# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2024

####################################################################### 
# 
# 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 
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data_231118b_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2345677'
loop_
_audit_author_name
_audit_author_address
'Huijun Feng'
;Shanxi Normal University
China
;
_audit_update_record             
;
2024-04-04 deposited with the CCDC.	2024-06-19 downloaded from the CCDC.
;
_audit_creation_date             2023-11-22
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'2(C54 H52 N6 O8 Rh2), 4(C F3 O3 S), 1[CH3OH], 8[CH3OH]'
_chemical_formula_sum            'C121 H140 F12 N12 O37 Rh4 S4'
_chemical_formula_weight         3122.32
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 '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'
F F 0.0583 0.0400 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -0.0161 2.8414 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.2925 0.4295 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   13.9735(8)
_cell_length_b                   53.355(3)
_cell_length_c                   17.4998(10)
_cell_angle_alpha                90
_cell_angle_beta                 91.981(3)
_cell_angle_gamma                90
_cell_volume                     13039.4(13)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9807
_cell_measurement_temperature    173.00
_cell_measurement_theta_max      54.875
_cell_measurement_theta_min      3.083
_shelx_estimated_absorpt_T_max   0.526
_shelx_estimated_absorpt_T_min   0.404
_exptl_absorpt_coefficient_mu    3.689
_exptl_absorpt_correction_T_max  0.7508
_exptl_absorpt_correction_T_min  0.4981
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1493 before and 0.0674 after correction.
The Ratio of minimum to maximum transmission is 0.6634.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.590
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             6392
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0503
_diffrn_reflns_av_unetI/netI     0.0468
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       64
_diffrn_reflns_limit_k_min       -65
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            87383
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         54.959
_diffrn_reflns_theta_min         2.628
_diffrn_ambient_temperature      173.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34138
_diffrn_source                   ?
_diffrn_source_current           2.86
_diffrn_source_power             0.19994259999999997
_diffrn_source_voltage           69.91
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                19256
_reflns_number_total             24709
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.907
_refine_diff_density_min         -1.725
_refine_diff_density_rms         0.124
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1569
_refine_ls_number_reflns         24709
_refine_ls_number_restraints     1752
_refine_ls_R_factor_all          0.0881
_refine_ls_R_factor_gt           0.0693
_refine_ls_restrained_S_all      1.054
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1013P)²+53.2644P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1839
_refine_ls_wR_factor_ref         0.1988
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 S3-C111
 1.7 with sigma of 0.02
 O3-C55
 2.52 with sigma of 0.02
 S2-C55
 1.7 with sigma of 0.02
 S2-O23 = S2-O11 = S2-O3
 1.4 with sigma of 0.01
 O11-C55
 2.52 with sigma of 0.02
 O23-C55
 2.52 with sigma of 0.02
 F5-C55
 1.32 with sigma of 0.02
 F11-C55
 1.32 with sigma of 0.02
 F2-C55
 1.32 with sigma of 0.02
3. Rigid bond restraints
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 2A
Uanis(F5) \\sim Ueq, Uanis(S2) \\sim Ueq, Uanis(O23) \\sim Ueq, Uanis(O11)
\\sim Ueq, Uanis(O3) \\sim Ueq, Uanis(C55) \\sim Ueq, Uanis(F2) \\sim Ueq,
Uanis(F11) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(O25) \\sim Ueq, Uanis(S3) \\sim Ueq, Uanis(O13) \\sim Ueq, Uanis(O27)
\\sim Ueq, Uanis(C111) \\sim Ueq, Uanis(F3) \\sim Ueq, Uanis(F7) \\sim Ueq,
Uanis(F9) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
5.a Secondary CH2 refined with riding coordinates:
 C45(H45A,H45B), C97(H97A,H97B), C83(H83A,H83B), C101(H10D,H10E)
5.b Aromatic/amide H refined with riding coordinates:
 N9(H9), N11(H11), C9(H9A), C15(H15), C26(H26), C30(H30), C33(H33), C40(H40),
 C50(H50), C54(H54), C61(H61), C63(H63), C75(H75), C81(H81), C89(H89), C91(H91),
  C95(H95), C108(H108), N2(H2), N5(H5), C2(H2A), C21(H21), C35(H35), C37(H37),
 C41(H41), C58(H58), C69(H69), C70(H70), C73(H73), C76(H76), C78(H78), C85(H85),
  C86(H86), C90(H90), C100(H100), C104(H104)
5.c Idealised Me refined as rotating group:
 C11(H11A,H11B,H11C), C13(H13A,H13B,H13C), C47(H47A,H47B,H47C), C53(H53A,H53B,
 H53C), C57(H57A,H57B,H57C), C71(H71A,H71B,H71C), C87(H87A,H87B,H87C), C93(H93A,
 H93B,H93C), C98(H98A,H98B,H98C), C103(H10A,H10B,H10C), C3(H3A,H3B,H3C),
 C23(H23A,H23B,H23C), C25(H25A,H25B,H25C), C27(H27A,H27B,H27C), C43(H43A,H43B,
 H43C), C49(H49A,H49B,H49C), C51(H51A,H51B,H51C), C99(H99A,H99B,H99C),
 C105(H10F,H10G,H10H), C107(H10I,H10J,H10K)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 0.59895(3) 0.55626(2) 0.23158(2) 0.03567(12) Uani 1 1 d . U . . .
Rh4 Rh 0.65888(3) 0.69838(2) 0.75441(2) 0.03794(12) Uani 1 1 d . U . . .
O4 O 0.6474(3) 0.65946(7) 0.7518(2) 0.0417(9) Uani 1 1 d . U . . .
O8 O 0.6477(3) 0.69072(7) 0.6353(2) 0.0372(8) Uani 1 1 d . U . . .
O15 O 0.2154(4) 0.64889(11) 0.7440(3) 0.0661(13) Uani 1 1 d . U . . .
O16 O 0.6193(3) 0.59525(8) 0.2328(2) 0.0469(10) Uani 1 1 d . U . . .
O18 O 0.6400(3) 0.56412(7) 0.3495(2) 0.0399(9) Uani 1 1 d . U . . .
O20 O 0.6400(3) 0.61149(7) 0.7267(2) 0.0428(10) Uani 1 1 d . U . . .
O22 O 0.6179(4) 0.64326(8) 0.2580(2) 0.0533(11) Uani 1 1 d . U . . .
O26 O 0.1184(4) 0.61679(11) 0.3459(3) 0.0644(13) Uani 1 1 d . U . . .
N1 N 0.6448(3) 0.65086(8) 0.6787(2) 0.0324(9) Uani 1 1 d . U . . .
N3 N 0.5068(4) 0.69781(10) 0.7505(3) 0.0483(11) Uani 1 1 d . U . . .
N6 N 0.6298(4) 0.60379(9) 0.3059(3) 0.0383(10) Uani 1 1 d . U . . .
N9 N 0.1626(4) 0.58144(12) 0.4096(3) 0.0524(13) Uani 1 1 d . U . . .
H9 H 0.174480 0.574356 0.454376 0.063 Uiso 1 1 calc R U . . .
N10 N 0.4596(4) 0.56265(10) 0.2715(3) 0.0407(10) Uani 1 1 d . U . . .
N11 N 0.1587(4) 0.68437(14) 0.6936(4) 0.0684(16) Uani 1 1 d . U . . .
H11 H 0.122586 0.691642 0.657803 0.082 Uiso 1 1 calc R U . . .
C5 C 0.3081(5) 0.69912(14) 0.7559(4) 0.0580(15) Uani 1 1 d . U . . .
C6 C 0.6447(3) 0.63193(10) 0.5300(3) 0.0283(10) Uani 1 1 d . U . . .
C7 C 0.2698(5) 0.56504(14) 0.3146(4) 0.0512(14) Uani 1 1 d . U . . .
C8 C 0.6493(4) 0.61496(10) 0.5923(3) 0.0302(10) Uani 1 1 d . U . . .
C9 C 0.3347(5) 0.54844(14) 0.3501(4) 0.0527(15) Uani 1 1 d . U . . .
H9A H 0.314478 0.537545 0.389367 0.063 Uiso 1 1 calc R U . . .
C11 C 0.4527(5) 0.51817(16) 0.1421(5) 0.066(2) Uani 1 1 d . U . . .
H11A H 0.428301 0.511275 0.189548 0.099 Uiso 1 1 calc R U . . .
H11B H 0.450649 0.505207 0.102401 0.099 Uiso 1 1 calc R U . . .
H11C H 0.412999 0.532415 0.125411 0.099 Uiso 1 1 calc R U . . .
C13 C 0.8394(6) 0.67772(14) 0.8582(4) 0.0623(19) Uani 1 1 d . U . . .
H13A H 0.796859 0.666726 0.886345 0.093 Uiso 1 1 calc R U . . .
H13B H 0.892472 0.683224 0.892261 0.093 Uiso 1 1 calc R U . . .
H13C H 0.864851 0.668564 0.814823 0.093 Uiso 1 1 calc R U . . .
C15 C 0.1460(4) 0.62087(14) 0.6182(4) 0.0480(14) Uani 1 1 d . U . . .
H15 H 0.144825 0.612473 0.666076 0.058 Uiso 1 1 calc R U . . .
C16 C 0.6449(4) 0.66771(10) 0.6211(3) 0.0309(10) Uani 1 1 d . U . . .
C17 C 0.1400(4) 0.60585(15) 0.4069(4) 0.0493(14) Uani 1 1 d . U . . .
C18 C 0.6254(4) 0.63033(11) 0.3139(3) 0.0388(12) Uani 1 1 d . U . . .
C19 C 0.1763(5) 0.66019(16) 0.6900(5) 0.0586(16) Uani 1 1 d . U . . .
C22 C 0.6444(4) 0.62429(10) 0.6710(3) 0.0323(11) Uani 1 1 d . U . . .
C24 C 0.6477(4) 0.59672(10) 0.4421(3) 0.0310(10) Uani 1 1 d . U . . .
C26 C 0.6355(4) 0.67452(11) 0.4817(3) 0.0354(11) Uani 1 1 d . U . . .
H26 H 0.634365 0.692090 0.490456 0.042 Uiso 1 1 calc R U . . .
C28 C 0.6434(4) 0.62275(10) 0.4546(3) 0.0300(10) Uani 1 1 d . U . . .
C30 C 0.6555(4) 0.58954(10) 0.5786(3) 0.0320(11) Uani 1 1 d . U . . .
H30 H 0.659627 0.578176 0.620343 0.038 Uiso 1 1 calc R U . . .
C31 C 0.7033(5) 0.71130(12) 0.8650(4) 0.0501(14) Uani 1 1 d . U . . .
C32 C 0.6345(4) 0.63975(10) 0.3925(3) 0.0336(11) Uani 1 1 d . U . . .
C33 C 0.1431(5) 0.64525(14) 0.4798(4) 0.0518(14) Uani 1 1 d . U . . .
H33 H 0.140239 0.653625 0.431913 0.062 Uiso 1 1 calc R U . . .
C34 C 0.6417(4) 0.65814(10) 0.5423(3) 0.0296(10) Uani 1 1 d . U . . .
C40 C 0.6556(4) 0.58030(10) 0.5032(3) 0.0335(11) Uani 1 1 d . U . . .
H40 H 0.661154 0.562800 0.494370 0.040 Uiso 1 1 calc R U . . .
C42 C 0.6400(4) 0.58717(11) 0.3641(3) 0.0342(11) Uani 1 1 d . U . . .
C44 C 0.6975(4) 0.54736(11) 0.1439(3) 0.0373(11) Uani 1 1 d . U . . .
C45 C 0.1996(6) 0.69920(17) 0.7575(5) 0.0714(19) Uani 1 1 d . U . . .
H45A H 0.179003 0.692055 0.806504 0.086 Uiso 1 1 calc R U . . .
H45B H 0.175780 0.716644 0.753831 0.086 Uiso 1 1 calc R U . . .
C47 C 0.8790(5) 0.70915(14) 0.7063(5) 0.0596(18) Uani 1 1 d . U . . .
H47A H 0.890447 0.691112 0.701401 0.089 Uiso 1 1 calc R U . . .
H47B H 0.937932 0.717401 0.725121 0.089 Uiso 1 1 calc R U . . .
H47C H 0.859690 0.716089 0.656266 0.089 Uiso 1 1 calc R U . . .
C48 C 0.7094(4) 0.52988(11) 0.2038(3) 0.0381(11) Uani 1 1 d . U . . .
C50 C 0.6308(4) 0.66507(11) 0.4066(3) 0.0368(12) Uani 1 1 d . U . . .
H50 H 0.625031 0.676400 0.364785 0.044 Uiso 1 1 calc R U . . .
C53 C 0.6662(7) 0.70313(15) 0.9404(4) 0.067(2) Uani 1 1 d . U . . .
H53A H 0.599252 0.708318 0.943996 0.100 Uiso 1 1 calc R U . . .
H53B H 0.704642 0.710881 0.981953 0.100 Uiso 1 1 calc R U . . .
H53C H 0.670575 0.684846 0.944645 0.100 Uiso 1 1 calc R U . . .
C54 C 0.1398(4) 0.60738(14) 0.5521(4) 0.0475(14) Uani 1 1 d . U . . .
H54 H 0.135200 0.589628 0.553977 0.057 Uiso 1 1 calc R U . . .
C56 C 0.5519(5) 0.52655(12) 0.1555(3) 0.0437(12) Uani 1 1 d . U . . .
C57 C 0.7715(5) 0.56481(13) 0.1159(4) 0.0470(15) Uani 1 1 d . U . . .
H57A H 0.741598 0.580868 0.102093 0.071 Uiso 1 1 calc R U . . .
H57B H 0.800937 0.557569 0.070952 0.071 Uiso 1 1 calc R U . . .
H57C H 0.820806 0.567506 0.156316 0.071 Uiso 1 1 calc R U . . .
C61 C 0.1501(5) 0.65905(15) 0.5456(4) 0.0561(15) Uani 1 1 d . U . . .
H61 H 0.152354 0.676833 0.543436 0.067 Uiso 1 1 calc R U . . .
C62 C 0.5993(4) 0.54627(12) 0.1148(3) 0.0410(12) Uani 1 1 d . U . . .
C63 C 0.3984(5) 0.57871(13) 0.2375(4) 0.0478(14) Uani 1 1 d . U . . .
H63 H 0.420172 0.589457 0.198489 0.057 Uiso 1 1 calc R U . . .
C66 C 0.8007(5) 0.71356(11) 0.7619(4) 0.0446(12) Uani 1 1 d . U . . .
C67 C 0.6726(5) 0.73233(12) 0.8198(4) 0.0509(14) Uani 1 1 d . U . . .
C68 C 0.1401(4) 0.61956(14) 0.4816(4) 0.0448(13) Uani 1 1 d . U . . .
C71 C 0.5564(5) 0.56089(14) 0.0493(4) 0.0556(17) Uani 1 1 d . U . . .
H71A H 0.486523 0.560922 0.052305 0.083 Uiso 1 1 calc R U . . .
H71B H 0.574452 0.553172 0.001058 0.083 Uiso 1 1 calc R U . . .
H71C H 0.580208 0.578161 0.051588 0.083 Uiso 1 1 calc R U . . .
C75 C 0.3027(5) 0.57997(14) 0.2586(4) 0.0525(15) Uani 1 1 d . U . . .
H75 H 0.260365 0.591429 0.233267 0.063 Uiso 1 1 calc R U . . .
C81 C 0.4534(5) 0.70780(13) 0.6935(4) 0.0539(15) Uani 1 1 d . U . . .
H81 H 0.484202 0.714554 0.650579 0.065 Uiso 1 1 calc R U . . .
C82 C 0.7307(5) 0.73350(11) 0.7548(4) 0.0453(13) Uani 1 1 d . U . . .
C87 C 0.7237(6) 0.75245(13) 0.6925(5) 0.0634(19) Uani 1 1 d . U . . .
H87A H 0.733310 0.744243 0.643279 0.095 Uiso 1 1 calc R U . . .
H87B H 0.772966 0.765302 0.701281 0.095 Uiso 1 1 calc R U . . .
H87C H 0.660255 0.760280 0.691991 0.095 Uiso 1 1 calc R U . . .
C89 C 0.4601(5) 0.68803(15) 0.8096(4) 0.0602(16) Uani 1 1 d . U . . .
H89 H 0.496576 0.680555 0.850403 0.072 Uiso 1 1 calc R U . . .
C91 C 0.3628(6) 0.68840(16) 0.8136(5) 0.0644(17) Uani 1 1 d . U . . .
H91 H 0.332974 0.681209 0.856305 0.077 Uiso 1 1 calc R U . . .
C92 C 0.7841(5) 0.70025(12) 0.8293(4) 0.0487(13) Uani 1 1 d . U . . .
C93 C 0.5993(6) 0.49634(13) 0.2672(4) 0.0588(18) Uani 1 1 d . U . . .
H93A H 0.639058 0.498717 0.313897 0.088 Uiso 1 1 calc R U . . .
H93B H 0.615014 0.480239 0.243803 0.088 Uiso 1 1 calc R U . . .
H93C H 0.531562 0.496458 0.280001 0.088 Uiso 1 1 calc R U . . .
C94 C 0.6180(4) 0.51708(12) 0.2123(3) 0.0431(12) Uani 1 1 d . U . . .
C95 C 0.3558(5) 0.70858(14) 0.6952(5) 0.0599(16) Uani 1 1 d . U . . .
H95 H 0.320273 0.715817 0.653480 0.072 Uiso 1 1 calc R U . . .
C97 C 0.1682(5) 0.56629(16) 0.3404(4) 0.0576(16) Uani 1 1 d . U . . .
H97A H 0.126680 0.573681 0.299376 0.069 Uiso 1 1 calc R U . . .
H97B H 0.144813 0.549138 0.350667 0.069 Uiso 1 1 calc R U . . .
C98 C 0.7981(5) 0.52500(13) 0.2509(4) 0.0488(15) Uani 1 1 d . U . . .
H98A H 0.844000 0.538599 0.243408 0.073 Uiso 1 1 calc R U . . .
H98B H 0.826346 0.509070 0.235269 0.073 Uiso 1 1 calc R U . . .
H98C H 0.782412 0.524126 0.304953 0.073 Uiso 1 1 calc R U . . .
C103 C 0.5917(6) 0.74942(14) 0.8383(5) 0.070(2) Uani 1 1 d . U . . .
H10A H 0.561682 0.755817 0.790751 0.106 Uiso 1 1 calc R U . . .
H10B H 0.616285 0.763478 0.869191 0.106 Uiso 1 1 calc R U . . .
H10C H 0.544253 0.740150 0.867002 0.106 Uiso 1 1 calc R U . . .
C108 C 0.4276(5) 0.54806(14) 0.3278(4) 0.0487(14) Uani 1 1 d . U . . .
H108 H 0.471435 0.536999 0.353288 0.058 Uiso 1 1 calc R U . . .
C112 C 0.1540(4) 0.64669(14) 0.6161(4) 0.0506(14) Uani 1 1 d . U . . .
Rh2 Rh -0.11094(3) 0.56190(2) 0.77607(2) 0.03728(12) Uani 1 1 d . U . . .
Rh3 Rh -0.06096(4) 0.66074(2) 0.17085(3) 0.04094(13) Uani 1 1 d . U . . .
O1 O -0.1001(3) 0.56083(7) 0.6555(2) 0.0385(9) Uani 1 1 d . U . . .
O2 O 0.4318(4) 0.57429(12) 0.7064(4) 0.0836(18) Uani 1 1 d . U . . .
O6 O -0.0561(3) 0.57805(8) 0.2582(2) 0.0417(9) Uani 1 1 d . U . . .
O7 O 0.4144(4) 0.62604(11) 0.3426(3) 0.0640(13) Uani 1 1 d . U . . .
O10 O -0.0997(3) 0.66138(7) 0.2865(2) 0.0432(9) Uani 1 1 d . U . . .
O12 O -0.1354(3) 0.59914(8) 0.7442(2) 0.0454(10) Uani 1 1 d . U . . .
O14 O -0.0612(3) 0.62284(8) 0.1997(2) 0.0441(9) Uani 1 1 d . U . . .
O24 O -0.1308(4) 0.64455(8) 0.6865(3) 0.0536(11) Uani 1 1 d . U . . .
N2 N 0.3784(4) 0.66452(11) 0.3845(3) 0.0500(12) Uani 1 1 d . U . . .
H2 H 0.370919 0.674426 0.424049 0.060 Uiso 1 1 calc R U . . .
N4 N -0.0783(3) 0.61982(9) 0.2752(3) 0.0354(10) Uani 1 1 d . U . . .
N5 N 0.3552(4) 0.60871(15) 0.7516(4) 0.0664(15) Uani 1 1 d . U . . .
H5 H 0.343486 0.624773 0.744755 0.080 Uiso 1 1 calc R U . . .
N7 N 0.0792(4) 0.66314(10) 0.2204(3) 0.0479(12) Uani 1 1 d . U . . .
N8 N -0.1198(3) 0.60262(9) 0.6690(3) 0.0371(10) Uani 1 1 d . U . . .
N12 N 0.0346(4) 0.57382(11) 0.7823(3) 0.0485(12) Uani 1 1 d . U . . .
C1 C -0.1052(4) 0.60957(10) 0.5115(3) 0.0309(10) Uani 1 1 d . U . . .
C2 C 0.1057(5) 0.56114(14) 0.7522(4) 0.0511(14) Uani 1 1 d . U . . .
H2A H 0.091016 0.547158 0.720268 0.061 Uiso 1 1 calc R U . . .
C3 C -0.2392(6) 0.63786(15) 0.0715(5) 0.069(2) Uani 1 1 d . U . . .
H3A H -0.206304 0.621714 0.077175 0.104 Uiso 1 1 calc R U . . .
H3B H -0.270637 0.638855 0.020662 0.104 Uiso 1 1 calc R U . . .
H3C H -0.287384 0.639379 0.110652 0.104 Uiso 1 1 calc R U . . .
C10 C -0.0994(4) 0.61261(10) 0.4313(3) 0.0329(10) Uani 1 1 d . U . . .
C12 C -0.0866(4) 0.59155(10) 0.3852(3) 0.0328(10) Uani 1 1 d . U . . .
C14 C -0.1145(4) 0.63081(11) 0.5586(3) 0.0340(11) Uani 1 1 d . U . . .
C20 C -0.1055(4) 0.58208(10) 0.6247(3) 0.0340(11) Uani 1 1 d . U . . .
C21 C 0.1492(5) 0.60156(17) 0.8406(4) 0.0640(17) Uani 1 1 d . U . . .
H21 H 0.162176 0.615925 0.871288 0.077 Uiso 1 1 calc R U . . .
C23 C -0.0390(6) 0.55565(16) 0.9526(4) 0.065(2) Uani 1 1 d . U . . .
H23A H 0.025609 0.551392 0.936894 0.097 Uiso 1 1 calc R U . . .
H23B H -0.053351 0.546379 0.999203 0.097 Uiso 1 1 calc R U . . .
H23C H -0.042747 0.573691 0.962659 0.097 Uiso 1 1 calc R U . . .
C25 C -0.2034(7) 0.50784(15) 0.7319(4) 0.071(2) Uani 1 1 d . U . . .
H25A H -0.246569 0.514974 0.692327 0.107 Uiso 1 1 calc R U . . .
H25B H -0.233368 0.493070 0.754268 0.107 Uiso 1 1 calc R U . . .
H25C H -0.143061 0.502953 0.709210 0.107 Uiso 1 1 calc R U . . .
C27 C -0.0775(7) 0.72098(13) 0.1534(5) 0.067(2) Uani 1 1 d . U . . .
H27A H -0.009173 0.725169 0.154441 0.100 Uiso 1 1 calc R U . . .
H27B H -0.100206 0.720708 0.205784 0.100 Uiso 1 1 calc R U . . .
H27C H -0.113388 0.733589 0.123506 0.100 Uiso 1 1 calc R U . . .
C29 C 0.4053(4) 0.60859(14) 0.6222(4) 0.0526(14) Uani 1 1 d . U . . .
C35 C 0.4041(5) 0.59395(14) 0.5577(5) 0.0541(15) Uani 1 1 d . U . . .
H35 H 0.403968 0.576226 0.562718 0.065 Uiso 1 1 calc R U . . .
C36 C -0.1052(4) 0.63728(10) 0.4007(3) 0.0346(11) Uani 1 1 d . U . . .
C37 C 0.1515(5) 0.64860(14) 0.1972(4) 0.0528(15) Uani 1 1 d . U . . .
H37 H 0.137610 0.635689 0.161086 0.063 Uiso 1 1 calc R U . . .
C38 C -0.0718(4) 0.59486(11) 0.3021(3) 0.0357(11) Uani 1 1 d . U . . .
C39 C 0.3997(5) 0.59591(17) 0.6982(5) 0.0626(16) Uani 1 1 d . U . . .
C41 C 0.0996(5) 0.68100(12) 0.2726(4) 0.0493(14) Uani 1 1 d . U . . .
H41 H 0.049257 0.691200 0.290433 0.059 Uiso 1 1 calc R U . . .
C43 C -0.2649(6) 0.68891(16) 0.1658(5) 0.0657(19) Uani 1 1 d . U . . .
H43A H -0.295517 0.673945 0.186313 0.098 Uiso 1 1 calc R U . . .
H43B H -0.310591 0.697792 0.131751 0.098 Uiso 1 1 calc R U . . .
H43C H -0.244437 0.699961 0.207955 0.098 Uiso 1 1 calc R U . . .
