C27 Rh2 C24 37.19(10) . . . . ?
C26 C27 Rh2 C24 -81.02(11) . . . . ?
C32 C27 Rh2 C24 158.7(2) . . . . ?
C28 C27 Rh2 C26 118.21(15) . . . . ?
C32 C27 Rh2 C26 -120.2(2) . . . . ?
C28 C27 Rh2 N4 -165.96(10) . . . . ?
C26 C27 Rh2 N4 75.84(10) . . . . ?
C32 C27 Rh2 N4 -44.40(19) . . . . ?
C26 C27 Rh2 C28 -118.21(15) . . . . ?
C32 C27 Rh2 C28 121.6(2) . . . . ?
C28 C27 Rh2 Cl2 -64.40(11) . . . . ?
C26 C27 Rh2 Cl2 177.39(8) . . . . ?
C32 C27 Rh2 Cl2 57.15(19) . . . . ?
C27 C28 Rh2 N3 -147.59(11) . . . . ?
C24 C28 Rh2 N3 -28.40(16) . . . . ?
C33 C28 Rh2 N3 91.94(18) . . . . ?
C27 C28 Rh2 C25 -80.97(11) . . . . ?
C24 C28 Rh2 C25 38.22(10) . . . . ?
C33 C28 Rh2 C25 158.57(18) . . . . ?
C27 C28 Rh2 C24 -119.19(15) . . . . ?
C33 C28 Rh2 C24 120.3(2) . . . . ?
C27 C28 Rh2 C26 -37.88(10) . . . . ?
C24 C28 Rh2 C26 81.32(11) . . . . ?
C33 C28 Rh2 C26 -158.34(18) . . . . ?
C27 C28 Rh2 N4 22.59(16) . . . . ?
C24 C28 Rh2 N4 141.78(11) . . . . ?
C33 C28 Rh2 N4 -97.88(18) . . . . ?
C24 C28 Rh2 C27 119.19(15) . . . . ?
C33 C28 Rh2 C27 -120.5(2) . . . . ?
C27 C28 Rh2 Cl2 124.77(10) . . . . ?
C24 C28 Rh2 Cl2 -116.04(10) . . . . ?
C33 C28 Rh2 Cl2 4.31(16) . . . . ?