C46 C -0.0990(4) 0.58516(11) 0.5418(3) 0.0346(11) Uani 1 1 d . U . . .
C49 C -0.0190(6) 0.50994(16) 0.8446(6) 0.075(2) Uani 1 1 d . U . . .
H49A H -0.009427 0.502859 0.793766 0.112 Uiso 1 1 calc R U . . .
H49B H -0.033281 0.496427 0.880377 0.112 Uiso 1 1 calc R U . . .
H49C H 0.039328 0.518683 0.862354 0.112 Uiso 1 1 calc R U . . .
C51 C -0.2371(6) 0.58433(15) 0.9057(5) 0.067(2) Uani 1 1 d . U . . .
H51A H -0.184564 0.594006 0.929783 0.101 Uiso 1 1 calc R U . . .
H51B H -0.283835 0.580111 0.944137 0.101 Uiso 1 1 calc R U . . .
H51C H -0.268258 0.594331 0.865015 0.101 Uiso 1 1 calc R U . . .
C52 C -0.0952(4) 0.64035(11) 0.3181(3) 0.0365(11) Uani 1 1 d . U . . .
C58 C -0.1179(4) 0.65428(11) 0.5270(3) 0.0380(12) Uani 1 1 d . U . . .
H58 H -0.123143 0.668530 0.559116 0.046 Uiso 1 1 calc R U . . .
C59 C -0.0720(5) 0.65937(13) 0.0498(3) 0.0507(14) Uani 1 1 d . U . . .
C60 C 0.4019(4) 0.63043(12) 0.4766(4) 0.0421(12) Uani 1 1 d . U . . .
C64 C -0.2454(4) 0.54682(12) 0.8125(4) 0.0438(12) Uani 1 1 d . U . . .
C65 C -0.1839(5) 0.52692(12) 0.7929(4) 0.0462(13) Uani 1 1 d . U . . .
C69 C 0.2443(5) 0.65169(14) 0.2236(4) 0.0536(15) Uani 1 1 d . U . . .
H69 H 0.293078 0.640959 0.205979 0.064 Uiso 1 1 calc R U . . .
C70 C 0.4055(4) 0.63467(13) 0.6136(4) 0.0466(13) Uani 1 1 d . U . . .
H70 H 0.406927 0.645158 0.657503 0.056 Uiso 1 1 calc R U . . .
C72 C -0.1095(4) 0.54884(13) 0.8908(3) 0.0443(12) Uani 1 1 d . U . . .
C73 C 0.0565(5) 0.59405(15) 0.8250(4) 0.0582(16) Uani 1 1 d . U . . .
H73 H 0.005889 0.603571 0.845281 0.070 Uiso 1 1 calc R U . . .
C74 C -0.1805(5) 0.68139(13) 0.1223(4) 0.0476(13) Uani 1 1 d . U . . .
C76 C -0.0804(4) 0.56802(11) 0.4165(3) 0.0394(12) Uani 1 1 d . U . . .
H76 H -0.071622 0.553855 0.384674 0.047 Uiso 1 1 calc R U . . .
C77 C -0.0922(5) 0.69590(12) 0.1179(4) 0.0488(13) Uani 1 1 d . U . . .
C78 C -0.1136(4) 0.65750(11) 0.4473(4) 0.0388(12) Uani 1 1 d . U . . .
H78 H -0.116617 0.673868 0.425996 0.047 Uiso 1 1 calc R U . . .
C79 C 0.2223(5) 0.58808(16) 0.8112(4) 0.0606(16) Uani 1 1 d . U . . .
C80 C 0.2669(5) 0.67036(13) 0.2758(4) 0.0495(14) Uani 1 1 d . U . . .
C83 C 0.3679(5) 0.67456(15) 0.3084(4) 0.0549(15) Uani 1 1 d . U . . .
H83A H 0.414400 0.666369 0.275028 0.066 Uiso 1 1 calc R U . . .
H83B H 0.381994 0.692746 0.309459 0.066 Uiso 1 1 calc R U . . .
C84 C -0.1004(5) 0.52796(12) 0.8405(4) 0.0451(12) Uani 1 1 d . U . . .
C85 C 0.2008(5) 0.56765(15) 0.7659(4) 0.0571(15) Uani 1 1 d . U . . .
H85 H 0.250466 0.558129 0.744164 0.069 Uiso 1 1 calc R U . . .
C86 C -0.0871(4) 0.56493(11) 0.4958(3) 0.0405(12) Uani 1 1 d . U . . .
H86 H -0.083425 0.548616 0.517468 0.049 Uiso 1 1 calc R U . . .
C88 C 0.3995(4) 0.64012(14) 0.3960(4) 0.0485(13) Uani 1 1 d . U . . .
C90 C 0.4032(4) 0.60452(13) 0.4854(4) 0.0521(14) Uani 1 1 d . U . . .
H90 H 0.403357 0.594018 0.441512 0.063 Uiso 1 1 calc R U . . .
C96 C -0.0281(5) 0.68224(13) 0.0717(4) 0.0502(13) Uani 1 1 d . U . . .
C99 C 0.0685(6) 0.69077(16) 0.0500(5) 0.069(2) Uani 1 1 d . U . . .
H99A H 0.107172 0.676229 0.036256 0.103 Uiso 1 1 calc R U . . .
H99B H 0.099763 0.699539 0.093294 0.103 Uiso 1 1 calc R U . . .
H99C H 0.062360 0.702165 0.006193 0.103 Uiso 1 1 calc R U . . .
C100 C 0.4036(4) 0.64518(13) 0.5415(4) 0.0439(13) Uani 1 1 d . U . . .
H100 H 0.403432 0.662904 0.536440 0.053 Uiso 1 1 calc R U . . .
C101 C 0.3255(5) 0.59640(19) 0.8220(5) 0.073(2) Uani 1 1 d . U . . .
H10D H 0.331789 0.608199 0.865557 0.087 Uiso 1 1 calc R U . . .
H10E H 0.366960 0.581714 0.833293 0.087 Uiso 1 1 calc R U . . .
C102 C -0.1676(5) 0.65880(13) 0.0808(4) 0.0496(13) Uani 1 1 d . U . . .
C104 C 0.1924(5) 0.68491(12) 0.3013(4) 0.0486(14) Uani 1 1 d . U . . .
H104 H 0.204775 0.697586 0.338531 0.058 Uiso 1 1 calc R U . . .
C105 C -0.3444(5) 0.55177(17) 0.7820(5) 0.069(2) Uani 1 1 d . U . . .
H10F H -0.353643 0.569860 0.775397 0.104 Uiso 1 1 calc R U . . .
H10G H -0.390728 0.545343 0.817955 0.104 Uiso 1 1 calc R U . . .
H10H H -0.354099 0.543364 0.732525 0.104 Uiso 1 1 calc R U . . .
C106 C -0.1221(4) 0.62754(12) 0.6426(3) 0.0391(12) Uani 1 1 d . U . . .
C107 C -0.0323(7) 0.63871(15) 0.0028(4) 0.072(2) Uani 1 1 d . U . . .
H10I H -0.060759 0.639454 -0.049086 0.107 Uiso 1 1 calc R U . . .
H10J H -0.047285 0.622522 0.026000 0.107 Uiso 1 1 calc R U . . .
H10K H 0.037369 0.640597 0.000725 0.107 Uiso 1 1 calc R U . . .
C110 C -0.1984(5) 0.56088(12) 0.8726(4) 0.0438(12) Uani 1 1 d . U . . .
S3 S 0.3632(4) 0.76472(9) 0.9606(3) 0.1638(15) Uani 1 1 d D U . . .
F3 F 0.2392(8) 0.78528(17) 0.8689(5) 0.168(3) Uani 1 1 d . U . . .
F7 F 0.2213(9) 0.7460(2) 0.8885(8) 0.209(3) Uani 1 1 d . U . . .
F9 F 0.3087(10) 0.7547(2) 0.8156(7) 0.216(4) Uani 1 1 d . U . . .
O13 O 0.4123(10) 0.7817(2) 0.8784(8) 0.191(3) Uani 1 1 d . U . . .
O25 O 0.4013(8) 0.73930(19) 0.9570(7) 0.155(3) Uani 1 1 d . U . . .
O27 O 0.3003(12) 0.7737(3) 1.0118(8) 0.227(5) Uani 1 1 d . U . . .
C111 C 0.2994(14) 0.7666(4) 0.8813(10) 0.159(3) Uani 1 1 d D U . . .
S2 S 0.2083(3) 0.52848(8) 0.55956(19) 0.1328(12) Uani 1 1 d D U . . .
F2 F 0.1321(9) 0.5041(2) 0.4547(6) 0.209(4) Uani 1 1 d D U . . .
F5 F 0.2663(10) 0.4903(3) 0.5384(8) 0.243(4) Uani 1 1 d D U . . .
F11 F 0.0948(8) 0.4947(2) 0.5548(6) 0.198(4) Uani 1 1 d D U . . .
O3 O 0.1206(10) 0.5422(3) 0.5366(10) 0.238(4) Uani 1 1 d D U . . .
O11 O 0.2184(7) 0.52698(15) 0.6396(4) 0.119(2) Uani 1 1 d D U . . .
O23 O 0.2568(9) 0.5446(2) 0.5186(6) 0.168(3) Uani 1 1 d D U . . .
C55 C 0.1811(11) 0.5004(2) 0.5202(8) 0.174(3) Uani 1 1 d D U . . .
S1 S 0.76381(14) 0.49796(4) -0.01369(10) 0.0574(4) Uani 1 1 d . U . . .
F1 F 0.7336(5) 0.48149(9) 0.1241(2) 0.0893(16) Uani 1 1 d . U . . .
F4 F 0.7937(4) 0.45462(9) 0.0514(3) 0.0865(14) Uani 1 1 d . U . . .
F6 F 0.6461(4) 0.46396(13) 0.0363(3) 0.108(2) Uani 1 1 d . U . . .
O5 O 0.8529(5) 0.50594(15) 0.0176(4) 0.111(3) Uani 1 1 d . U . . .
O17 O 0.6877(5) 0.51535(11) -0.0112(3) 0.0884(19) Uani 1 1 d . U . . .
O28 O 0.7685(4) 0.48525(10) -0.0847(3) 0.0611(13) Uani 1 1 d . U . . .
C4 C 0.7309(5) 0.47293(12) 0.0524(3) 0.0410(12) Uani 1 1 d . U . . .
S4 S 0.85467(19) 0.76900(4) 0.96095(15) 0.0855(7) Uani 1 1 d . U . . .
F8 F 1.0193(5) 0.77554(14) 0.8981(5) 0.128(2) Uani 1 1 d . U . . .
F10 F 1.0256(5) 0.75828(13) 1.0109(4) 0.129(2) Uani 1 1 d . U . . .
F12 F 0.9769(6) 0.73681(13) 0.9139(5) 0.153(3) Uani 1 1 d . U . . .
O9 O 0.8123(6) 0.76986(13) 0.8856(4) 0.105(2) Uani 1 1 d . U . . .
O19 O 0.8668(6) 0.79311(12) 0.9955(4) 0.096(2) Uani 1 1 d . U . . .
O21 O 0.8190(6) 0.74991(15) 1.0091(6) 0.130(3) Uani 1 1 d . U . . .
C109 C 0.9746(9) 0.7590(2) 0.9438(7) 0.101(2) Uani 1 1 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 O16 2.099(4) . ?
Rh1 O18 2.163(4) . ?
Rh1 N10 2.119(5) . ?
Rh1 C44 2.150(5) . ?
Rh1 C48 2.157(6) . ?
Rh1 C56 2.158(6) . ?
Rh1 C62 2.112(5) . ?
Rh1 C94 2.136(6) . ?
Rh4 O4 2.084(4) . ?
Rh4 O8 2.125(4) . ?
Rh4 N3 2.124(6) . ?
Rh4 C31 2.126(6) . ?
Rh4 C66 2.141(6) . ?
Rh4 C67 2.147(6) . ?
Rh4 C82 2.125(6) . ?
Rh4 C92 2.153(6) . ?
O4 N1 1.358(6) . ?
O8 C16 1.253(6) . ?
O15 C19 1.232(9) . ?
O16 N6 1.362(6) . ?
O18 C42 1.256(7) . ?
O20 C22 1.194(7) . ?
O22 C18 1.198(7) . ?
O26 C17 1.245(8) . ?
N1 C16 1.350(7) . ?
N1 C22 1.424(7) . ?
N3 C81 1.335(9) . ?
N3 C89 1.348(9) . ?
N6 C18 1.424(8) . ?
N6 C42 1.354(7) . ?
N9 H9 0.8800 . ?
N9 C17 1.341(9) . ?
N9 C97 1.461(9) . ?
N10 C63 1.335(8) . ?
N10 C108 1.345(8) . ?
N11 H11 0.8800 . ?
N11 C19 1.315(10) . ?
N11 C45 1.470(10) . ?
C5 C45 1.518(11) . ?
C5 C91 1.369(11) . ?
C5 C95 1.370(11) . ?
C6 C8 1.417(7) . ?
C6 C28 1.407(7) . ?
C6 C34 1.416(7) . ?
C7 C9 1.398(10) . ?
C7 C75 1.356(10) . ?
C7 C97 1.506(9) . ?
C8 C22 1.467(7) . ?
C8 C30 1.381(7) . ?
C9 H9A 0.9500 . ?
C9 C108 1.369(9) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C11 C56 1.468(9) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C13 C92 1.507(10) . ?
C15 H15 0.9500 . ?
C15 C54 1.364(9) . ?
C15 C112 1.383(10) . ?
C16 C34 1.470(7) . ?
C17 C68 1.498(9) . ?
C18 C32 1.467(8) . ?
C19 C112 1.503(10) . ?
C24 C28 1.408(8) . ?
C24 C40 1.385(8) . ?
C24 C42 1.457(7) . ?
C26 H26 0.9500 . ?
C26 C34 1.375(7) . ?
C26 C50 1.408(8) . ?
C28 C32 1.418(8) . ?
C30 H30 0.9500 . ?
C30 C40 1.407(8) . ?
C31 C53 1.500(10) . ?
C31 C67 1.430(9) . ?
C31 C92 1.436(10) . ?
C32 C50 1.374(8) . ?
C33 H33 0.9500 . ?
C33 C61 1.367(10) . ?
C33 C68 1.372(10) . ?
C40 H40 0.9500 . ?
C44 C48 1.407(8) . ?
C44 C57 1.487(8) . ?
C44 C62 1.450(8) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C47 C66 1.507(10) . ?
C48 C94 1.461(8) . ?
C48 C98 1.488(9) . ?
C50 H50 0.9500 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54 0.9500 . ?
C54 C68 1.394(9) . ?
C56 C62 1.444(9) . ?
C56 C94 1.425(9) . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C61 H61 0.9500 . ?
C61 C112 1.399(10) . ?
C62 C71 1.494(9) . ?
C63 H63 0.9500 . ?
C63 C75 1.401(9) . ?
C66 C82 1.448(9) . ?
C66 C92 1.404(9) . ?
C67 C82 1.421(10) . ?
C67 C103 1.496(10) . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C75 H75 0.9500 . ?
C81 H81 0.9500 . ?
C81 C95 1.366(10) . ?
C82 C87 1.487(9) . ?
C87 H87A 0.9800 . ?
C87 H87B 0.9800 . ?
C87 H87C 0.9800 . ?
C89 H89 0.9500 . ?
C89 C91 1.364(11) . ?
C91 H91 0.9500 . ?
C93 H93A 0.9800 . ?
C93 H93B 0.9800 . ?
C93 H93C 0.9800 . ?
C93 C94 1.494(9) . ?
C95 H95 0.9500 . ?
C97 H97A 0.9900 . ?
C97 H97B 0.9900 . ?
C98 H98A 0.9800 . ?
C98 H98B 0.9800 . ?
C98 H98C 0.9800 . ?
C103 H10A 0.9800 . ?
C103 H10B 0.9800 . ?
C103 H10C 0.9800 . ?
C108 H108 0.9500 . ?
Rh2 O1 2.121(4) . ?
Rh2 O12 2.089(4) . ?
Rh2 N12 2.129(5) . ?
Rh2 C64 2.160(6) . ?
Rh2 C65 2.152(6) . ?
Rh2 C72 2.125(6) . ?
Rh2 C84 2.136(6) . ?
Rh2 C110 2.120(6) . ?
Rh3 O10 2.113(4) . ?
Rh3 O14 2.084(4) . ?
Rh3 N7 2.117(5) . ?
Rh3 C59 2.119(6) . ?
Rh3 C74 2.151(6) . ?
Rh3 C77 2.131(6) . ?
Rh3 C96 2.144(6) . ?
Rh3 C102 2.133(6) . ?
O1 C20 1.257(7) . ?
O2 C39 1.244(10) . ?
O6 C38 1.206(7) . ?
O7 C88 1.223(8) . ?
O10 C52 1.252(7) . ?
O12 N8 1.355(6) . ?
O14 N4 1.362(6) . ?
O24 C106 1.199(7) . ?
N2 H2 0.8800 . ?
N2 C83 1.439(9) . ?
N2 C88 1.348(9) . ?
N4 C38 1.414(7) . ?
N4 C52 1.353(7) . ?
N5 H5 0.8800 . ?
N5 C39 1.330(11) . ?
N5 C101 1.469(9) . ?
N7 C37 1.347(9) . ?
N7 C41 1.345(8) . ?
N8 C20 1.361(7) . ?
N8 C106 1.408(8) . ?
N12 C2 1.326(9) . ?
N12 C73 1.342(9) . ?
C1 C10 1.418(8) . ?
C1 C14 1.409(8) . ?
C1 C46 1.408(8) . ?
C2 H2A 0.9500 . ?
C2 C85 1.386(10) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C3 C102 1.505(10) . ?
C10 C12 1.399(8) . ?
C10 C36 1.423(8) . ?
C12 C38 1.486(8) . ?
C12 C76 1.372(8) . ?
C14 C58 1.369(8) . ?
C14 C106 1.487(8) . ?
C20 C46 1.466(8) . ?
C21 H21 0.9500 . ?
C21 C73 1.374(10) . ?
C21 C79 1.364(12) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C23 C72 1.483(10) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C25 C65 1.493(10) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C27 C77 1.487(10) . ?
C29 C35 1.373(10) . ?
C29 C39 1.496(10) . ?
C29 C70 1.399(10) . ?
C35 H35 0.9500 . ?
C35 C90 1.385(10) . ?
C36 C52 1.465(8) . ?
C36 C78 1.360(8) . ?
C37 H37 0.9500 . ?
C37 C69 1.372(10) . ?
C41 H41 0.9500 . ?
C41 C104 1.391(9) . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C43 C74 1.480(10) . ?
C46 C86 1.360(8) . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C49 C84 1.489(10) . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C51 C110 1.489(10) . ?
C58 H58 0.9500 . ?
C58 C78 1.409(8) . ?
C59 C96 1.413(10) . ?
C59 C102 1.459(10) . ?
C59 C107 1.494(10) . ?
C60 C88 1.503(9) . ?
C60 C90 1.391(10) . ?
C60 C100 1.381(9) . ?
C64 C65 1.415(10) . ?
C64 C105 1.490(9) . ?
C64 C110 1.433(9) . ?
C65 C84 1.412(9) . ?
C69 H69 0.9500 . ?
C69 C80 1.380(10) . ?
C70 H70 0.9500 . ?
C70 C100 1.380(9) . ?
C72 C84 1.428(9) . ?
C72 C110 1.424(9) . ?
C73 H73 0.9500 . ?
C74 C77 1.461(9) . ?
C74 C102 1.422(10) . ?
C76 H76 0.9500 . ?
C76 C86 1.404(8) . ?
C77 C96 1.428(10) . ?
C78 H78 0.9500 . ?
C79 C85 1.376(11) . ?
C79 C101 1.514(10) . ?
C80 C83 1.521(9) . ?
C80 C104 1.385(10) . ?
C83 H83A 0.9900 . ?
C83 H83B 0.9900 . ?
C85 H85 0.9500 . ?
C86 H86 0.9500 . ?
C90 H90 0.9500 . ?
C96 C99 1.486(11) . ?
C99 H99A 0.9800 . ?
C99 H99B 0.9800 . ?
C99 H99C 0.9800 . ?
C100 H100 0.9500 . ?
C101 H10D 0.9900 . ?
C101 H10E 0.9900 . ?
C104 H104 0.9500 . ?
C105 H10F 0.9800 . ?
C105 H10G 0.9800 . ?
C105 H10H 0.9800 . ?
C107 H10I 0.9800 . ?
C107 H10J 0.9800 . ?
C107 H10K 0.9800 . ?
S3 O13 1.852(15) . ?
S3 O25 1.459(10) . ?
S3 O27 1.364(14) . ?
S3 C111 1.627(15) . ?
F3 C111 1.317(17) . ?
F7 C111 1.56(2) . ?
F9 C111 1.322(17) . ?
O13 C111 1.77(2) . ?
S2 O3 1.472(8) . ?
S2 O11 1.406(6) . ?
S2 O23 1.322(7) . ?
S2 C55 1.688(11) . ?
F2 C55 1.330(13) . ?
F5 C55 1.336(14) . ?
F11 C55 1.401(14) . ?
S1 O5 1.408(6) . ?
S1 O17 1.413(6) . ?
S1 O28 1.419(5) . ?
S1 C4 1.835(6) . ?
F1 C4 1.335(7) . ?
F4 C4 1.314(8) . ?
F6 C4 1.300(8) . ?
S4 O9 1.427(7) . ?
S4 O19 1.429(7) . ?
S4 O21 1.423(8) . ?
S4 C109 1.794(13) . ?
F8 C109 1.358(13) . ?
F10 C109 1.354(12) . ?
F12 C109 1.294(12) . ?

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
O16 Rh1 O18 76.53(15) . . ?
O16 Rh1 N10 87.87(19) . . ?
O16 Rh1 C44 97.84(19) . . ?
O16 Rh1 C48 123.5(2) . . ?
O16 Rh1 C56 140.6(2) . . ?
O16 Rh1 C62 104.8(2) . . ?
O16 Rh1 C94 162.5(2) . . ?
N10 Rh1 O18 82.56(17) . . ?
N10 Rh1 C44 152.8(2) . . ?
N10 Rh1 C48 148.5(2) . . ?
N10 Rh1 C56 93.3(2) . . ?
N10 Rh1 C94 109.3(2) . . ?
C44 Rh1 O18 124.61(19) . . ?
C44 Rh1 C48 38.2(2) . . ?
C44 Rh1 C56 65.6(2) . . ?
C48 Rh1 O18 100.00(19) . . ?
C48 Rh1 C56 65.6(2) . . ?
C56 Rh1 O18 142.7(2) . . ?
C62 Rh1 O18 164.2(2) . . ?
C62 Rh1 N10 113.1(2) . . ?
C62 Rh1 C44 39.8(2) . . ?
C62 Rh1 C48 65.9(2) . . ?
C62 Rh1 C56 39.5(2) . . ?
C62 Rh1 C94 66.2(2) . . ?
C94 Rh1 O18 108.1(2) . . ?
C94 Rh1 C44 65.5(2) . . ?
C94 Rh1 C48 39.8(2) . . ?
C94 Rh1 C56 38.8(2) . . ?
O4 Rh4 O8 77.49(14) . . ?
O4 Rh4 N3 84.76(19) . . ?
O4 Rh4 C31 111.3(2) . . ?
O4 Rh4 C66 116.7(2) . . ?
O4 Rh4 C67 149.1(2) . . ?
O4 Rh4 C82 156.2(2) . . ?
O4 Rh4 C92 96.9(2) . . ?
O8 Rh4 C31 164.7(2) . . ?
O8 Rh4 C66 99.7(2) . . ?
O8 Rh4 C67 133.4(2) . . ?
O8 Rh4 C82 101.0(2) . . ?
O8 Rh4 C92 129.6(2) . . ?
N3 Rh4 O8 85.75(19) . . ?
N3 Rh4 C31 107.1(3) . . ?
N3 Rh4 C66 158.5(2) . . ?
N3 Rh4 C67 95.7(3) . . ?
N3 Rh4 C82 119.0(2) . . ?
N3 Rh4 C92 144.3(2) . . ?
C31 Rh4 C66 65.3(3) . . ?
C31 Rh4 C67 39.1(3) . . ?
C31 Rh4 C92 39.2(3) . . ?
C66 Rh4 C67 65.4(3) . . ?
C66 Rh4 C92 38.2(3) . . ?
C67 Rh4 C92 65.2(3) . . ?
C82 Rh4 C31 65.7(3) . . ?
C82 Rh4 C66 39.7(2) . . ?
C82 Rh4 C67 38.9(3) . . ?
C82 Rh4 C92 65.4(3) . . ?
N1 O4 Rh4 110.9(3) . . ?
C16 O8 Rh4 112.5(3) . . ?
N6 O16 Rh1 110.6(3) . . ?
C42 O18 Rh1 112.5(4) . . ?
O4 N1 C22 115.1(4) . . ?
C16 N1 O4 118.5(4) . . ?
C16 N1 C22 126.4(5) . . ?
C81 N3 Rh4 123.4(5) . . ?
C81 N3 C89 117.1(6) . . ?
C89 N3 Rh4 119.4(5) . . ?
O16 N6 C18 114.9(4) . . ?
C42 N6 O16 119.5(5) . . ?
C42 N6 C18 125.6(5) . . ?
C17 N9 H9 119.1 . . ?
C17 N9 C97 121.8(6) . . ?
C97 N9 H9 119.1 . . ?
C63 N10 Rh1 122.5(4) . . ?
C63 N10 C108 118.3(5) . . ?
C108 N10 Rh1 118.8(4) . . ?
C19 N11 H11 120.2 . . ?
C19 N11 C45 119.7(7) . . ?
C45 N11 H11 120.2 . . ?
C91 C5 C45 121.4(8) . . ?
C91 C5 C95 116.8(7) . . ?
C95 C5 C45 121.7(8) . . ?
C28 C6 C8 119.9(5) . . ?
C28 C6 C34 119.1(5) . . ?
C34 C6 C8 121.0(5) . . ?
C9 C7 C97 119.8(7) . . ?
C75 C7 C9 117.5(6) . . ?
C75 C7 C97 122.6(7) . . ?
C6 C8 C22 120.2(5) . . ?
C30 C8 C6 119.6(5) . . ?
C30 C8 C22 120.2(5) . . ?
C7 C9 H9A 120.3 . . ?
C108 C9 C7 119.3(6) . . ?
C108 C9 H9A 120.3 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C56 C11 H11A 109.5 . . ?
C56 C11 H11B 109.5 . . ?
C56 C11 H11C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C92 C13 H13A 109.5 . . ?
C92 C13 H13B 109.5 . . ?
C92 C13 H13C 109.5 . . ?
C54 C15 H15 119.8 . . ?
C54 C15 C112 120.4(6) . . ?
C112 C15 H15 119.8 . . ?
O8 C16 N1 120.4(5) . . ?
O8 C16 C34 121.7(5) . . ?
N1 C16 C34 117.9(5) . . ?
O26 C17 N9 122.4(6) . . ?
O26 C17 C68 120.8(7) . . ?
N9 C17 C68 116.7(6) . . ?
O22 C18 N6 119.7(5) . . ?
O22 C18 C32 124.8(6) . . ?
N6 C18 C32 115.4(5) . . ?
O15 C19 N11 121.5(7) . . ?
O15 C19 C112 119.9(7) . . ?
N11 C19 C112 118.5(7) . . ?
O20 C22 N1 119.5(5) . . ?
O20 C22 C8 125.3(5) . . ?
N1 C22 C8 115.2(5) . . ?
C28 C24 C42 119.3(5) . . ?
C40 C24 C28 120.4(5) . . ?
C40 C24 C42 120.3(5) . . ?
C34 C26 H26 120.3 . . ?
C34 C26 C50 119.5(5) . . ?
C50 C26 H26 120.3 . . ?
C6 C28 C24 119.4(5) . . ?
C6 C28 C32 119.6(5) . . ?
C24 C28 C32 121.0(5) . . ?
C8 C30 H30 119.7 . . ?
C8 C30 C40 120.7(5) . . ?
C40 C30 H30 119.7 . . ?
C53 C31 Rh4 127.5(5) . . ?
C67 C31 Rh4 71.3(4) . . ?
C67 C31 C53 127.5(7) . . ?
C67 C31 C92 107.9(6) . . ?
C92 C31 Rh4 71.4(4) . . ?
C92 C31 C53 124.3(7) . . ?
C28 C32 C18 120.2(5) . . ?
C50 C32 C18 120.1(5) . . ?
C50 C32 C28 119.6(5) . . ?
C61 C33 H33 119.3 . . ?
C61 C33 C68 121.4(7) . . ?
C68 C33 H33 119.3 . . ?
C6 C34 C16 119.0(5) . . ?
C26 C34 C6 120.8(5) . . ?
C26 C34 C16 120.1(5) . . ?
C24 C40 C30 120.0(5) . . ?
C24 C40 H40 120.0 . . ?
C30 C40 H40 120.0 . . ?
O18 C42 N6 119.3(5) . . ?
O18 C42 C24 122.2(5) . . ?
N6 C42 C24 118.5(5) . . ?
C48 C44 Rh1 71.2(3) . . ?
C48 C44 C57 126.5(6) . . ?
C48 C44 C62 108.7(5) . . ?
C57 C44 Rh1 124.5(4) . . ?
C62 C44 Rh1 68.7(3) . . ?
C62 C44 C57 124.8(6) . . ?
N11 C45 C5 110.3(6) . . ?
N11 C45 H45A 109.6 . . ?
N11 C45 H45B 109.6 . . ?
C5 C45 H45A 109.6 . . ?
C5 C45 H45B 109.6 . . ?
H45A C45 H45B 108.1 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C66 C47 H47A 109.5 . . ?
C66 C47 H47B 109.5 . . ?
C66 C47 H47C 109.5 . . ?
C44 C48 Rh1 70.7(3) . . ?
C44 C48 C94 107.8(5) . . ?
C44 C48 C98 127.0(6) . . ?
C94 C48 Rh1 69.3(3) . . ?
C94 C48 C98 125.2(6) . . ?
C98 C48 Rh1 125.3(4) . . ?
C26 C50 H50 119.4 . . ?
C32 C50 C26 121.2(5) . . ?
C32 C50 H50 119.4 . . ?
C31 C53 H53A 109.5 . . ?
C31 C53 H53B 109.5 . . ?
C31 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C15 C54 H54 119.9 . . ?
C15 C54 C68 120.2(7) . . ?
C68 C54 H54 119.9 . . ?
C11 C56 Rh1 126.1(5) . . ?
C62 C56 Rh1 68.6(3) . . ?
C62 C56 C11 126.1(6) . . ?
C94 C56 Rh1 69.8(3) . . ?
C94 C56 C11 126.1(6) . . ?
C94 C56 C62 107.8(5) . . ?
C44 C57 H57A 109.5 . . ?
C44 C57 H57B 109.5 . . ?
C44 C57 H57C 109.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C33 C61 H61 120.4 . . ?
C33 C61 C112 119.2(7) . . ?
C112 C61 H61 120.4 . . ?
C44 C62 Rh1 71.5(3) . . ?
C44 C62 C71 126.8(6) . . ?
C56 C62 Rh1 71.9(3) . . ?
C56 C62 C44 107.5(5) . . ?
C56 C62 C71 125.5(6) . . ?
C71 C62 Rh1 126.6(5) . . ?
N10 C63 H63 119.5 . . ?
N10 C63 C75 121.1(6) . . ?
C75 C63 H63 119.5 . . ?
C47 C66 Rh4 126.4(5) . . ?
C82 C66 Rh4 69.6(4) . . ?
C82 C66 C47 124.3(6) . . ?
C92 C66 Rh4 71.4(4) . . ?
C92 C66 C47 127.5(6) . . ?
C92 C66 C82 108.2(6) . . ?
C31 C67 Rh4 69.6(3) . . ?
C31 C67 C103 124.9(7) . . ?
C82 C67 Rh4 69.7(3) . . ?
C82 C67 C31 108.0(6) . . ?
C82 C67 C103 127.1(7) . . ?
C103 C67 Rh4 125.1(5) . . ?
C33 C68 C17 117.8(6) . . ?
C33 C68 C54 119.2(6) . . ?
C54 C68 C17 123.0(7) . . ?
C62 C71 H71A 109.5 . . ?
C62 C71 H71B 109.5 . . ?
C62 C71 H71C 109.5 . . ?
H71A C71 H71B 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C7 C75 C63 120.9(6) . . ?
C7 C75 H75 119.6 . . ?
C63 C75 H75 119.6 . . ?
N3 C81 H81 119.0 . . ?
N3 C81 C95 121.9(7) . . ?
C95 C81 H81 119.0 . . ?
C66 C82 Rh4 70.7(3) . . ?
C66 C82 C87 126.1(6) . . ?
C67 C82 Rh4 71.4(4) . . ?
C67 C82 C66 107.6(6) . . ?
C67 C82 C87 126.3(6) . . ?
C87 C82 Rh4 125.3(5) . . ?
C82 C87 H87A 109.5 . . ?
C82 C87 H87B 109.5 . . ?
C82 C87 H87C 109.5 . . ?
H87A C87 H87B 109.5 . . ?
H87A C87 H87C 109.5 . . ?
H87B C87 H87C 109.5 . . ?
N3 C89 H89 118.6 . . ?
N3 C89 C91 122.9(7) . . ?
C91 C89 H89 118.6 . . ?
C5 C91 H91 120.0 . . ?
C89 C91 C5 120.1(8) . . ?
C89 C91 H91 120.0 . . ?
C13 C92 Rh4 124.3(5) . . ?
C31 C92 Rh4 69.4(4) . . ?
C31 C92 C13 125.7(7) . . ?
C66 C92 Rh4 70.5(4) . . ?
C66 C92 C13 126.0(7) . . ?
C66 C92 C31 108.2(6) . . ?
H93A C93 H93B 109.5 . . ?
H93A C93 H93C 109.5 . . ?
H93B C93 H93C 109.5 . . ?
C94 C93 H93A 109.5 . . ?
C94 C93 H93B 109.5 . . ?
C94 C93 H93C 109.5 . . ?
C48 C94 Rh1 70.9(3) . . ?
C48 C94 C93 125.8(6) . . ?
C56 C94 Rh1 71.4(4) . . ?
C56 C94 C48 108.1(5) . . ?
C56 C94 C93 126.0(6) . . ?
C93 C94 Rh1 126.7(5) . . ?
C5 C95 H95 119.4 . . ?
C81 C95 C5 121.2(7) . . ?
C81 C95 H95 119.4 . . ?
N9 C97 C7 110.6(5) . . ?
N9 C97 H97A 109.5 . . ?
N9 C97 H97B 109.5 . . ?
C7 C97 H97A 109.5 . . ?
C7 C97 H97B 109.5 . . ?
H97A C97 H97B 108.1 . . ?
C48 C98 H98A 109.5 . . ?
C48 C98 H98B 109.5 . . ?
C48 C98 H98C 109.5 . . ?
H98A C98 H98B 109.5 . . ?
H98A C98 H98C 109.5 . . ?
H98B C98 H98C 109.5 . . ?
C67 C103 H10A 109.5 . . ?
C67 C103 H10B 109.5 . . ?
C67 C103 H10C 109.5 . . ?
H10A C103 H10B 109.5 . . ?
H10A C103 H10C 109.5 . . ?
H10B C103 H10C 109.5 . . ?
N10 C108 C9 122.9(6) . . ?
N10 C108 H108 118.6 . . ?
C9 C108 H108 118.6 . . ?
C15 C112 C19 118.0(7) . . ?
C15 C112 C61 119.5(7) . . ?
C61 C112 C19 122.3(7) . . ?
O1 Rh2 N12 87.59(18) . . ?
O1 Rh2 C64 112.1(2) . . ?
O1 Rh2 C65 99.4(2) . . ?
O1 Rh2 C72 158.8(2) . . ?
O1 Rh2 C84 119.8(2) . . ?
O12 Rh2 O1 77.10(15) . . ?
O12 Rh2 N12 82.9(2) . . ?
O12 Rh2 C64 107.3(2) . . ?
O12 Rh2 C65 142.0(2) . . ?
O12 Rh2 C72 124.1(2) . . ?
O12 Rh2 C84 162.8(2) . . ?
O12 Rh2 C110 98.3(2) . . ?
N12 Rh2 C64 159.2(2) . . ?
N12 Rh2 C65 135.1(2) . . ?
N12 Rh2 C84 100.2(2) . . ?
C65 Rh2 C64 38.3(3) . . ?
C72 Rh2 N12 94.1(2) . . ?
C72 Rh2 C64 65.1(2) . . ?
C72 Rh2 C65 64.8(2) . . ?
C72 Rh2 C84 39.2(3) . . ?
C84 Rh2 C64 64.7(2) . . ?
C84 Rh2 C65 38.4(3) . . ?
C110 Rh2 O1 148.8(2) . . ?
C110 Rh2 N12 122.9(2) . . ?
C110 Rh2 C64 39.1(3) . . ?
C110 Rh2 C65 65.1(2) . . ?
C110 Rh2 C72 39.2(2) . . ?
C110 Rh2 C84 65.7(2) . . ?
O10 Rh3 N7 82.6(2) . . ?
O10 Rh3 C59 161.0(2) . . ?
O10 Rh3 C74 98.5(2) . . ?
O10 Rh3 C77 110.3(2) . . ?
O10 Rh3 C96 146.7(2) . . ?
O10 Rh3 C102 120.9(2) . . ?
O14 Rh3 O10 77.37(16) . . ?
O14 Rh3 N7 88.22(19) . . ?
O14 Rh3 C59 102.0(2) . . ?
O14 Rh3 C74 125.8(2) . . ?
O14 Rh3 C77 163.2(2) . . ?
O14 Rh3 C96 135.8(2) . . ?
O14 Rh3 C102 97.2(2) . . ?
N7 Rh3 C59 116.5(3) . . ?
N7 Rh3 C74 145.6(2) . . ?
N7 Rh3 C77 107.3(2) . . ?
N7 Rh3 C96 94.5(2) . . ?
N7 Rh3 C102 156.6(3) . . ?
C59 Rh3 C74 66.1(3) . . ?
C59 Rh3 C77 65.7(3) . . ?
C59 Rh3 C96 38.7(3) . . ?
C59 Rh3 C102 40.1(3) . . ?
C77 Rh3 C74 39.9(3) . . ?
C77 Rh3 C96 39.0(3) . . ?
C77 Rh3 C102 66.0(3) . . ?
C96 Rh3 C74 65.9(3) . . ?
C102 Rh3 C74 38.8(3) . . ?
C102 Rh3 C96 65.9(3) . . ?
C20 O1 Rh2 113.4(4) . . ?
C52 O10 Rh3 113.5(4) . . ?
N8 O12 Rh2 111.1(3) . . ?
N4 O14 Rh3 110.6(3) . . ?
C83 N2 H2 119.6 . . ?
C88 N2 H2 119.6 . . ?
C88 N2 C83 120.8(6) . . ?
O14 N4 C38 115.0(5) . . ?
C52 N4 O14 118.9(4) . . ?
C52 N4 C38 126.0(5) . . ?
C39 N5 H5 119.6 . . ?
C39 N5 C101 120.8(8) . . ?
C101 N5 H5 119.6 . . ?
C37 N7 Rh3 122.3(4) . . ?
C41 N7 Rh3 119.5(5) . . ?
C41 N7 C37 118.0(6) . . ?
O12 N8 C20 118.4(5) . . ?
O12 N8 C106 116.5(5) . . ?
C20 N8 C106 125.2(5) . . ?
C2 N12 Rh2 123.7(5) . . ?
C2 N12 C73 118.1(6) . . ?
C73 N12 Rh2 117.9(5) . . ?
C14 C1 C10 119.7(5) . . ?
C46 C1 C10 118.2(5) . . ?
C46 C1 C14 122.0(5) . . ?
N12 C2 H2A 119.0 . . ?
N12 C2 C85 122.0(7) . . ?
C85 C2 H2A 119.0 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C102 C3 H3A 109.5 . . ?
C102 C3 H3B 109.5 . . ?
C102 C3 H3C 109.5 . . ?
C1 C10 C36 118.3(5) . . ?
C12 C10 C1 119.5(5) . . ?
C12 C10 C36 122.2(5) . . ?
C10 C12 C38 119.6(5) . . ?
C76 C12 C10 120.8(5) . . ?
C76 C12 C38 119.4(5) . . ?
C1 C14 C106 119.6(5) . . ?
C58 C14 C1 120.1(5) . . ?
C58 C14 C106 120.3(5) . . ?
O1 C20 N8 119.3(5) . . ?
O1 C20 C46 121.4(5) . . ?
N8 C20 C46 119.3(5) . . ?
C73 C21 H21 120.5 . . ?
C79 C21 H21 120.5 . . ?
C79 C21 C73 119.0(8) . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C72 C23 H23A 109.5 . . ?
C72 C23 H23B 109.5 . . ?
C72 C23 H23C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C65 C25 H25A 109.5 . . ?
C65 C25 H25B 109.5 . . ?
C65 C25 H25C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C77 C27 H27A 109.5 . . ?
C77 C27 H27B 109.5 . . ?
C77 C27 H27C 109.5 . . ?
C35 C29 C39 118.3(7) . . ?
C35 C29 C70 118.5(7) . . ?
C70 C29 C39 123.1(7) . . ?
C29 C35 H35 119.3 . . ?
C29 C35 C90 121.3(7) . . ?
C90 C35 H35 119.3 . . ?
C10 C36 C52 118.0(5) . . ?
C78 C36 C10 120.8(5) . . ?
C78 C36 C52 121.1(5) . . ?
N7 C37 H37 118.7 . . ?
N7 C37 C69 122.6(6) . . ?
C69 C37 H37 118.7 . . ?
O6 C38 N4 120.0(5) . . ?
O6 C38 C12 124.7(5) . . ?
N4 C38 C12 115.3(5) . . ?
O2 C39 N5 124.8(8) . . ?
O2 C39 C29 119.5(8) . . ?
N5 C39 C29 115.7(7) . . ?
N7 C41 H41 119.2 . . ?
N7 C41 C104 121.7(7) . . ?
C104 C41 H41 119.2 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C74 C43 H43A 109.5 . . ?
C74 C43 H43B 109.5 . . ?
C74 C43 H43C 109.5 . . ?
C1 C46 C20 118.1(5) . . ?
C86 C46 C1 121.3(5) . . ?
C86 C46 C20 120.6(5) . . ?
H49A C49 H49B 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C84 C49 H49A 109.5 . . ?
C84 C49 H49B 109.5 . . ?
C84 C49 H49C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C110 C51 H51A 109.5 . . ?
C110 C51 H51B 109.5 . . ?
C110 C51 H51C 109.5 . . ?
O10 C52 N4 119.1(5) . . ?
O10 C52 C36 122.1(5) . . ?
N4 C52 C36 118.7(5) . . ?
C14 C58 H58 119.7 . . ?
C14 C58 C78 120.6(6) . . ?
C78 C58 H58 119.7 . . ?
C96 C59 Rh3 71.6(4) . . ?
C96 C59 C102 108.2(6) . . ?
C96 C59 C107 128.3(7) . . ?
C102 C59 Rh3 70.4(3) . . ?
C102 C59 C107 123.5(7) . . ?
C107 C59 Rh3 124.0(5) . . ?
C90 C60 C88 116.4(6) . . ?
C100 C60 C88 125.1(6) . . ?
C100 C60 C90 118.4(6) . . ?
C65 C64 Rh2 70.5(3) . . ?
C65 C64 C105 127.6(7) . . ?
C65 C64 C110 107.7(6) . . ?
C105 C64 Rh2 129.4(4) . . ?
C110 C64 Rh2 68.9(3) . . ?
C110 C64 C105 124.5(7) . . ?
C25 C65 Rh2 124.7(5) . . ?
C64 C65 Rh2 71.2(3) . . ?
C64 C65 C25 126.0(7) . . ?
C84 C65 Rh2 70.2(4) . . ?
C84 C65 C25 125.1(7) . . ?
C84 C65 C64 108.9(6) . . ?
C37 C69 H69 119.9 . . ?
C37 C69 C80 120.1(7) . . ?
C80 C69 H69 119.9 . . ?
C29 C70 H70 119.9 . . ?
C100 C70 C29 120.1(6) . . ?
C100 C70 H70 119.9 . . ?
C23 C72 Rh2 126.4(4) . . ?
C84 C72 Rh2 70.9(3) . . ?
C84 C72 C23 124.7(7) . . ?
C110 C72 Rh2 70.2(3) . . ?
C110 C72 C23 127.2(7) . . ?
C110 C72 C84 108.1(6) . . ?
N12 C73 C21 122.8(7) . . ?
N12 C73 H73 118.6 . . ?
C21 C73 H73 118.6 . . ?
C43 C74 Rh3 123.9(5) . . ?
C77 C74 Rh3 69.3(4) . . ?
C77 C74 C43 125.0(7) . . ?
C102 C74 Rh3 69.9(4) . . ?
C102 C74 C43 127.6(7) . . ?
C102 C74 C77 107.4(6) . . ?
C12 C76 H76 120.1 . . ?
C12 C76 C86 119.9(6) . . ?
C86 C76 H76 120.1 . . ?
C27 C77 Rh3 125.9(5) . . ?
C74 C77 Rh3 70.8(3) . . ?
C74 C77 C27 124.0(7) . . ?
C96 C77 Rh3 71.0(4) . . ?
C96 C77 C27 128.0(7) . . ?
C96 C77 C74 107.9(6) . . ?
C36 C78 C58 120.3(5) . . ?
C36 C78 H78 119.8 . . ?
C58 C78 H78 119.8 . . ?
C21 C79 C85 118.9(7) . . ?
C21 C79 C101 121.4(8) . . ?
C85 C79 C101 119.5(8) . . ?
C69 C80 C83 122.9(7) . . ?
C69 C80 C104 117.4(6) . . ?
C104 C80 C83 119.6(6) . . ?
N2 C83 C80 110.9(6) . . ?
N2 C83 H83A 109.5 . . ?
N2 C83 H83B 109.5 . . ?
C80 C83 H83A 109.5 . . ?
C80 C83 H83B 109.5 . . ?
H83A C83 H83B 108.1 . . ?
C49 C84 Rh2 127.7(5) . . ?
C65 C84 Rh2 71.4(4) . . ?
C65 C84 C49 128.2(7) . . ?
C65 C84 C72 107.7(6) . . ?
C72 C84 Rh2 70.0(3) . . ?
C72 C84 C49 124.0(7) . . ?
C2 C85 H85 120.4 . . ?
C79 C85 C2 119.2(7) . . ?
C79 C85 H85 120.4 . . ?
C46 C86 C76 120.3(6) . . ?
C46 C86 H86 119.8 . . ?
C76 C86 H86 119.8 . . ?
O7 C88 N2 121.5(7) . . ?
O7 C88 C60 120.5(7) . . ?
N2 C88 C60 118.0(6) . . ?
C35 C90 C60 120.3(7) . . ?
C35 C90 H90 119.9 . . ?
C60 C90 H90 119.9 . . ?
C59 C96 Rh3 69.7(4) . . ?
C59 C96 C77 108.6(6) . . ?
C59 C96 C99 125.8(7) . . ?
C77 C96 Rh3 70.0(4) . . ?
C77 C96 C99 125.6(7) . . ?
C99 C96 Rh3 126.3(5) . . ?
C96 C99 H99A 109.5 . . ?
C96 C99 H99B 109.5 . . ?
C96 C99 H99C 109.5 . . ?
H99A C99 H99B 109.5 . . ?
H99A C99 H99C 109.5 . . ?
H99B C99 H99C 109.5 . . ?
C60 C100 H100 119.4 . . ?
C70 C100 C60 121.3(6) . . ?
C70 C100 H100 119.4 . . ?
N5 C101 C79 108.8(6) . . ?
N5 C101 H10D 109.9 . . ?
N5 C101 H10E 109.9 . . ?
C79 C101 H10D 109.9 . . ?
C79 C101 H10E 109.9 . . ?
H10D C101 H10E 108.3 . . ?
C3 C102 Rh3 124.1(5) . . ?
C59 C102 Rh3 69.4(4) . . ?
C59 C102 C3 126.1(7) . . ?
C74 C102 Rh3 71.3(4) . . ?
C74 C102 C3 126.0(7) . . ?
C74 C102 C59 107.8(6) . . ?
C41 C104 H104 120.0 . . ?
C80 C104 C41 120.1(6) . . ?
C80 C104 H104 120.0 . . ?
C64 C105 H10F 109.5 . . ?
C64 C105 H10G 109.5 . . ?
C64 C105 H10H 109.5 . . ?
H10F C105 H10G 109.5 . . ?
H10F C105 H10H 109.5 . . ?
H10G C105 H10H 109.5 . . ?
O24 C106 N8 120.4(5) . . ?
O24 C106 C14 123.9(6) . . ?
N8 C106 C14 115.7(5) . . ?
C59 C107 H10I 109.5 . . ?
C59 C107 H10J 109.5 . . ?
C59 C107 H10K 109.5 . . ?
H10I C107 H10J 109.5 . . ?
H10I C107 H10K 109.5 . . ?
H10J C107 H10K 109.5 . . ?
C51 C110 Rh2 121.0(4) . . ?
C64 C110 Rh2 72.0(3) . . ?
C64 C110 C51 124.2(7) . . ?
C72 C110 Rh2 70.6(3) . . ?
C72 C110 C51 128.2(7) . . ?
C72 C110 C64 107.6(6) . . ?
O25 S3 O13 106.1(7) . . ?
O25 S3 C111 102.1(9) . . ?
O27 S3 O13 127.0(9) . . ?
O27 S3 O25 126.8(10) . . ?
O27 S3 C111 101.1(10) . . ?
C111 S3 O13 60.9(8) . . ?
C111 O13 S3 53.3(6) . . ?
S3 C111 O13 65.8(8) . . ?
F3 C111 S3 121.0(13) . . ?
F3 C111 F7 95.8(14) . . ?
F3 C111 F9 107.5(13) . . ?
F3 C111 O13 102.4(15) . . ?
F7 C111 S3 104.6(12) . . ?
F7 C111 O13 161.8(14) . . ?
F9 C111 S3 130.2(14) . . ?
F9 C111 F7 79.8(13) . . ?
F9 C111 O13 94.6(14) . . ?
O3 S2 C55 99.0(8) . . ?
O11 S2 O3 110.7(9) . . ?
O11 S2 C55 111.7(6) . . ?
O23 S2 O3 88.0(9) . . ?
O23 S2 O11 122.8(7) . . ?
O23 S2 C55 118.1(7) . . ?
F2 C55 S2 108.7(10) . . ?
F2 C55 F5 133.9(15) . . ?
F2 C55 F11 88.9(11) . . ?
F5 C55 S2 94.2(10) . . ?
F5 C55 F11 125.8(15) . . ?
F11 C55 S2 101.6(10) . . ?
O5 S1 O17 116.5(5) . . ?
O5 S1 O28 114.7(5) . . ?
O5 S1 C4 102.3(3) . . ?
O17 S1 O28 113.4(3) . . ?
O17 S1 C4 104.7(4) . . ?
O28 S1 C4 102.9(3) . . ?
F1 C4 S1 110.1(4) . . ?
F4 C4 S1 110.5(4) . . ?
F4 C4 F1 105.6(5) . . ?
F6 C4 S1 112.2(5) . . ?
F6 C4 F1 108.9(6) . . ?
F6 C4 F4 109.2(6) . . ?
O9 S4 O19 113.6(4) . . ?
O9 S4 C109 102.4(6) . . ?
O19 S4 C109 104.0(5) . . ?
O21 S4 O9 115.3(5) . . ?
O21 S4 O19 115.6(5) . . ?
O21 S4 C109 103.6(6) . . ?
F8 C109 S4 110.9(7) . . ?
F10 C109 S4 109.3(10) . . ?
F10 C109 F8 106.8(9) . . ?
F12 C109 S4 112.1(8) . . ?
F12 C109 F8 109.8(12) . . ?
F12 C109 F10 107.7(9) . . ?

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 O16 N6 C18 -168.4(4) . . . . ?
Rh1 O16 N6 C42 9.5(6) . . . . ?
Rh1 O18 C42 N6 -9.7(6) . . . . ?
Rh1 O18 C42 C24 168.4(4) . . . . ?
Rh1 N10 C63 C75 171.0(5) . . . . ?
Rh1 N10 C108 C9 -170.8(6) . . . . ?
Rh1 C44 C48 C94 59.7(4) . . . . ?
Rh1 C44 C48 C98 -120.2(6) . . . . ?
Rh1 C44 C62 C56 -63.4(4) . . . . ?
Rh1 C44 C62 C71 122.3(6) . . . . ?
Rh1 C48 C94 C56 62.1(4) . . . . ?
Rh1 C48 C94 C93 -122.0(6) . . . . ?
Rh1 C56 C62 C44 63.1(4) . . . . ?
Rh1 C56 C62 C71 -122.5(6) . . . . ?
Rh1 C56 C94 C48 -61.8(4) . . . . ?
Rh1 C56 C94 C93 122.4(7) . . . . ?
Rh4 O4 N1 C16 -3.2(6) . . . . ?
Rh4 O4 N1 C22 175.3(3) . . . . ?
Rh4 O8 C16 N1 2.9(6) . . . . ?
Rh4 O8 C16 C34 -177.1(4) . . . . ?
Rh4 N3 C81 C95 -175.6(5) . . . . ?
Rh4 N3 C89 C91 175.8(6) . . . . ?
Rh4 C31 C67 C82 -59.4(4) . . . . ?
Rh4 C31 C67 C103 119.3(7) . . . . ?
Rh4 C31 C92 C13 -118.1(6) . . . . ?
Rh4 C31 C92 C66 60.0(4) . . . . ?
Rh4 C66 C82 C67 62.3(4) . . . . ?
Rh4 C66 C82 C87 -120.2(7) . . . . ?
Rh4 C66 C92 C13 118.8(6) . . . . ?
Rh4 C66 C92 C31 -59.3(4) . . . . ?
Rh4 C67 C82 C66 -61.8(4) . . . . ?
Rh4 C67 C82 C87 120.6(7) . . . . ?
O4 N1 C16 O8 0.3(8) . . . . ?
O4 N1 C16 C34 -179.8(4) . . . . ?
O4 N1 C22 O20 4.9(7) . . . . ?
O4 N1 C22 C8 -175.4(4) . . . . ?
O8 C16 C34 C6 176.1(5) . . . . ?
O8 C16 C34 C26 -4.2(8) . . . . ?
O15 C19 C112 C15 22.5(10) . . . . ?
O15 C19 C112 C61 -151.4(7) . . . . ?
O16 N6 C18 O22 -3.6(8) . . . . ?
O16 N6 C18 C32 178.8(5) . . . . ?
O16 N6 C42 O18 0.3(8) . . . . ?
O16 N6 C42 C24 -177.9(5) . . . . ?
O22 C18 C32 C28 -179.8(6) . . . . ?
O22 C18 C32 C50 2.8(9) . . . . ?
O26 C17 C68 C33 -18.3(9) . . . . ?
O26 C17 C68 C54 163.4(6) . . . . ?
N1 C16 C34 C6 -3.9(7) . . . . ?
N1 C16 C34 C26 175.8(5) . . . . ?
N3 C81 C95 C5 0.1(12) . . . . ?
N3 C89 C91 C5 -0.3(13) . . . . ?
N6 C18 C32 C28 -2.2(8) . . . . ?
N6 C18 C32 C50 -179.7(5) . . . . ?
N9 C17 C68 C33 162.7(6) . . . . ?
N9 C17 C68 C54 -15.6(9) . . . . ?
N10 C63 C75 C7 0.6(11) . . . . ?
N11 C19 C112 C15 -161.7(6) . . . . ?
N11 C19 C112 C61 24.4(10) . . . . ?
C6 C8 C22 O20 173.7(5) . . . . ?
C6 C8 C22 N1 -6.0(7) . . . . ?
C6 C8 C30 C40 -1.0(8) . . . . ?
C6 C28 C32 C18 -175.1(5) . . . . ?
C6 C28 C32 C50 2.4(8) . . . . ?
C7 C9 C108 N10 -1.5(11) . . . . ?
C8 C6 C28 C24 -0.6(7) . . . . ?
C8 C6 C28 C32 177.3(5) . . . . ?
C8 C6 C34 C16 0.9(7) . . . . ?
C8 C6 C34 C26 -178.8(5) . . . . ?
C8 C30 C40 C24 -1.2(8) . . . . ?
C9 C7 C75 C63 -0.1(10) . . . . ?
C9 C7 C97 N9 80.0(9) . . . . ?
C11 C56 C62 Rh1 119.8(7) . . . . ?
C11 C56 C62 C44 -177.1(6) . . . . ?
C11 C56 C62 C71 -2.8(10) . . . . ?
C11 C56 C94 Rh1 -120.5(7) . . . . ?
C11 C56 C94 C48 177.7(6) . . . . ?
C11 C56 C94 C93 1.9(11) . . . . ?
C15 C54 C68 C17 175.8(6) . . . . ?
C15 C54 C68 C33 -2.4(9) . . . . ?
C16 N1 C22 O20 -176.6(5) . . . . ?
C16 N1 C22 C8 3.1(8) . . . . ?
C17 N9 C97 C7 95.1(8) . . . . ?
C18 N6 C42 O18 177.9(5) . . . . ?
C18 N6 C42 C24 -0.3(8) . . . . ?
C18 C32 C50 C26 177.4(5) . . . . ?
C19 N11 C45 C5 63.5(10) . . . . ?
C22 N1 C16 O8 -178.2(5) . . . . ?
C22 N1 C16 C34 1.8(8) . . . . ?
C22 C8 C30 C40 177.0(5) . . . . ?
C24 C28 C32 C18 2.8(8) . . . . ?
C24 C28 C32 C50 -179.8(5) . . . . ?
C28 C6 C8 C22 -176.1(5) . . . . ?
C28 C6 C8 C30 2.0(7) . . . . ?
C28 C6 C34 C16 -178.8(5) . . . . ?
C28 C6 C34 C26 1.4(7) . . . . ?
C28 C24 C40 C30 2.6(8) . . . . ?
C28 C24 C42 O18 -177.4(5) . . . . ?
C28 C24 C42 N6 0.6(8) . . . . ?
C28 C32 C50 C26 -0.1(8) . . . . ?
C30 C8 C22 O20 -4.4(9) . . . . ?
C30 C8 C22 N1 175.9(5) . . . . ?
C31 C67 C82 Rh4 59.4(4) . . . . ?
C31 C67 C82 C66 -2.4(7) . . . . ?
C31 C67 C82 C87 180.0(6) . . . . ?
C33 C61 C112 C15 -3.1(10) . . . . ?
C33 C61 C112 C19 170.7(6) . . . . ?
C34 C6 C8 C22 4.2(7) . . . . ?
C34 C6 C8 C30 -177.8(5) . . . . ?
C34 C6 C28 C24 179.1(5) . . . . ?
C34 C6 C28 C32 -3.0(7) . . . . ?
C34 C26 C50 C32 -1.5(9) . . . . ?
C40 C24 C28 C6 -1.6(8) . . . . ?
C40 C24 C28 C32 -179.5(5) . . . . ?
C40 C24 C42 O18 0.1(8) . . . . ?
C40 C24 C42 N6 178.2(5) . . . . ?
C42 N6 C18 O22 178.7(6) . . . . ?
C42 N6 C18 C32 1.0(8) . . . . ?
C42 C24 C28 C6 176.0(5) . . . . ?
C42 C24 C28 C32 -1.9(8) . . . . ?
C42 C24 C40 C30 -175.0(5) . . . . ?
C44 C48 C94 Rh1 -60.5(4) . . . . ?
C44 C48 C94 C56 1.6(7) . . . . ?
C44 C48 C94 C93 177.5(6) . . . . ?
C45 N11 C19 O15 10.0(11) . . . . ?
C45 N11 C19 C112 -165.8(6) . . . . ?
C45 C5 C91 C89 178.3(7) . . . . ?
C45 C5 C95 C81 -178.2(7) . . . . ?
C47 C66 C82 Rh4 120.8(6) . . . . ?
C47 C66 C82 C67 -176.9(6) . . . . ?
C47 C66 C82 C87 0.6(10) . . . . ?
C47 C66 C92 Rh4 -122.0(7) . . . . ?
C47 C66 C92 C13 -3.2(11) . . . . ?
C47 C66 C92 C31 178.6(6) . . . . ?
C48 C44 C62 Rh1 60.2(4) . . . . ?
C48 C44 C62 C56 -3.2(6) . . . . ?
C48 C44 C62 C71 -177.5(6) . . . . ?
C50 C26 C34 C6 0.8(8) . . . . ?
C50 C26 C34 C16 -178.9(5) . . . . ?
C53 C31 C67 Rh4 -123.3(7) . . . . ?
C53 C31 C67 C82 177.2(7) . . . . ?
C53 C31 C67 C103 -4.0(11) . . . . ?
C53 C31 C92 Rh4 123.2(7) . . . . ?
C53 C31 C92 C13 5.0(10) . . . . ?
C53 C31 C92 C66 -176.8(6) . . . . ?
C54 C15 C112 C19 -170.4(6) . . . . ?
C54 C15 C112 C61 3.7(10) . . . . ?
C57 C44 C48 Rh1 119.5(6) . . . . ?
C57 C44 C48 C94 179.2(6) . . . . ?
C57 C44 C48 C98 -0.7(10) . . . . ?
C57 C44 C62 Rh1 -118.0(6) . . . . ?
C57 C44 C62 C56 178.6(5) . . . . ?
C57 C44 C62 C71 4.3(10) . . . . ?
C61 C33 C68 C17 -175.4(6) . . . . ?
C61 C33 C68 C54 3.0(10) . . . . ?
C62 C44 C48 Rh1 -58.7(4) . . . . ?
C62 C44 C48 C94 1.0(6) . . . . ?
C62 C44 C48 C98 -178.9(6) . . . . ?
C62 C56 C94 Rh1 58.2(4) . . . . ?
C62 C56 C94 C48 -3.6(7) . . . . ?
C62 C56 C94 C93 -179.5(6) . . . . ?
C63 N10 C108 C9 2.0(10) . . . . ?
C67 C31 C92 Rh4 -62.3(4) . . . . ?
C67 C31 C92 C13 179.6(6) . . . . ?
C67 C31 C92 C66 -2.3(7) . . . . ?
C68 C33 C61 C112 -0.2(10) . . . . ?
C75 C7 C9 C108 0.5(11) . . . . ?
C75 C7 C97 N9 -98.3(8) . . . . ?
C81 N3 C89 C91 -1.1(11) . . . . ?
C82 C66 C92 Rh4 60.1(4) . . . . ?
C82 C66 C92 C13 178.9(6) . . . . ?
C82 C66 C92 C31 0.8(7) . . . . ?
C89 N3 C81 C95 1.2(10) . . . . ?
C91 C5 C45 N11 -115.7(9) . . . . ?
C91 C5 C95 C81 -1.5(11) . . . . ?
C92 C31 C67 Rh4 62.4(4) . . . . ?
C92 C31 C67 C82 2.9(7) . . . . ?
C92 C31 C67 C103 -178.3(7) . . . . ?
C92 C66 C82 Rh4 -61.2(4) . . . . ?
C92 C66 C82 C67 1.0(7) . . . . ?
C92 C66 C82 C87 178.6(6) . . . . ?
C94 C56 C62 Rh1 -58.9(4) . . . . ?
C94 C56 C62 C44 4.2(7) . . . . ?
C94 C56 C62 C71 178.6(6) . . . . ?
C95 C5 C45 N11 60.9(10) . . . . ?
C95 C5 C91 C89 1.5(12) . . . . ?
C97 N9 C17 O26 3.2(10) . . . . ?
C97 N9 C17 C68 -177.9(5) . . . . ?
C97 C7 C9 C108 -177.9(7) . . . . ?
C97 C7 C75 C63 178.3(6) . . . . ?
C98 C48 C94 Rh1 119.4(6) . . . . ?
C98 C48 C94 C56 -178.5(6) . . . . ?
C98 C48 C94 C93 -2.7(10) . . . . ?
C103 C67 C82 Rh4 -119.3(7) . . . . ?
C103 C67 C82 C66 178.9(7) . . . . ?
C103 C67 C82 C87 1.3(11) . . . . ?
C108 N10 C63 C75 -1.5(10) . . . . ?
C112 C15 C54 C68 -0.9(9) . . . . ?
Rh2 O1 C20 N8 -1.9(6) . . . . ?
Rh2 O1 C20 C46 179.7(4) . . . . ?
Rh2 O12 N8 C20 9.2(6) . . . . ?
Rh2 O12 N8 C106 -172.2(4) . . . . ?
Rh2 N12 C2 C85 -171.3(5) . . . . ?
Rh2 N12 C73 C21 171.9(6) . . . . ?
Rh2 C64 C65 C25 -119.7(7) . . . . ?
Rh2 C64 C65 C84 60.3(4) . . . . ?
Rh2 C64 C110 C51 115.7(6) . . . . ?
Rh2 C64 C110 C72 -62.0(4) . . . . ?
Rh2 C65 C84 C49 -123.8(7) . . . . ?
Rh2 C65 C84 C72 60.9(4) . . . . ?
Rh2 C72 C84 C49 122.6(6) . . . . ?
Rh2 C72 C84 C65 -61.8(4) . . . . ?
Rh2 C72 C110 C51 -114.7(6) . . . . ?
Rh2 C72 C110 C64 62.9(4) . . . . ?
Rh3 O10 C52 N4 -7.7(7) . . . . ?
Rh3 O10 C52 C36 170.8(4) . . . . ?
Rh3 O14 N4 C38 -174.8(4) . . . . ?
Rh3 O14 N4 C52 2.2(6) . . . . ?
Rh3 N7 C37 C69 173.5(5) . . . . ?
Rh3 N7 C41 C104 -173.7(5) . . . . ?
Rh3 C59 C96 C77 -59.4(4) . . . . ?
Rh3 C59 C96 C99 120.8(7) . . . . ?
Rh3 C59 C102 C3 -117.9(6) . . . . ?
Rh3 C59 C102 C74 61.3(4) . . . . ?
Rh3 C74 C77 C27 -121.0(6) . . . . ?
Rh3 C74 C77 C96 61.6(4) . . . . ?
Rh3 C74 C102 C3 119.1(6) . . . . ?
Rh3 C74 C102 C59 -60.1(4) . . . . ?
Rh3 C77 C96 C59 59.2(4) . . . . ?
Rh3 C77 C96 C99 -121.0(7) . . . . ?
O1 C20 C46 C1 -179.8(5) . . . . ?
O1 C20 C46 C86 0.2(8) . . . . ?
O12 N8 C20 O1 -5.1(8) . . . . ?
O12 N8 C20 C46 173.4(5) . . . . ?
O12 N8 C106 O24 5.0(8) . . . . ?
O12 N8 C106 C14 -174.2(4) . . . . ?
O14 N4 C38 O6 -3.0(8) . . . . ?
O14 N4 C38 C12 177.7(4) . . . . ?
O14 N4 C52 O10 3.8(8) . . . . ?
O14 N4 C52 C36 -174.7(5) . . . . ?
N7 C37 C69 C80 -0.4(11) . . . . ?
N7 C41 C104 C80 0.5(10) . . . . ?
N8 C20 C46 C1 1.8(8) . . . . ?
N8 C20 C46 C86 -178.3(5) . . . . ?
N12 C2 C85 C79 -0.8(10) . . . . ?
C1 C10 C12 C38 -174.6(5) . . . . ?
C1 C10 C12 C76 0.5(8) . . . . ?
C1 C10 C36 C52 177.5(5) . . . . ?
C1 C10 C36 C78 1.7(8) . . . . ?
C1 C14 C58 C78 1.0(8) . . . . ?
C1 C14 C106 O24 -179.6(6) . . . . ?
C1 C14 C106 N8 -0.3(7) . . . . ?
C1 C46 C86 C76 0.3(9) . . . . ?
C2 N12 C73 C21 -2.1(11) . . . . ?
C10 C1 C14 C58 0.0(8) . . . . ?
C10 C1 C14 C106 179.0(5) . . . . ?
C10 C1 C46 C20 -179.7(5) . . . . ?
C10 C1 C46 C86 0.4(8) . . . . ?
C10 C12 C38 O6 176.7(5) . . . . ?
C10 C12 C38 N4 -4.0(7) . . . . ?
C10 C12 C76 C86 0.1(9) . . . . ?
C10 C36 C52 O10 179.8(5) . . . . ?
C10 C36 C52 N4 -1.7(8) . . . . ?
C10 C36 C78 C58 -0.8(8) . . . . ?
C12 C10 C36 C52 -1.4(8) . . . . ?
C12 C10 C36 C78 -177.2(5) . . . . ?
C12 C76 C86 C46 -0.5(9) . . . . ?
C14 C1 C10 C12 177.7(5) . . . . ?
C14 C1 C10 C36 -1.3(7) . . . . ?
C14 C1 C46 C20 1.9(8) . . . . ?
C14 C1 C46 C86 -178.0(5) . . . . ?
C14 C58 C78 C36 -0.6(9) . . . . ?
C20 N8 C106 O24 -176.5(6) . . . . ?
C20 N8 C106 C14 4.3(8) . . . . ?
C20 C46 C86 C76 -179.6(5) . . . . ?
C21 C79 C85 C2 -0.9(10) . . . . ?
C21 C79 C101 N5 -100.6(9) . . . . ?
C23 C72 C84 Rh2 -121.6(6) . . . . ?
C23 C72 C84 C49 1.1(10) . . . . ?
C23 C72 C84 C65 176.7(6) . . . . ?
C23 C72 C110 Rh2 121.2(6) . . . . ?
C23 C72 C110 C51 6.5(10) . . . . ?
C23 C72 C110 C64 -175.9(6) . . . . ?
C25 C65 C84 Rh2 119.1(6) . . . . ?
C25 C65 C84 C49 -4.7(11) . . . . ?
C25 C65 C84 C72 179.9(6) . . . . ?
C27 C77 C96 Rh3 121.2(7) . . . . ?
C27 C77 C96 C59 -179.5(6) . . . . ?
C27 C77 C96 C99 0.2(11) . . . . ?
C29 C35 C90 C60 -1.0(10) . . . . ?
C29 C70 C100 C60 -0.3(9) . . . . ?
C35 C29 C39 O2 28.8(9) . . . . ?
C35 C29 C39 N5 -148.0(7) . . . . ?
C35 C29 C70 C100 0.6(9) . . . . ?
C36 C10 C12 C38 4.3(8) . . . . ?
C36 C10 C12 C76 179.4(5) . . . . ?
C37 N7 C41 C104 1.3(10) . . . . ?
C37 C69 C80 C83 179.0(7) . . . . ?
C37 C69 C80 C104 2.0(10) . . . . ?
C38 N4 C52 O10 -179.6(5) . . . . ?
C38 N4 C52 C36 1.9(8) . . . . ?
C38 C12 C76 C86 175.2(5) . . . . ?
C39 N5 C101 C79 -94.4(9) . . . . ?
C39 C29 C35 C90 176.0(6) . . . . ?
C39 C29 C70 C100 -175.1(6) . . . . ?
C41 N7 C37 C69 -1.3(10) . . . . ?
C43 C74 C77 Rh3 117.6(6) . . . . ?
C43 C74 C77 C27 -3.4(10) . . . . ?
C43 C74 C77 C96 179.2(6) . . . . ?
C43 C74 C102 Rh3 -117.9(7) . . . . ?
C43 C74 C102 C3 1.1(10) . . . . ?
C43 C74 C102 C59 -178.0(6) . . . . ?
C46 C1 C10 C12 -0.8(7) . . . . ?
C46 C1 C10 C36 -179.7(5) . . . . ?
C46 C1 C14 C58 178.3(5) . . . . ?
C46 C1 C14 C106 -2.6(8) . . . . ?
C52 N4 C38 O6 -179.7(5) . . . . ?
C52 N4 C38 C12 1.0(8) . . . . ?
C52 C36 C78 C58 -176.5(5) . . . . ?
C58 C14 C106 O24 -0.5(9) . . . . ?
C58 C14 C106 N8 178.7(5) . . . . ?
C64 C65 C84 Rh2 -60.9(4) . . . . ?
C64 C65 C84 C49 175.3(6) . . . . ?
C64 C65 C84 C72 0.0(7) . . . . ?
C65 C64 C110 Rh2 60.1(4) . . . . ?
C65 C64 C110 C51 175.9(6) . . . . ?
C65 C64 C110 C72 -1.8(6) . . . . ?
C69 C80 C83 N2 -102.1(8) . . . . ?
C69 C80 C104 C41 -2.1(10) . . . . ?
C70 C29 C35 C90 0.0(9) . . . . ?
C70 C29 C39 O2 -155.5(7) . . . . ?
C70 C29 C39 N5 27.7(9) . . . . ?
C73 N12 C2 C85 2.3(10) . . . . ?
C73 C21 C79 C85 1.1(11) . . . . ?
C73 C21 C79 C101 175.9(7) . . . . ?
C74 C77 C96 Rh3 -61.5(4) . . . . ?
C74 C77 C96 C59 -2.2(7) . . . . ?
C74 C77 C96 C99 177.5(6) . . . . ?
C76 C12 C38 O6 1.5(9) . . . . ?
C76 C12 C38 N4 -179.2(5) . . . . ?
C77 C74 C102 Rh3 59.4(4) . . . . ?
C77 C74 C102 C3 178.5(6) . . . . ?
C77 C74 C102 C59 -0.7(7) . . . . ?
C78 C36 C52 O10 -4.4(9) . . . . ?
C78 C36 C52 N4 174.1(5) . . . . ?
C79 C21 C73 N12 0.4(12) . . . . ?
C83 N2 C88 O7 3.2(10) . . . . ?
C83 N2 C88 C60 -175.3(5) . . . . ?
C83 C80 C104 C41 -179.1(6) . . . . ?
C84 C72 C110 Rh2 -61.0(4) . . . . ?
C84 C72 C110 C51 -175.8(6) . . . . ?
C84 C72 C110 C64 1.8(6) . . . . ?
C85 C79 C101 N5 74.1(10) . . . . ?
C88 N2 C83 C80 84.7(8) . . . . ?
C88 C60 C90 C35 -179.2(5) . . . . ?
C88 C60 C100 C70 179.8(5) . . . . ?
C90 C60 C88 O7 -12.0(9) . . . . ?
C90 C60 C88 N2 166.5(6) . . . . ?
C90 C60 C100 C70 -0.7(9) . . . . ?
C96 C59 C102 Rh3 -62.0(4) . . . . ?
C96 C59 C102 C3 -179.9(6) . . . . ?
C96 C59 C102 C74 -0.7(7) . . . . ?
C100 C60 C88 O7 167.5(6) . . . . ?
C100 C60 C88 N2 -13.9(9) . . . . ?
C100 C60 C90 C35 1.3(9) . . . . ?
C101 N5 C39 O2 -10.7(11) . . . . ?
C101 N5 C39 C29 165.9(6) . . . . ?
C101 C79 C85 C2 -175.8(6) . . . . ?
C102 C59 C96 Rh3 61.3(4) . . . . ?
C102 C59 C96 C77 1.8(7) . . . . ?
C102 C59 C96 C99 -177.9(6) . . . . ?
C102 C74 C77 Rh3 -59.8(4) . . . . ?
C102 C74 C77 C27 179.2(6) . . . . ?
C102 C74 C77 C96 1.8(7) . . . . ?
C104 C80 C83 N2 74.8(8) . . . . ?
C105 C64 C65 Rh2 125.3(6) . . . . ?
C105 C64 C65 C25 5.6(10) . . . . ?
C105 C64 C65 C84 -174.4(6) . . . . ?
C105 C64 C110 Rh2 -124.1(6) . . . . ?
C105 C64 C110 C51 -8.4(9) . . . . ?
C105 C64 C110 C72 173.9(6) . . . . ?
C106 N8 C20 O1 176.4(5) . . . . ?
C106 N8 C20 C46 -5.1(8) . . . . ?
C106 C14 C58 C78 -178.1(5) . . . . ?
C107 C59 C96 Rh3 -119.3(7) . . . . ?
C107 C59 C96 C77 -178.7(6) . . . . ?
C107 C59 C96 C99 1.5(11) . . . . ?
C107 C59 C102 Rh3 118.5(6) . . . . ?
C107 C59 C102 C3 0.6(10) . . . . ?
C107 C59 C102 C74 179.8(6) . . . . ?
C110 C64 C65 Rh2 -59.1(4) . . . . ?
C110 C64 C65 C25 -178.8(6) . . . . ?
C110 C64 C65 C84 1.1(7) . . . . ?
C110 C72 C84 Rh2 60.6(4) . . . . ?
C110 C72 C84 C49 -176.7(6) . . . . ?
C110 C72 C84 C65 -1.1(7) . . . . ?
S3 O13 C111 F3 118.6(13) . . . . ?
S3 O13 C111 F7 -61(4) . . . . ?
S3 O13 C111 F9 -132.4(13) . . . . ?
O13 S3 C111 F3 -90.3(19) . . . . ?
O13 S3 C111 F7 163.6(14) . . . . ?
O13 S3 C111 F9 75(2) . . . . ?
O25 S3 O13 C111 95.2(10) . . . . ?
O25 S3 C111 F3 167.9(16) . . . . ?
O25 S3 C111 F7 61.8(12) . . . . ?
O25 S3 C111 F9 -27(2) . . . . ?
O25 S3 C111 O13 -101.8(8) . . . . ?
O27 S3 O13 C111 -81.7(13) . . . . ?
O27 S3 C111 F3 36(2) . . . . ?
O27 S3 C111 F7 -70.0(13) . . . . ?
O27 S3 C111 F9 -159(2) . . . . ?
O27 S3 C111 O13 126.4(10) . . . . ?
O3 S2 C55 F2 35.8(14) . . . . ?
O3 S2 C55 F5 175.2(12) . . . . ?
O3 S2 C55 F11 -56.9(12) . . . . ?
O11 S2 C55 F2 152.5(11) . . . . ?
O11 S2 C55 F5 -68.2(12) . . . . ?
O11 S2 C55 F11 59.7(11) . . . . ?
O23 S2 C55 F2 -56.8(14) . . . . ?
O23 S2 C55 F5 82.6(13) . . . . ?
O23 S2 C55 F11 -149.5(11) . . . . ?
O5 S1 C4 F1 54.1(6) . . . . ?
O5 S1 C4 F4 -62.2(6) . . . . ?
O5 S1 C4 F6 175.7(6) . . . . ?
O17 S1 C4 F1 -67.8(6) . . . . ?
O17 S1 C4 F4 175.9(5) . . . . ?
O17 S1 C4 F6 53.8(6) . . . . ?
O28 S1 C4 F1 173.4(5) . . . . ?
O28 S1 C4 F4 57.1(5) . . . . ?
O28 S1 C4 F6 -65.0(6) . . . . ?
O9 S4 C109 F8 60.0(9) . . . . ?
O9 S4 C109 F10 177.5(7) . . . . ?
O9 S4 C109 F12 -63.1(10) . . . . ?
O19 S4 C109 F8 -58.6(9) . . . . ?
O19 S4 C109 F10 59.0(8) . . . . ?
O19 S4 C109 F12 178.3(9) . . . . ?
O21 S4 C109 F8 -179.8(8) . . . . ?
O21 S4 C109 F10 -62.3(8) . . . . ?
O21 S4 C109 F12 57.1(10) . . . . ?

_smtbx_masks_special_details     
;
A solvent mask was calculated and 650 electrons were 
found in a volume of 2674Å³ in 2 voids per unit cell. 
This is consistent with the presence of 
1[CH3OH], 8[CH3OH] per Asymmetric Unit 
which account for 648 electrons 
per unit cell.
;
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.000 0.000 135.0 36.9 '2 CH3OH'
2 0.135 0.151 0.436 600.6 144.1 '8 CH3OH'
3 -0.365 0.349 -0.064 600.6 145.7 '8 CH3OH'
4 0.365 0.651 0.064 600.6 145.9 '8 CH3OH'
5 -0.135 0.849 0.564 600.6 147.5 '8 CH3OH'
6 0.500 0.500 0.500 135.0 36.9 '2 CH3OH'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_ga231119a_a
_database_code_depnum_ccdc_archive 'CCDC 2345680'
loop_
_audit_author_name
_audit_author_address
'Huijun Feng'
;Shanxi Normal University
China
;
_audit_update_record             
;
2024-04-04 deposited with the CCDC.	2024-06-19 downloaded from the CCDC.
;
_audit_creation_date             2023-11-22
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C108 H112 N16 O4 Rh4, 4(C F3 O3 S), 2[C3H7NO], 2.8[H2O]'
_chemical_formula_sum            'C118 H131.60 F12 N18 O20.80 Rh4 S4'
_chemical_formula_weight         2902.68
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 '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'
F F 0.0599 0.0411 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -0.0161 2.8414 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.2924 0.4247 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.7842(9)
_cell_length_b                   13.3300(10)
_cell_length_c                   20.9500(15)
_cell_angle_alpha                74.895(4)
_cell_angle_beta                 72.246(3)
_cell_angle_gamma                70.170(3)
_cell_volume                     3148.9(4)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    9882
_cell_measurement_temperature    173.00
_cell_measurement_theta_max      54.641
_cell_measurement_theta_min      3.115
_shelx_estimated_absorpt_T_max   0.523
_shelx_estimated_absorpt_T_min   0.523
_exptl_absorpt_coefficient_mu    3.728
_exptl_absorpt_correction_T_max  0.7508
_exptl_absorpt_correction_T_min  0.2888
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1653 before and 0.0881 after correction.
The Ratio of minimum to maximum transmission is 0.3847.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.531
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1484
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0788
_diffrn_reflns_av_unetI/netI     0.0896
_diffrn_reflns_Laue_measured_fraction_full 0.981
_diffrn_reflns_Laue_measured_fraction_max 0.972
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            28559
_diffrn_reflns_point_group_measured_fraction_full 0.981
_diffrn_reflns_point_group_measured_fraction_max 0.972
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         55.104
_diffrn_reflns_theta_min         3.114
_diffrn_ambient_temperature      173.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_source                   ?
_diffrn_source_current           2.85
_diffrn_source_power             0.1992435
_diffrn_source_voltage           69.91
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7708
_reflns_number_total             11723
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         2.094
_refine_diff_density_min         -1.821
_refine_diff_density_rms         0.146
_refine_ls_extinction_coef       .
_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_parameters     763
_refine_ls_number_reflns         11723
_refine_ls_number_restraints     803
_refine_ls_R_factor_all          0.1528
_refine_ls_R_factor_gt           0.1046
_refine_ls_restrained_S_all      1.069
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0100P)²+40.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2091
_refine_ls_wR_factor_ref         0.2365
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 S1-C56
 1.7 with sigma of 0.02
3. Rigid bond restraints
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 2A
Uanis(Rh3) = Uanis(Rh1)
5. Others
 Sof(Rh1)=1-FVAR(1)
 Sof(Rh3)=FVAR(1)
 Sof(Rh4)=1-FVAR(2)
 Sof(Rh2)=FVAR(2)
6.a Secondary CH2 refined with riding coordinates:
 C16(H16A,H16B), C25(H25A,H25B)
6.b Aromatic/amide H refined with riding coordinates:
 N2(H2), N3(H3), C11(H11), C12(H12), C14(H14), C15(H15), C19(H19), C20(H20),
 C22(H22), C23(H23), C27(H27), C28(H28), C29(H29), C30(H30), C32(H32), C33(H33),
  C34(H34), C35(H35), C40(H40), C41(H41), C42(H42), C43(H43)
6.c Idealised Me refined as rotating group:
 C6(H6A,H6B,H6C), C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C10(H10A,
 H10B,H10C), C50(H50A,H50B,H50C), C51(H51A,H51B,H51C), C52(H52A,H52B,H52C),
 C53(H53A,H53B,H53C), C54(H54A,H54B,H54C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 1.67868(7) 0.20826(8) 0.17896(4) 0.0479(3) Uani 0.9355(17) 1 d . U P A 2
Rh2 Rh 0.12578(7) 0.22683(10) 0.72552(5) 0.0463(3) Uani 0.940(3) 1 d . U P B 1
O1 O 1.0659(6) 0.2469(6) 0.2594(4) 0.0630(19) Uani 1 1 d . U . . .
O2 O 0.7653(6) 0.1024(6) 0.6128(4) 0.072(2) Uani 1 1 d . U . . .
N1 N 1.5306(6) 0.1548(7) 0.1968(4) 0.0508(17) Uani 1 1 d . U . . .
N2 N 1.1442(6) 0.0698(7) 0.2936(4) 0.0527(18) Uani 1 1 d . U . . .
H2 H 1.142794 0.013551 0.326698 0.063 Uiso 1 1 calc R U . . .
N3 N 0.6974(6) 0.2835(7) 0.5862(4) 0.0523(18) Uani 1 1 d . U . . .
H3 H 0.696251 0.341497 0.554196 0.063 Uiso 1 1 calc R U . . .
N4 N 0.2941(7) 0.2434(8) 0.7034(4) 0.0597(18) Uani 1 1 d . U . . .
N5 N 0.1580(7) 0.1196(8) 0.8176(4) 0.0538(16) Uani 1 1 d . U . . .
N6 N 0.2279(7) -0.0573(8) 0.8587(4) 0.0579(18) Uani 1 1 d . U . . .
N7 N 0.2092(6) 0.0733(7) 0.6888(4) 0.0496(15) Uani 1 1 d . U . . .
N8 N 0.2885(7) -0.1015(7) 0.7288(4) 0.0544(18) Uani 1 1 d . U . . .
C1 C 1.7096(14) 0.3431(12) 0.2018(7) 0.086(3) Uani 1 1 d . U . . .
C2 C 1.7979(12) 0.3006(12) 0.1467(7) 0.084(3) Uani 1 1 d . U . . .
C3 C 1.7474(12) 0.3156(11) 0.0931(6) 0.076(2) Uani 1 1 d . U . . .
C4 C 1.6307(12) 0.3596(11) 0.1118(6) 0.077(2) Uani 1 1 d . U . . .
C5 C 1.6057(13) 0.3763(11) 0.1829(7) 0.082(2) Uani 1 1 d . U . . .
C6 C 1.7311(16) 0.3495(14) 0.2668(7) 0.116(5) Uani 1 1 d . U . . .
H6A H 1.657940 0.368088 0.300276 0.174 Uiso 1 1 calc R U . . .
H6B H 1.770072 0.405257 0.258202 0.174 Uiso 1 1 calc R U . . .
H6C H 1.779255 0.279284 0.284571 0.174 Uiso 1 1 calc R U . . .
C7 C 1.9246(13) 0.2507(16) 0.1477(9) 0.122(5) Uani 1 1 d . U . . .
H7A H 1.936475 0.259482 0.189744 0.182 Uiso 1 1 calc R U . . .
H7B H 1.971325 0.287223 0.108378 0.182 Uiso 1 1 calc R U . . .
H7C H 1.947063 0.173413 0.145603 0.182 Uiso 1 1 calc R U . . .
C8 C 1.8158(12) 0.2858(13) 0.0229(6) 0.092(4) Uani 1 1 d . U . . .
H8A H 1.862102 0.210024 0.028694 0.138 Uiso 1 1 calc R U . . .
H8B H 1.866086 0.332696 0.000362 0.138 Uiso 1 1 calc R U . . .
H8C H 1.762722 0.295808 -0.005013 0.138 Uiso 1 1 calc R U . . .
C9 C 1.5428(13) 0.3939(12) 0.0717(8) 0.097(4) Uani 1 1 d . U . . .
H9A H 1.569010 0.351294 0.035164 0.146 Uiso 1 1 calc R U . . .
H9B H 1.530637 0.470925 0.051850 0.146 Uiso 1 1 calc R U . . .
H9C H 1.470764 0.381998 0.101532 0.146 Uiso 1 1 calc R U . . .
C10 C 1.4903(15) 0.4287(12) 0.2230(8) 0.120(5) Uani 1 1 d . U . . .
H10A H 1.431461 0.428266 0.202189 0.179 Uiso 1 1 calc R U . . .
H10B H 1.485116 0.503685 0.223290 0.179 Uiso 1 1 calc R U . . .
H10C H 1.478582 0.388780 0.269769 0.179 Uiso 1 1 calc R U . . .
C11 C 1.5044(9) 0.1316(10) 0.1462(6) 0.060(2) Uani 1 1 d . U . . .
H11 H 1.554071 0.137603 0.102053 0.071 Uiso 1 1 calc R U . . .
C12 C 1.4088(8) 0.0996(9) 0.1554(5) 0.059(2) Uani 1 1 d . U . . .
H12 H 1.393761 0.083589 0.118075 0.070 Uiso 1 1 calc R U . . .
C13 C 1.3332(8) 0.0904(9) 0.2197(5) 0.053(2) Uani 1 1 d . U . . .
C14 C 1.3606(8) 0.1143(9) 0.2719(5) 0.057(2) Uani 1 1 d . U . . .
H14 H 1.312301 0.109430 0.316504 0.069 Uiso 1 1 calc R U . . .
C15 C 1.4596(8) 0.1456(9) 0.2586(5) 0.055(2) Uani 1 1 d . U . . .
H15 H 1.477628 0.161220 0.295025 0.067 Uiso 1 1 calc R U . . .
C16 C 1.2281(8) 0.0560(9) 0.2278(5) 0.053(2) Uani 1 1 d . U . . .
H16A H 1.190336 0.098818 0.190521 0.064 Uiso 1 1 calc R U . . .
H16B H 1.252220 -0.021189 0.223253 0.064 Uiso 1 1 calc R U . . .
C17 C 1.0701(8) 0.1668(9) 0.3036(5) 0.0486(19) Uani 1 1 d . U . . .
C18 C 0.9905(8) 0.1684(8) 0.3721(5) 0.0471(18) Uani 1 1 d . U . . .
C19 C 0.9507(8) 0.2640(9) 0.3980(5) 0.054(2) Uani 1 1 d . U . . .
H19 H 0.973994 0.325690 0.371228 0.065 Uiso 1 1 calc R U . . .
C20 C 0.8769(8) 0.2716(9) 0.4627(5) 0.054(2) Uani 1 1 d . U . . .
H20 H 0.851850 0.337065 0.480112 0.065 Uiso 1 1 calc R U . . .
C21 C 0.8414(8) 0.1837(8) 0.5003(5) 0.0478(18) Uani 1 1 d . U . . .
C22 C 0.8794(9) 0.0897(9) 0.4748(6) 0.059(2) Uani 1 1 d . U . . .
H22 H 0.855258 0.028483 0.501560 0.070 Uiso 1 1 calc R U . . .
C23 C 0.9511(9) 0.0817(9) 0.4119(6) 0.059(2) Uani 1 1 d . U . . .
H23 H 0.974439 0.015771 0.395146 0.071 Uiso 1 1 calc R U . . .
C24 C 0.7646(8) 0.1853(9) 0.5712(5) 0.051(2) Uani 1 1 d . U . . .
C25 C 0.6270(8) 0.2939(9) 0.6548(5) 0.056(2) Uani 1 1 d . U . . .
H25A H 0.614289 0.367936 0.662212 0.067 Uiso 1 1 calc R U . . .
H25B H 0.670170 0.242487 0.687801 0.067 Uiso 1 1 calc R U . . .
C26 C 0.5127(9) 0.2733(9) 0.6700(5) 0.055(2) Uani 1 1 d . U . . .
C27 C 0.4715(9) 0.2534(10) 0.6227(6) 0.061(2) Uani 1 1 d . U . . .
H27 H 0.517019 0.250772 0.577494 0.073 Uiso 1 1 calc R U . . .
C28 C 0.3641(9) 0.2371(10) 0.6401(5) 0.060(2) Uani 1 1 d . U . . .
H28 H 0.338585 0.220991 0.606811 0.072 Uiso 1 1 calc R U . . .
C29 C 0.4418(9) 0.2785(10) 0.7344(5) 0.063(2) Uani 1 1 d . U . . .
H29 H 0.466744 0.294019 0.768067 0.075 Uiso 1 1 calc R U . . .
C30 C 0.3349(9) 0.2613(10) 0.7508(6) 0.063(2) Uani 1 1 d . U . . .
H30 H 0.289446 0.262179 0.796052 0.076 Uiso 1 1 calc R U . . .
C31 C 0.2668(8) 0.0250(9) 0.6324(5) 0.0505(18) Uani 1 1 d . U . . .
C32 C 0.2852(9) 0.0666(10) 0.5639(5) 0.058(2) Uani 1 1 d . U . . .
H32 H 0.250610 0.140419 0.547556 0.070 Uiso 1 1 calc R U . . .
C33 C 0.3571(9) -0.0044(10) 0.5190(6) 0.062(2) Uani 1 1 d . U . . .
H33 H 0.371201 0.021478 0.471289 0.074 Uiso 1 1 calc R U . . .
C34 C 0.4081(10) -0.1123(10) 0.5435(6) 0.061(2) Uani 1 1 d . U . . .
H34 H 0.456768 -0.158188 0.511818 0.073 Uiso 1 1 calc R U . . .
C35 C 0.3904(9) -0.1549(10) 0.6119(5) 0.058(2) Uani 1 1 d . U . . .
H35 H 0.426095 -0.228728 0.627479 0.069 Uiso 1 1 calc R U . . .
C36 C 0.3182(9) -0.0863(9) 0.6582(5) 0.0526(19) Uani 1 1 d . U . . .
C37 C 0.2274(8) -0.0036(9) 0.7394(5) 0.0503(18) Uani 1 1 d . U . . .
C38 C 0.1981(8) 0.0182(10) 0.8081(5) 0.0543(19) Uani 1 1 d . U . . .
C39 C 0.1593(9) 0.1090(10) 0.8851(6) 0.060(2) Uani 1 1 d . U . . .
C40 C 0.1314(9) 0.1909(11) 0.9251(6) 0.065(2) Uani 1 1 d . U . . .
H40 H 0.100972 0.265405 0.908160 0.078 Uiso 1 1 calc R U . . .
C41 C 0.1510(10) 0.1561(12) 0.9891(6) 0.072(3) Uani 1 1 d . U . . .
H41 H 0.136504 0.208298 1.016495 0.086 Uiso 1 1 calc R U . . .
C42 C 0.1916(10) 0.0463(12) 1.0155(6) 0.075(3) Uani 1 1 d . U . . .
H42 H 0.200116 0.026191 1.061007 0.090 Uiso 1 1 calc R U . . .
C43 C 0.2195(9) -0.0334(12) 0.9779(6) 0.071(2) Uani 1 1 d . U . . .
H43 H 0.248603 -0.107645 0.996088 0.085 Uiso 1 1 calc R U . . .
C44 C 0.2031(9) -0.0008(10) 0.9114(6) 0.062(2) Uani 1 1 d . U . . .
C45 C -0.0456(9) 0.3137(10) 0.7743(6) 0.067(2) Uani 1 1 d . U . . .
C46 C 0.0241(9) 0.3875(9) 0.7351(6) 0.063(2) Uani 1 1 d . U . . .
C47 C 0.0526(10) 0.3740(10) 0.6658(6) 0.067(2) Uani 1 1 d . U . . .
C48 C 0.0106(9) 0.2973(10) 0.6589(7) 0.067(2) Uani 1 1 d . U . . .
C49 C -0.0480(9) 0.2558(10) 0.7254(7) 0.067(2) Uani 1 1 d . U . . .
C50 C 0.0451(11) 0.4691(11) 0.7621(8) 0.084(4) Uani 1 1 d . U . . .
H50A H 0.039927 0.445402 0.811084 0.126 Uiso 1 1 calc R U . . .
H50B H -0.012424 0.538773 0.754297 0.126 Uiso 1 1 calc R U . . .
H50C H 0.121635 0.477241 0.738900 0.126 Uiso 1 1 calc R U . . .
C51 C 0.1205(12) 0.4434(11) 0.6094(7) 0.096(4) Uani 1 1 d . U . . .
H51A H 0.174017 0.459489 0.627538 0.144 Uiso 1 1 calc R U . . .
H51B H 0.067482 0.511237 0.592918 0.144 Uiso 1 1 calc R U . . .
H51C H 0.163259 0.403693 0.571708 0.144 Uiso 1 1 calc R U . . .
C52 C 0.0144(12) 0.2647(12) 0.5962(7) 0.095(4) Uani 1 1 d . U . . .
H52A H 0.079030 0.281754 0.560214 0.143 Uiso 1 1 calc R U . . .
H52B H -0.057112 0.304069 0.581929 0.143 Uiso 1 1 calc R U . . .
H52C H 0.023896 0.186667 0.604653 0.143 Uiso 1 1 calc R U . . .
C53 C -0.1084(11) 0.1691(12) 0.7432(9) 0.099(4) Uani 1 1 d . U . . .
H53A H -0.077027 0.124114 0.707683 0.148 Uiso 1 1 calc R U . . .
H53B H -0.190436 0.203010 0.746481 0.148 Uiso 1 1 calc R U . . .
H53C H -0.096844 0.123702 0.786942 0.148 Uiso 1 1 calc R U . . .
C54 C -0.1024(10) 0.3028(11) 0.8462(6) 0.082(4) Uani 1 1 d . U . . .
H54A H -0.096189 0.226182 0.865384 0.123 Uiso 1 1 calc R U . . .
H54B H -0.183320 0.344004 0.851890 0.123 Uiso 1 1 calc R U . . .
H54C H -0.065883 0.330738 0.869986 0.123 Uiso 1 1 calc R U . . .
S2 S 0.5694(5) 0.2581(5) 0.8923(2) 0.1284(17) Uani 1 1 d . U . . .
F4 F 0.4256(8) 0.1552(9) 0.9029(5) 0.135(3) Uani 1 1 d . U . . .
F5 F 0.5516(13) 0.0744(12) 0.9620(8) 0.191(4) Uani 1 1 d . U . . .
F6 F 0.4237(12) 0.1958(12) 0.9934(6) 0.176(4) Uani 1 1 d . U . . .
O3 O 0.4654(17) 0.3559(14) 0.8798(9) 0.194(5) Uani 1 1 d . U . . .
O4 O 0.6248(13) 0.2288(18) 0.8318(7) 0.202(5) Uani 1 1 d . U . . .
O5 O 0.6283(11) 0.2709(11) 0.9342(6) 0.138(4) Uani 1 1 d . U . . .
C55 C 0.4885(19) 0.172(2) 0.9314(11) 0.137(3) Uani 1 1 d . U . . .
S1 S 0.6885(4) 0.5883(4) 0.5673(3) 0.1288(16) Uani 1 1 d D U . . .
F1 F 0.7868(11) 0.5282(15) 0.6648(8) 0.239(7) Uani 1 1 d . U . . .
F2 F 0.8715(11) 0.6120(15) 0.5731(8) 0.216(5) Uani 1 1 d . U . . .
F3 F 0.7070(14) 0.7027(14) 0.6328(9) 0.215(5) Uani 1 1 d . U . . .
O6 O 0.5845(9) 0.5817(11) 0.6163(6) 0.137(4) Uani 1 1 d . U . . .
O7 O 0.6826(10) 0.6796(9) 0.5147(6) 0.123(4) Uani 1 1 d . U . . .
O8 O 0.7693(15) 0.4798(10) 0.5507(9) 0.211(6) Uani 1 1 d . U . . .
C56 C 0.7668(19) 0.607(3) 0.6124(12) 0.162(4) Uani 1 1 d D U . . .
Rh3 Rh 1.7089(10) 0.1187(12) 0.1928(6) 0.0479(3) Uani 0.0645(17) 1 d . U P A 1
Rh4 Rh 0.1595(12) 0.1700(16) 0.7515(9) 0.049(2) Uani 0.060(3) 1 d . U P B 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 2.139(8) . ?
Rh1 N6 2.174(10) 2_756 ?
Rh1 N8 2.144(9) 2_756 ?
Rh1 C1 2.160(13) . ?
Rh1 C2 2.123(12) . ?
Rh1 C3 2.146(12) . ?
Rh1 C4 2.152(13) . ?
Rh1 C5 2.128(14) . ?
Rh2 N4 2.134(8) . ?
Rh2 N5 2.141(9) . ?
Rh2 N7 2.181(9) . ?
Rh2 C45 2.172(11) . ?
Rh2 C46 2.119(12) . ?
Rh2 C47 2.117(12) . ?
Rh2 C48 2.152(11) . ?
Rh2 C49 2.122(10) . ?
O1 C17 1.215(12) . ?
O2 C24 1.215(12) . ?
N1 C11 1.338(12) . ?
N1 C15 1.338(12) . ?
N1 Rh3 2.143(14) . ?
N2 H2 0.8800 . ?
N2 C16 1.476(13) . ?
N2 C17 1.343(13) . ?
N3 H3 0.8800 . ?
N3 C24 1.355(13) . ?
N3 C25 1.459(13) . ?
N4 C28 1.360(13) . ?
N4 C30 1.357(12) . ?
N4 Rh4 2.122(14) . ?
N5 C38 1.317(13) . ?
N5 C39 1.389(13) . ?
N5 Rh4 1.37(2) . ?
N6 C38 1.309(13) . ?
N6 C44 1.394(13) . ?
N6 Rh3 1.404(15) 2_756 ?
N7 C31 1.377(12) . ?
N7 C37 1.285(12) . ?
N7 Rh4 1.900(16) . ?
N8 C36 1.387(12) . ?
N8 C37 1.310(13) . ?
N8 Rh3 1.607(14) 2_756 ?
C1 C2 1.429(19) . ?
C1 C5 1.397(19) . ?
C1 C6 1.497(17) . ?
C2 C3 1.398(16) . ?
C2 C7 1.53(2) . ?
C3 C4 1.376(18) . ?
C3 C8 1.538(17) . ?
C4 C5 1.484(18) . ?
C4 C9 1.485(17) . ?
C5 C10 1.490(19) . ?
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 H11 0.9500 . ?
C11 C12 1.371(14) . ?
C12 H12 0.9500 . ?
C12 C13 1.401(14) . ?
C13 C14 1.383(13) . ?
C13 C16 1.512(13) . ?
C14 H14 0.9500 . ?
C14 C15 1.391(13) . ?
C15 H15 0.9500 . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C18 1.485(14) . ?
C18 C19 1.389(14) . ?
C18 C23 1.387(14) . ?
C19 H19 0.9500 . ?
C19 C20 1.402(14) . ?
C20 H20 0.9500 . ?
C20 C21 1.364(13) . ?
C21 C22 1.368(14) . ?
C21 C24 1.511(14) . ?
C22 H22 0.9500 . ?
C22 C23 1.363(15) . ?
C23 H23 0.9500 . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 C26 1.502(13) . ?
C26 C27 1.371(13) . ?
C26 C29 1.381(14) . ?
C27 H27 0.9500 . ?
C27 C28 1.387(13) . ?
C28 H28 0.9500 . ?
C29 H29 0.9500 . ?
C29 C30 1.386(13) . ?
C30 H30 0.9500 . ?
C31 C32 1.375(14) . ?
C31 C36 1.437(15) . ?
C32 H32 0.9500 . ?
C32 C33 1.404(15) . ?
C33 H33 0.9500 . ?
C33 C34 1.393(15) . ?
C34 H34 0.9500 . ?
C34 C35 1.377(14) . ?
C35 H35 0.9500 . ?
C35 C36 1.404(14) . ?
C37 C38 1.453(14) . ?
C37 Rh3 1.937(17) 2_756 ?
C37 Rh4 2.23(2) . ?
C38 Rh3 1.810(19) 2_756 ?
C38 Rh4 2.04(2) . ?
C39 C40 1.433(15) . ?
C39 C44 1.404(16) . ?
C40 H40 0.9500 . ?
C40 C41 1.371(15) . ?
C41 H41 0.9500 . ?
C41 C42 1.398(18) . ?
C42 H42 0.9500 . ?
C42 C43 1.374(17) . ?
C43 H43 0.9500 . ?
C43 C44 1.404(15) . ?
C45 C46 1.471(16) . ?
C45 C49 1.446(16) . ?
C45 C54 1.452(16) . ?
C46 C47 1.428(16) . ?
C46 C50 1.480(15) . ?
C47 C48 1.361(16) . ?
C47 C51 1.534(17) . ?
C48 C49 1.433(17) . ?
C48 C52 1.469(16) . ?
C49 C53 1.510(16) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
S2 O3 1.547(17) . ?
S2 O4 1.336(15) . ?
S2 O5 1.392(10) . ?
S2 C55 1.69(2) . ?
F4 C55 1.240(17) . ?
F5 C55 1.39(2) . ?
F6 C55 1.36(2) . ?
S1 O6 1.423(11) . ?
S1 O7 1.412(11) . ?
S1 O8 1.520(13) . ?
S1 C56 1.680(17) . ?
F1 C56 1.33(3) . ?
F2 C56 1.35(2) . ?
F3 C56 1.35(3) . ?

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 N6 84.7(3) . 2_756 ?
N1 Rh1 N8 87.6(3) . 2_756 ?
N1 Rh1 C1 134.6(5) . . ?
N1 Rh1 C3 128.8(4) . . ?
N1 Rh1 C4 99.4(4) . . ?
N8 Rh1 N6 79.4(3) 2_756 2_756 ?
N8 Rh1 C1 94.7(4) 2_756 . ?
N8 Rh1 C3 143.4(4) 2_756 . ?
N8 Rh1 C4 157.7(4) 2_756 . ?
C1 Rh1 N6 140.2(5) . 2_756 ?
C2 Rh1 N1 164.0(5) . . ?
C2 Rh1 N6 104.8(5) . 2_756 ?
C2 Rh1 N8 106.6(4) . 2_756 ?
C2 Rh1 C1 39.0(5) . . ?
C2 Rh1 C3 38.2(4) . . ?
C2 Rh1 C4 64.7(5) . . ?
C2 Rh1 C5 65.0(6) . . ?
C3 Rh1 N6 98.0(5) . 2_756 ?
C3 Rh1 C1 64.0(5) . . ?
C3 Rh1 C4 37.3(5) . . ?
C4 Rh1 N6 122.1(4) . 2_756 ?
C4 Rh1 C1 65.3(5) . . ?
C5 Rh1 N1 102.2(5) . . ?
C5 Rh1 N6 161.8(4) . 2_756 ?
C5 Rh1 N8 117.3(4) . 2_756 ?
C5 Rh1 C1 38.0(5) . . ?
C5 Rh1 C3 64.5(5) . . ?
C5 Rh1 C4 40.6(5) . . ?
N4 Rh2 N5 88.0(3) . . ?
N4 Rh2 N7 85.9(3) . . ?
N4 Rh2 C45 136.4(4) . . ?
N4 Rh2 C48 125.1(4) . . ?
N5 Rh2 N7 79.3(3) . . ?
N5 Rh2 C45 94.0(4) . . ?
N5 Rh2 C48 146.6(4) . . ?
C45 Rh2 N7 137.3(4) . . ?
C46 Rh2 N4 101.3(4) . . ?
C46 Rh2 N5 116.4(4) . . ?
C46 Rh2 N7 162.6(4) . . ?
C46 Rh2 C45 40.1(4) . . ?
C46 Rh2 C48 65.4(5) . . ?
C46 Rh2 C49 66.2(4) . . ?
C47 Rh2 N4 98.1(4) . . ?
C47 Rh2 N5 155.8(4) . . ?
C47 Rh2 N7 124.3(4) . . ?
C47 Rh2 C45 65.5(5) . . ?
C47 Rh2 C46 39.4(4) . . ?
C47 Rh2 C48 37.2(4) . . ?
C47 Rh2 C49 64.1(5) . . ?
C48 Rh2 N7 97.4(4) . . ?
C48 Rh2 C45 65.8(5) . . ?
C49 Rh2 N4 162.2(4) . . ?
C49 Rh2 N5 108.6(4) . . ?
C49 Rh2 N7 102.9(4) . . ?
C49 Rh2 C45 39.3(4) . . ?
C49 Rh2 C48 39.2(5) . . ?
C11 N1 Rh1 121.1(7) . . ?
C11 N1 C15 117.6(9) . . ?
C11 N1 Rh3 117.0(7) . . ?
C15 N1 Rh1 121.3(6) . . ?
C15 N1 Rh3 117.0(7) . . ?
C16 N2 H2 119.5 . . ?
C17 N2 H2 119.5 . . ?
C17 N2 C16 121.0(9) . . ?
C24 N3 H3 119.7 . . ?
C24 N3 C25 120.5(9) . . ?
C25 N3 H3 119.7 . . ?
C28 N4 Rh2 120.3(6) . . ?
C28 N4 Rh4 127.5(8) . . ?
C30 N4 Rh2 122.0(7) . . ?
C30 N4 C28 117.7(8) . . ?
C30 N4 Rh4 110.2(8) . . ?
C38 N5 Rh2 110.7(7) . . ?
C38 N5 C39 102.1(10) . . ?
C38 N5 Rh4 99.0(10) . . ?
C39 N5 Rh2 147.2(8) . . ?
Rh4 N5 C39 156.9(11) . . ?
C38 N6 Rh1 108.9(7) . 2_756 ?
C38 N6 C44 104.0(10) . . ?
C38 N6 Rh3 83.6(9) . 2_756 ?
C44 N6 Rh1 145.6(8) . 2_756 ?
C44 N6 Rh3 160.3(9) . 2_756 ?
Rh3 N6 Rh1 26.5(6) 2_756 2_756 ?
C31 N7 Rh2 145.3(7) . . ?
C31 N7 Rh4 161.5(8) . . ?
C37 N7 Rh2 109.3(7) . . ?
C37 N7 C31 104.3(9) . . ?
C37 N7 Rh4 86.7(9) . . ?
C36 N8 Rh1 145.7(7) . 2_756 ?
C36 N8 Rh3 163.6(8) . 2_756 ?
C37 N8 Rh1 111.9(7) . 2_756 ?
C37 N8 C36 101.5(9) . . ?
C37 N8 Rh3 82.5(8) . 2_756 ?
Rh3 N8 Rh1 30.4(6) 2_756 2_756 ?
C2 C1 Rh1 69.1(7) . . ?
C2 C1 C6 123.7(15) . . ?
C5 C1 Rh1 69.7(7) . . ?
C5 C1 C2 107.8(12) . . ?
C5 C1 C6 128.5(15) . . ?
C6 C1 Rh1 127.0(10) . . ?
C1 C2 Rh1 71.9(7) . . ?
C1 C2 C7 124.7(13) . . ?
C3 C2 Rh1 71.8(7) . . ?
C3 C2 C1 107.6(13) . . ?
C3 C2 C7 127.7(14) . . ?
C7 C2 Rh1 122.9(11) . . ?
C2 C3 Rh1 70.0(7) . . ?
C2 C3 C8 123.4(13) . . ?
C4 C3 Rh1 71.6(7) . . ?
C4 C3 C2 111.1(12) . . ?
C4 C3 C8 125.6(11) . . ?
C8 C3 Rh1 125.5(10) . . ?
C3 C4 Rh1 71.1(8) . . ?
C3 C4 C5 105.7(12) . . ?
C3 C4 C9 130.4(13) . . ?
C5 C4 Rh1 68.8(7) . . ?
C5 C4 C9 123.7(14) . . ?
C9 C4 Rh1 127.8(9) . . ?
C1 C5 Rh1 72.2(9) . . ?
C1 C5 C4 107.8(13) . . ?
C1 C5 C10 127.3(14) . . ?
C4 C5 Rh1 70.6(8) . . ?
C4 C5 C10 124.7(15) . . ?
C10 C5 Rh1 126.8(10) . . ?
C1 C6 H6A 109.5 . . ?
C1 C6 H6B 109.5 . . ?
C1 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C5 C10 H10A 109.5 . . ?
C5 C10 H10B 109.5 . . ?
C5 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N1 C11 H11 118.7 . . ?
N1 C11 C12 122.7(10) . . ?
C12 C11 H11 118.7 . . ?
C11 C12 H12 119.8 . . ?
C11 C12 C13 120.3(10) . . ?
C13 C12 H12 119.8 . . ?
C12 C13 C16 118.9(9) . . ?
C14 C13 C12 116.8(9) . . ?
C14 C13 C16 124.3(9) . . ?
C13 C14 H14 120.3 . . ?
C13 C14 C15 119.4(10) . . ?
C15 C14 H14 120.3 . . ?
N1 C15 C14 123.1(9) . . ?
N1 C15 H15 118.4 . . ?
C14 C15 H15 118.4 . . ?
N2 C16 C13 113.7(8) . . ?
N2 C16 H16A 108.8 . . ?
N2 C16 H16B 108.8 . . ?
C13 C16 H16A 108.8 . . ?
C13 C16 H16B 108.8 . . ?
H16A C16 H16B 107.7 . . ?
O1 C17 N2 122.7(10) . . ?
O1 C17 C18 122.2(10) . . ?
N2 C17 C18 115.1(9) . . ?
C19 C18 C17 118.0(9) . . ?
C23 C18 C17 124.7(10) . . ?
C23 C18 C19 117.3(10) . . ?
C18 C19 H19 119.3 . . ?
C18 C19 C20 121.5(10) . . ?
C20 C19 H19 119.3 . . ?
C19 C20 H20 120.4 . . ?
C21 C20 C19 119.1(10) . . ?
C21 C20 H20 120.4 . . ?
C20 C21 C22 119.6(10) . . ?
C20 C21 C24 121.9(10) . . ?
C22 C21 C24 118.4(9) . . ?
C21 C22 H22 119.2 . . ?
C23 C22 C21 121.6(10) . . ?
C23 C22 H22 119.2 . . ?
C18 C23 H23 119.6 . . ?
C22 C23 C18 120.8(11) . . ?
C22 C23 H23 119.6 . . ?
O2 C24 N3 122.1(10) . . ?
O2 C24 C21 121.2(10) . . ?
N3 C24 C21 116.7(9) . . ?
N3 C25 H25A 108.5 . . ?
N3 C25 H25B 108.5 . . ?
N3 C25 C26 115.1(8) . . ?
H25A C25 H25B 107.5 . . ?
C26 C25 H25A 108.5 . . ?
C26 C25 H25B 108.5 . . ?
C27 C26 C25 123.9(10) . . ?
C27 C26 C29 117.1(9) . . ?
C29 C26 C25 119.0(9) . . ?
C26 C27 H27 119.7 . . ?
C26 C27 C28 120.6(10) . . ?
C28 C27 H27 119.7 . . ?
N4 C28 C27 122.0(9) . . ?
N4 C28 H28 119.0 . . ?
C27 C28 H28 119.0 . . ?
C26 C29 H29 119.3 . . ?
C26 C29 C30 121.3(10) . . ?
C30 C29 H29 119.3 . . ?
N4 C30 C29 121.2(10) . . ?
N4 C30 H30 119.4 . . ?
C29 C30 H30 119.4 . . ?
N7 C31 C36 105.7(9) . . ?
C32 C31 N7 131.8(11) . . ?
C32 C31 C36 122.3(10) . . ?
C31 C32 H32 121.3 . . ?
C31 C32 C33 117.4(11) . . ?
C33 C32 H32 121.3 . . ?
C32 C33 H33 119.6 . . ?
C34 C33 C32 120.8(11) . . ?
C34 C33 H33 119.6 . . ?
C33 C34 H34 118.8 . . ?
C35 C34 C33 122.3(11) . . ?
C35 C34 H34 118.8 . . ?
C34 C35 H35 120.8 . . ?
C34 C35 C36 118.3(11) . . ?
C36 C35 H35 120.8 . . ?
N8 C36 C31 108.4(9) . . ?
N8 C36 C35 132.6(10) . . ?
C35 C36 C31 118.9(10) . . ?
N7 C37 N8 120.1(10) . . ?
N7 C37 C38 121.3(10) . . ?
N7 C37 Rh3 166.8(8) . 2_756 ?
N7 C37 Rh4 58.2(8) . . ?
N8 C37 C38 117.8(9) . . ?
N8 C37 Rh3 55.4(7) . 2_756 ?
N8 C37 Rh4 167.8(8) . . ?
C38 C37 Rh3 62.6(7) . 2_756 ?
C38 C37 Rh4 63.2(8) . . ?
N5 C38 C37 118.8(10) . . ?
N5 C38 Rh3 160.1(9) . 2_756 ?
N5 C38 Rh4 41.5(6) . . ?
N6 C38 N5 118.3(10) . . ?
N6 C38 C37 121.9(10) . . ?
N6 C38 Rh3 50.4(7) . 2_756 ?
N6 C38 Rh4 158.0(10) . . ?
C37 C38 Rh3 71.9(7) . 2_756 ?
C37 C38 Rh4 77.3(7) . . ?
N5 C39 C40 129.7(11) . . ?
N5 C39 C44 109.3(10) . . ?
C44 C39 C40 120.8(11) . . ?
C39 C40 H40 121.7 . . ?
C41 C40 C39 116.5(12) . . ?
C41 C40 H40 121.7 . . ?
C40 C41 H41 118.9 . . ?
C40 C41 C42 122.2(12) . . ?
C42 C41 H41 118.9 . . ?
C41 C42 H42 118.9 . . ?
C43 C42 C41 122.2(12) . . ?
C43 C42 H42 118.9 . . ?
C42 C43 H43 121.4 . . ?
C42 C43 C44 117.3(13) . . ?
C44 C43 H43 121.4 . . ?
N6 C44 C39 106.2(10) . . ?
N6 C44 C43 132.7(12) . . ?
C39 C44 C43 121.0(11) . . ?
C46 C45 Rh2 68.0(6) . . ?
C49 C45 Rh2 68.5(6) . . ?
C49 C45 C46 105.1(10) . . ?
C49 C45 C54 127.2(12) . . ?
C54 C45 Rh2 128.6(9) . . ?
C54 C45 C46 127.7(12) . . ?
C45 C46 Rh2 71.9(7) . . ?
C45 C46 C50 125.4(11) . . ?
C47 C46 Rh2 70.2(7) . . ?
C47 C46 C45 106.3(10) . . ?
C47 C46 C50 127.8(12) . . ?
C50 C46 Rh2 129.0(9) . . ?
C46 C47 Rh2 70.4(7) . . ?
C46 C47 C51 120.7(12) . . ?
C48 C47 Rh2 72.8(7) . . ?
C48 C47 C46 111.7(11) . . ?
C48 C47 C51 127.6(13) . . ?
C51 C47 Rh2 125.0(8) . . ?
C47 C48 Rh2 70.0(7) . . ?
C47 C48 C49 107.3(11) . . ?
C47 C48 C52 128.6(13) . . ?
C49 C48 Rh2 69.3(6) . . ?
C49 C48 C52 123.9(12) . . ?
C52 C48 Rh2 129.0(9) . . ?
C45 C49 Rh2 72.2(6) . . ?
C45 C49 C53 124.0(12) . . ?
C48 C49 Rh2 71.6(6) . . ?
C48 C49 C45 109.4(10) . . ?
C48 C49 C53 126.5(12) . . ?
C53 C49 Rh2 124.7(9) . . ?
C46 C50 H50A 109.5 . . ?
C46 C50 H50B 109.5 . . ?
C46 C50 H50C 109.5 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C47 C51 H51A 109.5 . . ?
C47 C51 H51B 109.5 . . ?
C47 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C48 C52 H52A 109.5 . . ?
C48 C52 H52B 109.5 . . ?
C48 C52 H52C 109.5 . . ?
H52A C52 H52B 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C49 C53 H53A 109.5 . . ?
C49 C53 H53B 109.5 . . ?
C49 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C45 C54 H54A 109.5 . . ?
C45 C54 H54B 109.5 . . ?
C45 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
O3 S2 C55 93.6(11) . . ?
O4 S2 O3 106.2(11) . . ?
O4 S2 O5 120.8(9) . . ?
O4 S2 C55 105.2(12) . . ?
O5 S2 O3 114.2(10) . . ?
O5 S2 C55 113.1(9) . . ?
F4 C55 S2 122.0(15) . . ?
F4 C55 F5 109.8(19) . . ?
F4 C55 F6 107.1(18) . . ?
F5 C55 S2 111.4(14) . . ?
F6 C55 S2 111.3(16) . . ?
F6 C55 F5 90.7(15) . . ?
O6 S1 O8 114.5(8) . . ?
O6 S1 C56 103.3(11) . . ?
O7 S1 O6 116.9(8) . . ?
O7 S1 O8 118.5(8) . . ?
O7 S1 C56 103.2(12) . . ?
O8 S1 C56 95.5(14) . . ?
F1 C56 S1 114(2) . . ?
F1 C56 F2 105(2) . . ?
F1 C56 F3 112(2) . . ?
F2 C56 S1 110.9(16) . . ?
F3 C56 S1 104.8(17) . . ?
F3 C56 F2 110(2) . . ?
N6 Rh3 N1 108.3(7) 2_756 . ?
N6 Rh3 N8 132.5(11) 2_756 2_756 ?
N6 Rh3 C37 91.2(9) 2_756 2_756 ?
N6 Rh3 C38 45.9(6) 2_756 2_756 ?
N8 Rh3 N1 103.6(7) 2_756 . ?
N8 Rh3 C37 42.1(5) 2_756 2_756 ?
N8 Rh3 C38 87.5(8) 2_756 2_756 ?
C37 Rh3 N1 118.5(7) 2_756 . ?
C38 Rh3 N1 120.8(8) 2_756 . ?
C38 Rh3 C37 45.5(5) 2_756 2_756 ?
N4 Rh4 C37 107.6(7) . . ?
N5 Rh4 N4 114.9(10) . . ?
N5 Rh4 N7 114.0(13) . . ?
N5 Rh4 C37 79.0(10) . . ?
N5 Rh4 C38 39.6(7) . . ?
N7 Rh4 N4 93.8(6) . . ?
N7 Rh4 C37 35.1(5) . . ?
N7 Rh4 C38 74.5(8) . . ?
C38 Rh4 N4 118.1(9) . . ?
C38 Rh4 C37 39.4(5) . . ?

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 N1 C11 C12 -178.4(9) . . . . ?
Rh1 N1 C15 C14 178.0(8) . . . . ?
Rh1 N6 C38 N5 -168.5(7) 2_756 . . . ?
Rh1 N6 C38 C37 -0.3(11) 2_756 . . . ?
Rh1 N6 C38 Rh4 -149(2) 2_756 . . . ?
Rh1 N6 C44 C39 162.3(9) 2_756 . . . ?
Rh1 N6 C44 C43 -14(2) 2_756 . . . ?
Rh1 N8 C36 C31 -167.8(9) 2_756 . . . ?
Rh1 N8 C36 C35 8(2) 2_756 . . . ?
Rh1 N8 C37 N7 173.3(7) 2_756 . . . ?
Rh1 N8 C37 C38 3.3(11) 2_756 . . . ?
Rh1 N8 C37 Rh4 95(5) 2_756 . . . ?
Rh1 C1 C2 C3 63.3(9) . . . . ?
Rh1 C1 C2 C7 -117.9(14) . . . . ?
Rh1 C1 C5 C4 -62.1(9) . . . . ?
Rh1 C1 C5 C10 123.1(14) . . . . ?
Rh1 C2 C3 C4 60.0(10) . . . . ?
Rh1 C2 C3 C8 -120.0(13) . . . . ?
Rh1 C3 C4 C5 60.5(8) . . . . ?
Rh1 C3 C4 C9 -124.0(15) . . . . ?
Rh1 C4 C5 C1 63.1(9) . . . . ?
Rh1 C4 C5 C10 -121.9(13) . . . . ?
Rh2 N4 C28 C27 176.3(9) . . . . ?
Rh2 N4 C30 C29 -176.0(9) . . . . ?
Rh2 N5 C38 N6 176.5(7) . . . . ?
Rh2 N5 C38 C37 7.9(11) . . . . ?
Rh2 N5 C38 Rh3 126(3) . . . 2_756 ?
Rh2 N5 C39 C40 0(2) . . . . ?
Rh2 N5 C39 C44 -175.4(9) . . . . ?
Rh2 N7 C31 C32 -9.9(18) . . . . ?
Rh2 N7 C31 C36 165.3(8) . . . . ?
Rh2 N7 C37 N8 -172.1(7) . . . . ?
Rh2 N7 C37 C38 -2.4(11) . . . . ?
Rh2 N7 C37 Rh3 -106(4) . . . 2_756 ?
Rh2 C45 C46 C47 62.2(8) . . . . ?
Rh2 C45 C46 C50 -125.4(12) . . . . ?
Rh2 C45 C49 C48 -62.2(8) . . . . ?
Rh2 C45 C49 C53 120.3(12) . . . . ?
Rh2 C46 C47 C48 61.4(9) . . . . ?
Rh2 C46 C47 C51 -119.8(11) . . . . ?
Rh2 C47 C48 C49 59.5(8) . . . . ?
Rh2 C47 C48 C52 -124.6(13) . . . . ?
Rh2 C48 C49 C45 62.6(8) . . . . ?
Rh2 C48 C49 C53 -120.0(12) . . . . ?
O1 C17 C18 C19 -31.1(13) . . . . ?
O1 C17 C18 C23 147.8(10) . . . . ?
N1 C11 C12 C13 0.3(18) . . . . ?
N2 C17 C18 C19 150.9(9) . . . . ?
N2 C17 C18 C23 -30.3(13) . . . . ?
N3 C25 C26 C27 -4.3(17) . . . . ?
N3 C25 C26 C29 178.2(10) . . . . ?
N5 C39 C40 C41 -174.1(10) . . . . ?
N5 C39 C44 N6 -0.4(11) . . . . ?
N5 C39 C44 C43 176.5(9) . . . . ?
N7 C31 C32 C33 174.6(10) . . . . ?
N7 C31 C36 N8 0.9(10) . . . . ?
N7 C31 C36 C35 -175.3(8) . . . . ?
N7 C37 C38 N5 -3.8(14) . . . . ?
N7 C37 C38 N6 -172.0(9) . . . . ?
N7 C37 C38 Rh3 -165.5(10) . . . 2_756 ?
N7 C37 C38 Rh4 -3.6(9) . . . . ?
N8 C37 C38 N5 166.1(9) . . . . ?
N8 C37 C38 N6 -2.1(14) . . . . ?
N8 C37 C38 Rh3 4.4(9) . . . 2_756 ?
N8 C37 C38 Rh4 166.3(9) . . . . ?
C1 C2 C3 Rh1 -63.4(9) . . . . ?
C1 C2 C3 C4 -3.5(16) . . . . ?
C1 C2 C3 C8 176.6(12) . . . . ?
C2 C1 C5 Rh1 58.9(10) . . . . ?
C2 C1 C5 C4 -3.2(15) . . . . ?
C2 C1 C5 C10 -178.0(13) . . . . ?
C2 C3 C4 Rh1 -59.0(10) . . . . ?
C2 C3 C4 C5 1.5(15) . . . . ?
C2 C3 C4 C9 177.0(13) . . . . ?
C3 C4 C5 Rh1 -62.0(9) . . . . ?
C3 C4 C5 C1 1.1(15) . . . . ?
C3 C4 C5 C10 176.1(13) . . . . ?
C5 C1 C2 Rh1 -59.3(9) . . . . ?
C5 C1 C2 C3 4.1(15) . . . . ?
C5 C1 C2 C7 -177.2(13) . . . . ?
C6 C1 C2 Rh1 121.3(13) . . . . ?
C6 C1 C2 C3 -175.3(12) . . . . ?
C6 C1 C2 C7 3(2) . . . . ?
C6 C1 C5 Rh1 -121.7(14) . . . . ?
C6 C1 C5 C4 176.2(13) . . . . ?
C6 C1 C5 C10 1(2) . . . . ?
C7 C2 C3 Rh1 117.9(15) . . . . ?
C7 C2 C3 C4 177.9(14) . . . . ?
C7 C2 C3 C8 -2(2) . . . . ?
C8 C3 C4 Rh1 120.9(13) . . . . ?
C8 C3 C4 C5 -178.6(12) . . . . ?
C8 C3 C4 C9 -3(2) . . . . ?
C9 C4 C5 Rh1 122.1(13) . . . . ?
C9 C4 C5 C1 -174.8(12) . . . . ?
C9 C4 C5 C10 0(2) . . . . ?
C11 N1 C15 C14 -0.6(16) . . . . ?
C11 C12 C13 C14 -0.3(17) . . . . ?
C11 C12 C13 C16 179.4(10) . . . . ?
C12 C13 C14 C15 -0.1(16) . . . . ?
C12 C13 C16 N2 -168.6(10) . . . . ?
C13 C14 C15 N1 0.5(18) . . . . ?
C14 C13 C16 N2 11.1(16) . . . . ?
C15 N1 C11 C12 0.1(17) . . . . ?
C16 N2 C17 O1 1.8(14) . . . . ?
C16 N2 C17 C18 179.8(8) . . . . ?
C16 C13 C14 C15 -179.7(10) . . . . ?
C17 N2 C16 C13 81.0(11) . . . . ?
C17 C18 C19 C20 -178.9(9) . . . . ?
C17 C18 C23 C22 179.0(9) . . . . ?
C18 C19 C20 C21 -1.5(15) . . . . ?
C19 C18 C23 C22 -2.2(15) . . . . ?
C19 C20 C21 C22 0.8(15) . . . . ?
C19 C20 C21 C24 178.3(9) . . . . ?
C20 C21 C22 C23 -0.9(16) . . . . ?
C20 C21 C24 O2 -153.7(10) . . . . ?
C20 C21 C24 N3 24.9(13) . . . . ?
C21 C22 C23 C18 1.6(16) . . . . ?
C22 C21 C24 O2 23.7(14) . . . . ?
C22 C21 C24 N3 -157.6(9) . . . . ?
C23 C18 C19 C20 2.1(14) . . . . ?
C24 N3 C25 C26 -84.6(12) . . . . ?
C24 C21 C22 C23 -178.4(9) . . . . ?
C25 N3 C24 O2 3.3(14) . . . . ?
C25 N3 C24 C21 -175.3(8) . . . . ?
C25 C26 C27 C28 -178.8(11) . . . . ?
C25 C26 C29 C30 179.3(11) . . . . ?
C26 C27 C28 N4 2.1(19) . . . . ?
C26 C29 C30 N4 -2.8(19) . . . . ?
C27 C26 C29 C30 1.6(18) . . . . ?
C28 N4 C30 C29 3.4(18) . . . . ?
C29 C26 C27 C28 -1.3(18) . . . . ?
C30 N4 C28 C27 -3.1(18) . . . . ?
C31 N7 C37 N8 -0.9(12) . . . . ?
C31 N7 C37 C38 168.8(8) . . . . ?
C31 N7 C37 Rh3 65(4) . . . 2_756 ?
C31 N7 C37 Rh4 165.0(8) . . . . ?
C31 C32 C33 C34 -0.5(15) . . . . ?
C32 C31 C36 N8 176.7(9) . . . . ?
C32 C31 C36 C35 0.5(14) . . . . ?
C32 C33 C34 C35 0.5(17) . . . . ?
C33 C34 C35 C36 0.0(16) . . . . ?
C34 C35 C36 N8 -175.7(10) . . . . ?
C34 C35 C36 C31 -0.5(14) . . . . ?
C36 N8 C37 N7 1.4(12) . . . . ?
C36 N8 C37 C38 -168.6(8) . . . . ?
C36 N8 C37 Rh3 -163.8(9) . . . 2_756 ?
C36 N8 C37 Rh4 -77(5) . . . . ?
C36 C31 C32 C33 0.0(14) . . . . ?
C37 N7 C31 C32 -175.3(10) . . . . ?
C37 N7 C31 C36 -0.1(10) . . . . ?
C37 N8 C36 C31 -1.3(10) . . . . ?
C37 N8 C36 C35 174.2(11) . . . . ?
C38 N5 C39 C40 176.3(10) . . . . ?
C38 N5 C39 C44 1.1(11) . . . . ?
C38 N5 Rh4 N4 -104.7(10) . . . . ?
C38 N5 Rh4 N7 2.0(10) . . . . ?
C38 N5 Rh4 C37 -0.2(7) . . . . ?
C38 N6 C44 C39 -0.5(11) . . . . ?
C38 N6 C44 C43 -176.9(12) . . . . ?
C39 N5 C38 N6 -1.5(12) . . . . ?
C39 N5 C38 C37 -170.1(8) . . . . ?
C39 N5 C38 Rh3 -52(3) . . . 2_756 ?
C39 N5 C38 Rh4 -170.4(10) . . . . ?
C39 N5 Rh4 N4 51(3) . . . . ?
C39 N5 Rh4 N7 158(2) . . . . ?
C39 N5 Rh4 C37 155(2) . . . . ?
C39 N5 Rh4 C38 156(3) . . . . ?
C39 C40 C41 C42 -2.6(17) . . . . ?
C40 C39 C44 N6 -176.1(9) . . . . ?
C40 C39 C44 C43 0.8(16) . . . . ?
C40 C41 C42 C43 3.1(19) . . . . ?
C41 C42 C43 C44 -1.5(17) . . . . ?
C42 C43 C44 N6 175.6(11) . . . . ?
C42 C43 C44 C39 -0.4(16) . . . . ?
C44 N6 C38 N5 1.3(12) . . . . ?
C44 N6 C38 C37 169.5(9) . . . . ?
C44 N6 C38 Rh3 161.5(10) . . . 2_756 ?
C44 N6 C38 Rh4 21(3) . . . . ?
C44 C39 C40 C41 0.7(15) . . . . ?
C45 C46 C47 Rh2 -63.3(8) . . . . ?
C45 C46 C47 C48 -1.9(14) . . . . ?
C45 C46 C47 C51 176.9(11) . . . . ?
C46 C45 C49 Rh2 58.5(7) . . . . ?
C46 C45 C49 C48 -3.8(13) . . . . ?
C46 C45 C49 C53 178.8(11) . . . . ?
C46 C47 C48 Rh2 -59.9(9) . . . . ?
C46 C47 C48 C49 -0.4(14) . . . . ?
C46 C47 C48 C52 175.5(12) . . . . ?
C47 C48 C49 Rh2 -60.0(8) . . . . ?
C47 C48 C49 C45 2.7(13) . . . . ?
C47 C48 C49 C53 -180.0(12) . . . . ?
C49 C45 C46 Rh2 -58.8(8) . . . . ?
C49 C45 C46 C47 3.4(12) . . . . ?
C49 C45 C46 C50 175.8(11) . . . . ?
C50 C46 C47 Rh2 124.6(12) . . . . ?
C50 C46 C47 C48 -174.1(12) . . . . ?
C50 C46 C47 C51 4.7(19) . . . . ?
C51 C47 C48 Rh2 121.4(13) . . . . ?
C51 C47 C48 C49 -179.1(11) . . . . ?
C51 C47 C48 C52 -3(2) . . . . ?
C52 C48 C49 Rh2 123.9(12) . . . . ?
C52 C48 C49 C45 -173.5(11) . . . . ?
C52 C48 C49 C53 3.9(19) . . . . ?
C54 C45 C46 Rh2 122.6(12) . . . . ?
C54 C45 C46 C47 -175.3(11) . . . . ?
C54 C45 C46 C50 -3(2) . . . . ?
C54 C45 C49 Rh2 -122.8(12) . . . . ?
C54 C45 C49 C48 174.9(11) . . . . ?
C54 C45 C49 C53 -2.5(19) . . . . ?
O3 S2 C55 F4 58(2) . . . . ?
O3 S2 C55 F5 -169.6(16) . . . . ?
O3 S2 C55 F6 -70.0(16) . . . . ?
O4 S2 C55 F4 -50(2) . . . . ?
O4 S2 C55 F5 82.5(17) . . . . ?
O4 S2 C55 F6 -177.9(15) . . . . ?
O5 S2 C55 F4 176.3(19) . . . . ?
O5 S2 C55 F5 -51(2) . . . . ?
O5 S2 C55 F6 48.3(19) . . . . ?
O6 S1 C56 F1 59(2) . . . . ?
O6 S1 C56 F2 178.3(19) . . . . ?
O6 S1 C56 F3 -63.0(19) . . . . ?
O7 S1 C56 F1 -178.4(17) . . . . ?
O7 S1 C56 F2 -59(2) . . . . ?
O7 S1 C56 F3 59.2(18) . . . . ?
O8 S1 C56 F1 -57(2) . . . . ?
O8 S1 C56 F2 62(2) . . . . ?
O8 S1 C56 F3 -179.8(17) . . . . ?
Rh3 N1 C11 C12 147.3(10) . . . . ?
Rh3 N1 C15 C14 -147.8(10) . . . . ?
Rh3 N6 C38 N5 -160.2(10) 2_756 . . . ?
Rh3 N6 C38 C37 8.0(11) 2_756 . . . ?
Rh3 N6 C44 C39 111(3) 2_756 . . . ?
Rh3 N6 C44 C43 -66(4) 2_756 . . . ?
Rh3 N8 C36 C31 -104(3) 2_756 . . . ?
Rh3 N8 C36 C35 72(4) 2_756 . . . ?
Rh3 N8 C37 N7 165.3(9) 2_756 . . . ?
Rh3 N8 C37 C38 -4.8(9) 2_756 . . . ?
Rh3 C37 C38 N5 161.7(10) 2_756 . . . ?
Rh3 C37 C38 N6 -6.5(9) 2_756 . . . ?
Rh4 N4 C28 C27 -156.3(12) . . . . ?
Rh4 N4 C30 C29 161.0(11) . . . . ?
Rh4 N5 C38 N6 168.9(9) . . . . ?
Rh4 N5 C38 C37 0.3(11) . . . . ?
Rh4 N5 C39 C40 21(3) . . . . ?
Rh4 N5 C39 C44 -154(2) . . . . ?
Rh4 N7 C31 C32 -50(3) . . . . ?
Rh4 N7 C31 C36 125(3) . . . . ?
Rh4 N7 C37 N8 -165.9(9) . . . . ?
Rh4 N7 C37 C38 3.8(10) . . . . ?
Rh4 C37 C38 N5 -0.2(8) . . . . ?
Rh4 C37 C38 N6 -168.4(11) . . . . ?

_smtbx_masks_special_details     
;
A solvent mask was calculated and 114 electrons were 
found in a volume of 443Å³ in 3 voids per unit cell. 
This is consistent with the presence of 
2[C3H7NO], 2.8[H2O] per Asymmetric Unit 
which account for 108 electrons 
per unit cell.
;
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.500 0.000 311.6 85.7 '2 C3H7NO'
2 0.178 0.145 0.439 12.6 0.0 ?
3 0.500 0.500 0.500 104.6 28.1 '2.8 H2O'
4 0.822 0.855 0.561 12.6 0.0 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_231117b_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2345681'
loop_
_audit_author_name
_audit_author_address
'Huijun Feng'
;Shanxi Normal University
China
;
_audit_update_record             
;
2024-04-04 deposited with the CCDC.	2024-06-19 downloaded from the CCDC.
;
_audit_creation_date             2023-11-22
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C116 H116 N16 O4 Rh4, 2(C F3 O3 S), 22[CH3OH]'
_chemical_formula_sum            'C140 H204 F6 N16 O32 Rh4 S2'
_chemical_formula_weight         3212.94
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 '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'
F F 0.0583 0.0400 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -0.0161 2.8414 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.2924 0.4247 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   13.7998(11)
_cell_length_b                   32.678(3)
_cell_length_c                   16.4748(13)
_cell_angle_alpha                90
_cell_angle_beta                 111.782(3)
_cell_angle_gamma                90
_cell_volume                     6898.8(10)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9854
_cell_measurement_temperature    173.00
_cell_measurement_theta_max      53.248
_cell_measurement_theta_min      2.774
_shelx_estimated_absorpt_T_max   0.641
_shelx_estimated_absorpt_T_min   0.577
_exptl_absorpt_coefficient_mu    3.254
_exptl_absorpt_correction_T_max  0.7505
_exptl_absorpt_correction_T_min  0.3635
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1530 before and 0.0785 after correction.
The Ratio of minimum to maximum transmission is 0.4843.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            brown
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.547
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3356
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.15
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0585
_diffrn_reflns_av_unetI/netI     0.0461
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            48986
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        52.093
_diffrn_reflns_theta_max         52.093
_diffrn_reflns_theta_min         3.223
_diffrn_ambient_temperature      173.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_source                   ?
_diffrn_source_current           2.86
_diffrn_source_power             0.19994259999999997
_diffrn_source_voltage           69.91
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8792
_reflns_number_total             11647
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         2.611
_refine_diff_density_min         -1.519
_refine_diff_density_rms         0.139
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     713
_refine_ls_number_reflns         11647
_refine_ls_number_restraints     878
_refine_ls_R_factor_all          0.1260
_refine_ls_R_factor_gt           0.1007
_refine_ls_restrained_S_all      1.071
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0100P)²+80.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2014
_refine_ls_wR_factor_ref         0.2172
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C61-F1 = C61-F4 = C61-F6
 1.33 with sigma of 0.02
 C61-S1
 1.82 with sigma of 0.02
 S1-O8 = S1-O9 = S1-O5
 1.44 with sigma of 0.02
 C8-C7
 1.53 with sigma of 0.01
 C18-C16
 1.53 with sigma of 0.01
 C61-O8
 2.58 with sigma of 0.04
 C61-O9
 2.56 with sigma of 0.04
 C61-O5
 2.57 with sigma of 0.04
 C61-F1 \\sim C61-F4 \\sim C61-F6
 with sigma of 0.02
 F1-F4 \\sim F4-F6 \\sim F6-F1
 with sigma of 0.04
 S1-F1 \\sim S1-F4 \\sim S1-F6
 with sigma of 0.04
 S1-O8 \\sim S1-O9 \\sim S1-O5
 with sigma of 0.02
 O8-O9 \\sim O9-O5 \\sim O8-O5
 with sigma of 0.04
 C61-O8 \\sim C61-O9 \\sim C61-O5
 with sigma of 0.04
3. Rigid bond restraints
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 2A
S1 \\sim F1 \\sim F4 \\sim F6 \\sim O5 \\sim O8 \\sim O9 \\sim C61: within 2A
with sigma of 0.04 and sigma for terminal atoms of 0.08 within 2A
Uanis(O5) \\sim Ueq, Uanis(C61) \\sim Ueq, Uanis(F1) \\sim Ueq, Uanis(F4) \\sim
Ueq, Uanis(F6) \\sim Ueq, Uanis(S1) \\sim Ueq, Uanis(O8) \\sim Ueq, Uanis(O9)
\\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
5. Rigid body (RIGU) restrains
 S1, F1, F4, F6, O5, O8, O9, C61
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6.a Secondary CH2 refined with riding coordinates:
 C6(H6A,H6B), C19(H19A,H19B)
6.b Aromatic/amide H refined with riding coordinates:
 N3(H3), N7(H7), C1(H1), C2(H2), C4(H4), C5(H5), C9(H9), C10(H10), C13(H13),
 C14(H14), C15(H15), C17(H17), C21(H21), C22(H22), C23(H23), C24(H24), C36(H36),
  C37(H37), C38(H38), C39(H39), C44(H44), C45(H45), C46(H46), C47(H47)
6.c Idealised Me refined as rotating group:
 C30(H30A,H30B,H30C), C31(H31A,H31B,H31C), C32(H32A,H32B,H32C), C33(H33A,H33B,
 H33C), C34(H34A,H34B,H34C), C54(H54A,H54B,H54C), C55(H55A,H55B,H55C), C56(H56A,
 H56B,H56C), C57(H57A,H57B,H57C), C58(H58A,H58B,H58C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 0.25946(5) 0.32497(2) 0.43989(5) 0.0519(2) Uani 1 1 d . U . . .
Rh2 Rh 0.17853(6) 0.43040(2) 0.15543(5) 0.0579(2) Uani 1 1 d . U . . .
O1 O 1.1606(10) 0.6635(4) 0.3662(9) 0.162(5) Uani 1 1 d . U . . .
O4 O 0.8216(10) 0.4025(3) 0.3598(9) 0.165(5) Uani 1 1 d . U . . .
N1 N 1.5899(5) 0.6702(2) 0.5644(5) 0.0495(15) Uani 1 1 d . U . . .
N2 N 0.1672(5) 0.3669(2) 0.1844(5) 0.0537(15) Uani 1 1 d . U . . .
N3 N 1.2067(7) 0.6370(3) 0.5044(7) 0.086(2) Uani 1 1 d . U . . .
H3 H 1.203426 0.615344 0.535128 0.103 Uiso 1 1 calc R U . . .
N4 N 0.2488(6) 0.3913(2) 0.4117(5) 0.0546(15) Uani 1 1 d . U . . .
N5 N 0.3365(6) 0.4192(2) 0.1778(5) 0.0635(17) Uani 1 1 d . U . . .
N6 N 0.2242(5) 0.4333(2) 0.2955(5) 0.0519(14) Uani 1 1 d . U . . .
N7 N 0.7239(7) 0.4366(3) 0.2336(7) 0.096(3) Uani 1 1 d . U . . .
H7 H 0.712300 0.460135 0.205492 0.116 Uiso 1 1 calc R U . . .
N8 N 0.2013(5) 0.3239(2) 0.3010(5) 0.0499(14) Uani 1 1 d . U . . .
C1 C 1.5584(7) 0.6930(3) 0.6185(6) 0.0575(19) Uani 1 1 d . U . . .
H1 H 1.608464 0.709713 0.660611 0.069 Uiso 1 1 calc R U . . .
C2 C 1.4583(7) 0.6932(3) 0.6156(7) 0.063(2) Uani 1 1 d . U . . .
H2 H 1.439234 0.710714 0.653221 0.076 Uiso 1 1 calc R U . . .
C3 C 1.3855(7) 0.6680(3) 0.5583(7) 0.0615(19) Uani 1 1 d . U . . .
C4 C 1.4165(7) 0.6435(3) 0.5036(7) 0.060(2) Uani 1 1 d . U . . .
H4 H 1.368385 0.625594 0.462858 0.072 Uiso 1 1 calc R U . . .
C5 C 1.5182(7) 0.6458(3) 0.5096(6) 0.0549(19) Uani 1 1 d . U . . .
H5 H 1.538769 0.628738 0.472172 0.066 Uiso 1 1 calc R U . . .
C6 C 1.2720(8) 0.6707(3) 0.5504(8) 0.079(2) Uani 1 1 d . U . . .
H6A H 1.270382 0.672239 0.609936 0.095 Uiso 1 1 calc R U . . .
H6B H 1.241747 0.696478 0.519855 0.095 Uiso 1 1 calc R U . . .
C7 C 1.1539(10) 0.6364(4) 0.4229(10) 0.100(3) Uani 1 1 d D U . . .
C8 C 1.0769(10) 0.6007(4) 0.3903(9) 0.098(3) Uani 1 1 d D U . . .
C9 C 0.9846(10) 0.6092(4) 0.3245(9) 0.099(3) Uani 1 1 d . U . . .
H9 H 0.971520 0.635730 0.299214 0.119 Uiso 1 1 calc R U . . .
C10 C 0.9066(10) 0.5774(4) 0.2935(8) 0.088(3) Uani 1 1 d . U . . .
H10 H 0.839027 0.581789 0.250427 0.106 Uiso 1 1 calc R U . . .
C11 C 0.9392(9) 0.5408(4) 0.3316(8) 0.081(2) Uani 1 1 d . U . . .
C12 C 1.0316(10) 0.5297(4) 0.3928(8) 0.084(2) Uani 1 1 d . U . . .
C13 C 1.1078(9) 0.5642(4) 0.4310(9) 0.087(3) Uani 1 1 d . U . . .
H13 H 1.171710 0.560642 0.479249 0.105 Uiso 1 1 calc R U . . .
C14 C 1.0593(9) 0.4922(4) 0.4276(8) 0.081(2) Uani 1 1 d . U . . .
H14 H 1.126805 0.487156 0.470221 0.097 Uiso 1 1 calc R U . . .
C15 C 0.9854(10) 0.4609(4) 0.3987(9) 0.097(3) Uani 1 1 d . U . . .
H15 H 1.001663 0.434032 0.422041 0.117 Uiso 1 1 calc R U . . .
C16 C 0.8861(10) 0.4695(4) 0.3344(9) 0.093(3) Uani 1 1 d D U . . .
C17 C 0.8570(10) 0.5065(4) 0.3003(9) 0.093(3) Uani 1 1 d . U . . .
H17 H 0.788920 0.511573 0.258656 0.112 Uiso 1 1 calc R U . . .
C18 C 0.8069(11) 0.4341(4) 0.3093(10) 0.103(3) Uani 1 1 d D U . . .
C19 C 0.6519(9) 0.4029(4) 0.1951(9) 0.094(3) Uani 1 1 d . U . . .
H19A H 0.681202 0.377649 0.228262 0.113 Uiso 1 1 calc R U . . .
H19B H 0.647915 0.398743 0.134410 0.113 Uiso 1 1 calc R U . . .
C20 C 0.5450(9) 0.4087(4) 0.1934(8) 0.081(2) Uani 1 1 d . U . . .
C21 C 0.5142(9) 0.4397(4) 0.2326(8) 0.085(3) Uani 1 1 d . U . . .
H21 H 0.564532 0.459082 0.266034 0.102 Uiso 1 1 calc R U . . .
C22 C 0.4137(8) 0.4441(3) 0.2256(7) 0.075(2) Uani 1 1 d . U . . .
H22 H 0.397191 0.465922 0.256246 0.090 Uiso 1 1 calc R U . . .
C23 C 0.3657(8) 0.3884(3) 0.1384(7) 0.073(2) Uani 1 1 d . U . . .
H23 H 0.313930 0.369443 0.105424 0.087 Uiso 1 1 calc R U . . .
C24 C 0.4673(8) 0.3826(3) 0.1426(8) 0.078(2) Uani 1 1 d . U . . .
H24 H 0.483095 0.360910 0.111017 0.093 Uiso 1 1 calc R U . . .
C25 C 0.1009(9) 0.4895(4) 0.1258(7) 0.077(2) Uani 1 1 d . U . . .
C26 C 0.0299(8) 0.4584(3) 0.1100(7) 0.072(2) Uani 1 1 d . U . . .
C27 C 0.0364(9) 0.4319(4) 0.0428(7) 0.077(2) Uani 1 1 d . U . . .
C28 C 0.1214(9) 0.4464(4) 0.0200(7) 0.077(2) Uani 1 1 d . U . . .
C29 C 0.1596(9) 0.4829(4) 0.0715(7) 0.078(2) Uani 1 1 d . U . . .
C30 C 0.1177(11) 0.5243(4) 0.1872(9) 0.106(4) Uani 1 1 d . U . . .
H30A H 0.102052 0.515693 0.237964 0.159 Uiso 1 1 calc R U . . .
H30B H 0.071529 0.546979 0.157617 0.159 Uiso 1 1 calc R U . . .
H30C H 0.190487 0.533324 0.206451 0.159 Uiso 1 1 calc R U . . .
C31 C -0.0515(10) 0.4547(4) 0.1533(9) 0.104(4) Uani 1 1 d . U . . .
H31A H -0.090694 0.429117 0.134595 0.156 Uiso 1 1 calc R U . . .
H31B H -0.099603 0.477923 0.135855 0.156 Uiso 1 1 calc R U . . .
H31C H -0.015835 0.454547 0.217034 0.156 Uiso 1 1 calc R U . . .
C32 C -0.0332(10) 0.3968(4) 0.0043(9) 0.111(4) Uani 1 1 d . U . . .
H32A H -0.006859 0.381627 -0.034462 0.167 Uiso 1 1 calc R U . . .
H32B H -0.103727 0.406855 -0.029151 0.167 Uiso 1 1 calc R U . . .
H32C H -0.035124 0.378766 0.051200 0.167 Uiso 1 1 calc R U . . .
C33 C 0.1572(11) 0.4299(5) -0.0481(8) 0.112(4) Uani 1 1 d . U . . .
H33A H 0.233113 0.432842 -0.028726 0.169 Uiso 1 1 calc R U . . .
H33B H 0.123708 0.445184 -0.102667 0.169 Uiso 1 1 calc R U . . .
H33C H 0.138333 0.400953 -0.057999 0.169 Uiso 1 1 calc R U . . .
C34 C 0.2446(11) 0.5102(4) 0.0664(10) 0.111(4) Uani 1 1 d . U . . .
H34A H 0.280870 0.523059 0.123413 0.167 Uiso 1 1 calc R U . . .
H34B H 0.214055 0.531467 0.022291 0.167 Uiso 1 1 calc R U . . .
H34C H 0.294302 0.493971 0.050142 0.167 Uiso 1 1 calc R U . . .
C35 C 0.1641(7) 0.3269(3) 0.1535(6) 0.0549(17) Uani 1 1 d . U . . .
C36 C 0.1499(7) 0.3120(3) 0.0695(7) 0.068(2) Uani 1 1 d . U . . .
H36 H 0.136480 0.329893 0.021075 0.082 Uiso 1 1 calc R U . . .
C37 C 0.1564(8) 0.2703(4) 0.0614(8) 0.080(3) Uani 1 1 d . U . . .
H37 H 0.146002 0.259336 0.005376 0.096 Uiso 1 1 calc R U . . .
C38 C 0.1776(8) 0.2435(4) 0.1316(8) 0.079(3) Uani 1 1 d . U . . .
H38 H 0.181762 0.214956 0.122705 0.095 Uiso 1 1 calc R U . . .
C39 C 0.1926(7) 0.2581(3) 0.2140(7) 0.068(2) Uani 1 1 d . U . . .
H39 H 0.208229 0.239988 0.262290 0.082 Uiso 1 1 calc R U . . .
C40 C 0.1840(7) 0.3007(3) 0.2247(6) 0.0554(17) Uani 1 1 d . U . . .
C41 C 0.1877(6) 0.3620(2) 0.2685(6) 0.0498(16) Uani 1 1 d . U . . .
C42 C 0.2142(7) 0.3961(3) 0.3255(6) 0.0532(17) Uani 1 1 d . U . . .
C43 C 0.2885(7) 0.4292(3) 0.4452(6) 0.0544(18) Uani 1 1 d . U . . .
C44 C 0.3379(8) 0.4434(3) 0.5286(7) 0.067(2) Uani 1 1 d . U . . .
H44 H 0.346386 0.426248 0.577390 0.080 Uiso 1 1 calc R U . . .
C45 C 0.3754(8) 0.4831(3) 0.5408(8) 0.076(2) Uani 1 1 d . U . . .
H45 H 0.410654 0.493119 0.598430 0.091 Uiso 1 1 calc R U . . .
C46 C 0.3617(8) 0.5090(3) 0.4684(8) 0.076(2) Uani 1 1 d . U . . .
H46 H 0.388449 0.536101 0.478349 0.091 Uiso 1 1 calc R U . . .
C47 C 0.3109(7) 0.4958(3) 0.3848(7) 0.061(2) Uani 1 1 d . U . . .
H47 H 0.301576 0.513545 0.336792 0.074 Uiso 1 1 calc R U . . .
C48 C 0.2723(7) 0.4554(3) 0.3705(6) 0.0530(17) Uani 1 1 d . U . . .
C49 C 0.3120(8) 0.2947(3) 0.5664(7) 0.068(2) Uani 1 1 d . U . . .
C50 C 0.2624(8) 0.2656(3) 0.4953(7) 0.069(2) Uani 1 1 d . U . . .
C51 C 0.1565(8) 0.2775(3) 0.4534(7) 0.071(2) Uani 1 1 d . U . . .
C52 C 0.1415(8) 0.3155(3) 0.4924(7) 0.073(2) Uani 1 1 d . U . . .
C53 C 0.2353(9) 0.3242(3) 0.5610(7) 0.071(2) Uani 1 1 d . U . . .
C54 C 0.4185(9) 0.2927(4) 0.6309(7) 0.087(3) Uani 1 1 d . U . . .
H54A H 0.461357 0.275815 0.608113 0.130 Uiso 1 1 calc R U . . .
H54B H 0.417661 0.280514 0.685050 0.130 Uiso 1 1 calc R U . . .
H54C H 0.447783 0.320337 0.642957 0.130 Uiso 1 1 calc R U . . .
C55 C 0.3156(10) 0.2281(3) 0.4797(8) 0.086(3) Uani 1 1 d . U . . .
H55A H 0.277828 0.218117 0.420164 0.129 Uiso 1 1 calc R U . . .
H55B H 0.316214 0.206887 0.521807 0.129 Uiso 1 1 calc R U . . .
H55C H 0.387419 0.234937 0.486731 0.129 Uiso 1 1 calc R U . . .
C56 C 0.0749(9) 0.2538(4) 0.3828(8) 0.092(3) Uani 1 1 d . U . . .
H56A H 0.027588 0.272814 0.340515 0.137 Uiso 1 1 calc R U . . .
H56B H 0.035102 0.236967 0.408775 0.137 Uiso 1 1 calc R U . . .
H56C H 0.108591 0.236085 0.353098 0.137 Uiso 1 1 calc R U . . .
C57 C 0.0377(9) 0.3374(4) 0.4688(9) 0.096(4) Uani 1 1 d . U . . .
H57A H 0.049977 0.366778 0.479708 0.144 Uiso 1 1 calc R U . . .
H57B H 0.000503 0.326684 0.504710 0.144 Uiso 1 1 calc R U . . .
H57C H -0.004373 0.332870 0.406909 0.144 Uiso 1 1 calc R U . . .
C58 C 0.2487(11) 0.3586(4) 0.6247(8) 0.094(3) Uani 1 1 d . U . . .
H58A H 0.322491 0.366387 0.650309 0.141 Uiso 1 1 calc R U . . .
H58B H 0.225168 0.349730 0.671184 0.141 Uiso 1 1 calc R U . . .
H58C H 0.207193 0.382194 0.594223 0.141 Uiso 1 1 calc R U . . .
S1 S 0.4167(8) 0.5903(3) 0.2633(7) 0.255(3) Uani 1 1 d D U . . .
F1 F 0.3544(16) 0.6594(5) 0.2087(13) 0.317(6) Uani 1 1 d D U . . .
F4 F 0.2560(13) 0.6109(6) 0.1528(13) 0.321(6) Uani 1 1 d D U . . .
F6 F 0.3961(16) 0.6166(6) 0.1080(12) 0.321(6) Uani 1 1 d D U . . .
O5 O 0.4143(16) 0.5500(5) 0.2261(13) 0.279(6) Uani 1 1 d D U . . .
O8 O 0.5184(12) 0.6077(6) 0.3012(13) 0.295(6) Uani 1 1 d D U . . .
O9 O 0.3417(16) 0.5959(7) 0.3041(13) 0.297(6) Uani 1 1 d D U . . .
C61 C 0.3524(15) 0.6242(6) 0.1656(11) 0.284(5) 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 2.113(7) 3_766 ?
Rh1 N4 2.210(7) . ?
Rh1 N8 2.125(7) . ?
Rh1 C49 2.173(9) . ?
Rh1 C50 2.139(9) . ?
Rh1 C51 2.169(10) . ?
Rh1 C52 2.131(10) . ?
Rh1 C53 2.141(11) . ?
Rh2 N2 2.149(7) . ?
Rh2 N5 2.103(8) . ?
Rh2 N6 2.157(7) . ?
Rh2 C25 2.173(10) . ?
Rh2 C26 2.113(9) . ?
Rh2 C27 2.143(10) . ?
Rh2 C28 2.137(10) . ?
Rh2 C29 2.157(10) . ?
O1 C7 1.314(16) . ?
O4 C18 1.294(17) . ?
N1 C1 1.350(11) . ?
N1 C5 1.329(11) . ?
N2 C35 1.398(11) . ?
N2 C41 1.317(11) . ?
N3 H3 0.8800 . ?
N3 C6 1.448(14) . ?
N3 C7 1.268(16) . ?
N4 C42 1.330(11) . ?
N4 C43 1.383(11) . ?
N5 C22 1.339(12) . ?
N5 C23 1.339(12) . ?
N6 C42 1.338(11) . ?
N6 C48 1.372(11) . ?
N7 H7 0.8800 . ?
N7 C18 1.346(16) . ?
N7 C19 1.462(15) . ?
N8 C40 1.410(11) . ?
N8 C41 1.343(10) . ?
C1 H1 0.9500 . ?
C1 C2 1.365(12) . ?
C2 H2 0.9500 . ?
C2 C3 1.367(13) . ?
C3 C4 1.387(13) . ?
C3 C6 1.526(13) . ?
C4 H4 0.9500 . ?
C4 C5 1.371(12) . ?
C5 H5 0.9500 . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.536(9) . ?
C8 C9 1.360(17) . ?
C8 C13 1.357(16) . ?
C9 H9 0.9500 . ?
C9 C10 1.447(17) . ?
C10 H10 0.9500 . ?
C10 C11 1.347(15) . ?
C11 C12 1.349(16) . ?
C11 C17 1.540(17) . ?
C12 C13 1.511(17) . ?
C12 C14 1.346(15) . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C14 C15 1.397(17) . ?
C15 H15 0.9500 . ?
C15 C16 1.415(17) . ?
C16 C17 1.332(17) . ?
C16 C18 1.538(9) . ?
C17 H17 0.9500 . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C19 C20 1.478(15) . ?
C20 C21 1.352(15) . ?
C20 C24 1.383(15) . ?
C21 H21 0.9500 . ?
C21 C22 1.356(14) . ?
C22 H22 0.9500 . ?
C23 H23 0.9500 . ?
C23 C24 1.390(14) . ?
C24 H24 0.9500 . ?
C25 C26 1.368(16) . ?
C25 C29 1.428(15) . ?
C25 C30 1.483(16) . ?
C26 C27 1.434(15) . ?
C26 C31 1.542(15) . ?
C27 C28 1.438(16) . ?
C27 C32 1.479(16) . ?
C28 C29 1.443(16) . ?
C28 C33 1.485(15) . ?
C29 C34 1.502(16) . ?
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 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 C36 1.409(13) . ?
C35 C40 1.393(13) . ?
C36 H36 0.9500 . ?
C36 C37 1.375(14) . ?
C37 H37 0.9500 . ?
C37 C38 1.393(16) . ?
C38 H38 0.9500 . ?
C38 C39 1.380(15) . ?
C39 H39 0.9500 . ?
C39 C40 1.414(13) . ?
C41 C42 1.415(12) . ?
C43 C44 1.369(13) . ?
C43 C48 1.448(12) . ?
C44 H44 0.9500 . ?
C44 C45 1.384(14) . ?
C45 H45 0.9500 . ?
C45 C46 1.417(15) . ?
C46 H46 0.9500 . ?
C46 C47 1.364(14) . ?
C47 H47 0.9500 . ?
C47 C48 1.410(12) . ?
C49 C50 1.466(15) . ?
C49 C53 1.410(14) . ?
C49 C54 1.461(14) . ?
C50 C51 1.420(14) . ?
C50 C55 1.497(14) . ?
C51 C52 1.446(15) . ?
C51 C56 1.500(15) . ?
C52 C53 1.396(15) . ?
C52 C57 1.517(14) . ?
C53 C58 1.503(15) . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
S1 O5 1.447(12) . ?
S1 O8 1.426(12) . ?
S1 O9 1.439(12) . ?
S1 C61 1.884(16) . ?
F1 C61 1.346(12) . ?
F4 C61 1.341(12) . ?
F6 C61 1.322(12) . ?

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 N4 84.8(3) 3_766 . ?
N1 Rh1 N8 87.0(3) 3_766 . ?
N1 Rh1 C49 94.8(3) 3_766 . ?
N1 Rh1 C50 102.7(3) 3_766 . ?
N1 Rh1 C51 138.4(3) 3_766 . ?
N1 Rh1 C52 159.1(4) 3_766 . ?
N1 Rh1 C53 121.8(4) 3_766 . ?
N8 Rh1 N4 79.7(3) . . ?
N8 Rh1 C49 152.0(4) . . ?
N8 Rh1 C50 112.6(4) . . ?
N8 Rh1 C51 95.6(4) . . ?
N8 Rh1 C52 113.2(4) . . ?
N8 Rh1 C53 151.1(4) . . ?
C49 Rh1 N4 128.3(4) . . ?
C50 Rh1 N4 165.7(4) . . ?
C50 Rh1 C49 39.7(4) . . ?
C50 Rh1 C51 38.5(4) . . ?
C50 Rh1 C53 64.9(4) . . ?
C51 Rh1 N4 136.7(3) . . ?
C51 Rh1 C49 64.9(4) . . ?
C52 Rh1 N4 103.1(3) . . ?
C52 Rh1 C49 65.1(4) . . ?
C52 Rh1 C50 65.9(4) . . ?
C52 Rh1 C51 39.3(4) . . ?
C52 Rh1 C53 38.2(4) . . ?
C53 Rh1 N4 100.7(3) . . ?
C53 Rh1 C49 38.1(4) . . ?
C53 Rh1 C51 64.0(4) . . ?
N2 Rh2 N6 79.7(3) . . ?
N2 Rh2 C25 146.9(4) . . ?
N2 Rh2 C29 155.3(4) . . ?
N5 Rh2 N2 87.1(3) . . ?
N5 Rh2 N6 87.0(3) . . ?
N5 Rh2 C25 125.9(4) . . ?
N5 Rh2 C26 160.8(4) . . ?
N5 Rh2 C27 135.4(4) . . ?
N5 Rh2 C28 100.5(4) . . ?
N5 Rh2 C29 97.0(4) . . ?
N6 Rh2 C25 97.2(4) . . ?
C26 Rh2 N2 110.8(4) . . ?
C26 Rh2 N6 102.7(3) . . ?
C26 Rh2 C25 37.2(4) . . ?
C26 Rh2 C27 39.4(4) . . ?
C26 Rh2 C28 65.9(4) . . ?
C26 Rh2 C29 63.8(4) . . ?
C27 Rh2 N2 95.5(4) . . ?
C27 Rh2 N6 137.4(4) . . ?
C27 Rh2 C25 64.4(4) . . ?
C27 Rh2 C29 64.6(5) . . ?
C28 Rh2 N2 116.1(4) . . ?
C28 Rh2 N6 162.6(4) . . ?
C28 Rh2 C25 65.7(4) . . ?
C28 Rh2 C27 39.3(4) . . ?
C28 Rh2 C29 39.3(4) . . ?
C29 Rh2 N6 124.7(4) . . ?
C29 Rh2 C25 38.5(4) . . ?
C1 N1 Rh1 122.8(6) . 3_766 ?
C5 N1 Rh1 121.1(6) . 3_766 ?
C5 N1 C1 116.0(8) . . ?
C35 N2 Rh2 144.9(6) . . ?
C41 N2 Rh2 110.2(6) . . ?
C41 N2 C35 103.7(7) . . ?
C6 N3 H3 117.7 . . ?
C7 N3 H3 117.7 . . ?
C7 N3 C6 124.5(11) . . ?
C42 N4 Rh1 108.0(5) . . ?
C42 N4 C43 104.6(7) . . ?
C43 N4 Rh1 144.0(6) . . ?
C22 N5 Rh2 123.0(7) . . ?
C23 N5 Rh2 121.7(7) . . ?
C23 N5 C22 115.0(9) . . ?
C42 N6 Rh2 109.1(6) . . ?
C42 N6 C48 103.2(7) . . ?
C48 N6 Rh2 147.0(6) . . ?
C18 N7 H7 117.8 . . ?
C18 N7 C19 124.3(12) . . ?
C19 N7 H7 117.8 . . ?
C40 N8 Rh1 147.2(6) . . ?
C41 N8 Rh1 110.8(6) . . ?
C41 N8 C40 100.9(7) . . ?
N1 C1 H1 118.4 . . ?
N1 C1 C2 123.3(9) . . ?
C2 C1 H1 118.3 . . ?
C1 C2 H2 120.1 . . ?
C1 C2 C3 119.7(9) . . ?
C3 C2 H2 120.1 . . ?
C2 C3 C4 118.1(9) . . ?
C2 C3 C6 119.5(9) . . ?
C4 C3 C6 122.1(9) . . ?
C3 C4 H4 120.8 . . ?
C5 C4 C3 118.3(9) . . ?
C5 C4 H4 120.8 . . ?
N1 C5 C4 124.5(9) . . ?
N1 C5 H5 117.8 . . ?
C4 C5 H5 117.8 . . ?
N3 C6 C3 114.9(9) . . ?
N3 C6 H6A 108.5 . . ?
N3 C6 H6B 108.5 . . ?
C3 C6 H6A 108.5 . . ?
C3 C6 H6B 108.5 . . ?
H6A C6 H6B 107.5 . . ?
O1 C7 C8 119.0(14) . . ?
N3 C7 O1 125.4(12) . . ?
N3 C7 C8 115.6(13) . . ?
C9 C8 C7 116.4(13) . . ?
C13 C8 C7 116.5(12) . . ?
C13 C8 C9 127.1(13) . . ?
C8 C9 H9 120.4 . . ?
C8 C9 C10 119.2(13) . . ?
C10 C9 H9 120.4 . . ?
C9 C10 H10 123.3 . . ?
C11 C10 C9 113.4(12) . . ?
C11 C10 H10 123.3 . . ?
C10 C11 C12 130.4(13) . . ?
C10 C11 C17 114.3(11) . . ?
C12 C11 C17 115.3(11) . . ?
C11 C12 C13 115.3(11) . . ?
C14 C12 C11 127.2(13) . . ?
C14 C12 C13 117.3(12) . . ?
C8 C13 C12 114.1(11) . . ?
C8 C13 H13 123.0 . . ?
C12 C13 H13 123.0 . . ?
C12 C14 H14 121.1 . . ?
C12 C14 C15 117.7(12) . . ?
C15 C14 H14 121.1 . . ?
C14 C15 H15 120.3 . . ?
C14 C15 C16 119.4(12) . . ?
C16 C15 H15 120.3 . . ?
C15 C16 C18 116.5(12) . . ?
C17 C16 C15 123.6(12) . . ?
C17 C16 C18 119.8(13) . . ?
C11 C17 H17 121.6 . . ?
C16 C17 C11 116.8(12) . . ?
C16 C17 H17 121.6 . . ?
O4 C18 N7 121.4(12) . . ?
O4 C18 C16 120.0(13) . . ?
N7 C18 C16 118.6(13) . . ?
N7 C19 H19A 108.5 . . ?
N7 C19 H19B 108.5 . . ?
N7 C19 C20 115.2(10) . . ?
H19A C19 H19B 107.5 . . ?
C20 C19 H19A 108.5 . . ?
C20 C19 H19B 108.5 . . ?
C21 C20 C19 125.1(11) . . ?
C21 C20 C24 116.2(10) . . ?
C24 C20 C19 118.5(10) . . ?
C20 C21 H21 119.0 . . ?
C20 C21 C22 122.0(11) . . ?
C22 C21 H21 119.0 . . ?
N5 C22 C21 123.5(10) . . ?
N5 C22 H22 118.2 . . ?
C21 C22 H22 118.2 . . ?
N5 C23 H23 118.0 . . ?
N5 C23 C24 124.0(10) . . ?
C24 C23 H23 118.0 . . ?
C20 C24 C23 119.0(10) . . ?
C20 C24 H24 120.5 . . ?
C23 C24 H24 120.5 . . ?
C26 C25 Rh2 69.0(6) . . ?
C26 C25 C29 107.5(11) . . ?
C26 C25 C30 128.2(12) . . ?
C29 C25 Rh2 70.1(6) . . ?
C29 C25 C30 124.2(12) . . ?
C30 C25 Rh2 126.1(8) . . ?
C25 C26 Rh2 73.8(6) . . ?
C25 C26 C27 110.4(10) . . ?
C25 C26 C31 124.4(11) . . ?
C27 C26 Rh2 71.4(6) . . ?
C27 C26 C31 125.1(12) . . ?
C31 C26 Rh2 125.5(7) . . ?
C26 C27 Rh2 69.2(6) . . ?
C26 C27 C28 107.1(11) . . ?
C26 C27 C32 125.5(12) . . ?
C28 C27 Rh2 70.1(6) . . ?
C28 C27 C32 127.3(12) . . ?
C32 C27 Rh2 126.3(8) . . ?
C27 C28 Rh2 70.6(6) . . ?
C27 C28 C29 105.9(10) . . ?
C27 C28 C33 127.6(13) . . ?
C29 C28 Rh2 71.1(6) . . ?
C29 C28 C33 126.3(12) . . ?
C33 C28 Rh2 127.1(7) . . ?
C25 C29 Rh2 71.4(6) . . ?
C25 C29 C28 109.0(11) . . ?
C25 C29 C34 125.5(12) . . ?
C28 C29 Rh2 69.6(6) . . ?
C28 C29 C34 125.5(12) . . ?
C34 C29 Rh2 126.7(8) . . ?
C25 C30 H30A 109.5 . . ?
C25 C30 H30B 109.5 . . ?
C25 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C26 C31 H31A 109.5 . . ?
C26 C31 H31B 109.5 . . ?
C26 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C27 C32 H32A 109.5 . . ?
C27 C32 H32B 109.5 . . ?
C27 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C28 C33 H33A 109.5 . . ?
C28 C33 H33B 109.5 . . ?
C28 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C29 C34 H34A 109.5 . . ?
C29 C34 H34B 109.5 . . ?
C29 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
N2 C35 C36 130.8(9) . . ?
C40 C35 N2 107.2(8) . . ?
C40 C35 C36 121.9(9) . . ?
C35 C36 H36 121.7 . . ?
C37 C36 C35 116.5(11) . . ?
C37 C36 H36 121.7 . . ?
C36 C37 H37 118.6 . . ?
C36 C37 C38 122.9(11) . . ?
C38 C37 H37 118.6 . . ?
C37 C38 H38 119.7 . . ?
C39 C38 C37 120.6(11) . . ?
C39 C38 H38 119.7 . . ?
C38 C39 H39 120.9 . . ?
C38 C39 C40 118.3(11) . . ?
C40 C39 H39 120.9 . . ?
N8 C40 C39 130.2(9) . . ?
C35 C40 N8 109.8(8) . . ?
C35 C40 C39 119.9(9) . . ?
N2 C41 N8 118.4(8) . . ?
N2 C41 C42 120.4(8) . . ?
N8 C41 C42 120.2(8) . . ?
N4 C42 N6 117.2(8) . . ?
N4 C42 C41 121.2(8) . . ?
N6 C42 C41 120.4(8) . . ?
N4 C43 C48 106.1(8) . . ?
C44 C43 N4 132.9(9) . . ?
C44 C43 C48 121.0(8) . . ?
C43 C44 H44 120.5 . . ?
C43 C44 C45 118.9(10) . . ?
C45 C44 H44 120.5 . . ?
C44 C45 H45 119.6 . . ?
C44 C45 C46 120.8(10) . . ?
C46 C45 H45 119.6 . . ?
C45 C46 H46 119.4 . . ?
C47 C46 C45 121.3(10) . . ?
C47 C46 H46 119.4 . . ?
C46 C47 H47 120.5 . . ?
C46 C47 C48 119.0(10) . . ?
C48 C47 H47 120.5 . . ?
N6 C48 C43 108.9(7) . . ?
N6 C48 C47 132.1(9) . . ?
C47 C48 C43 118.9(8) . . ?
C50 C49 Rh1 68.9(5) . . ?
C53 C49 Rh1 69.7(6) . . ?
C53 C49 C50 106.0(9) . . ?
C53 C49 C54 127.3(11) . . ?
C54 C49 Rh1 127.4(7) . . ?
C54 C49 C50 126.7(10) . . ?
C49 C50 Rh1 71.4(5) . . ?
C49 C50 C55 123.7(10) . . ?
C51 C50 Rh1 71.9(6) . . ?
C51 C50 C49 107.5(9) . . ?
C51 C50 C55 128.5(11) . . ?
C55 C50 Rh1 126.9(7) . . ?
C50 C51 Rh1 69.6(6) . . ?
C50 C51 C52 108.1(10) . . ?
C50 C51 C56 125.2(11) . . ?
C52 C51 Rh1 68.9(6) . . ?
C52 C51 C56 126.7(10) . . ?
C56 C51 Rh1 128.5(8) . . ?
C51 C52 Rh1 71.8(6) . . ?
C51 C52 C57 124.7(11) . . ?
C53 C52 Rh1 71.3(6) . . ?
C53 C52 C51 106.9(9) . . ?
C53 C52 C57 127.9(11) . . ?
C57 C52 Rh1 128.2(8) . . ?
C49 C53 Rh1 72.2(6) . . ?
C49 C53 C58 124.9(11) . . ?
C52 C53 Rh1 70.5(6) . . ?
C52 C53 C49 111.2(10) . . ?
C52 C53 C58 123.7(10) . . ?
C58 C53 Rh1 128.4(8) . . ?
C49 C54 H54A 109.5 . . ?
C49 C54 H54B 109.5 . . ?
C49 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C50 C55 H55A 109.5 . . ?
C50 C55 H55B 109.5 . . ?
C50 C55 H55C 109.5 . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C51 C56 H56A 109.5 . . ?
C51 C56 H56B 109.5 . . ?
C51 C56 H56C 109.5 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C52 C57 H57A 109.5 . . ?
C52 C57 H57B 109.5 . . ?
C52 C57 H57C 109.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C53 C58 H58A 109.5 . . ?
C53 C58 H58B 109.5 . . ?
C53 C58 H58C 109.5 . . ?
H58A C58 H58B 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
O5 S1 C61 104.1(11) . . ?
O8 S1 O5 114.4(13) . . ?
O8 S1 O9 120.5(14) . . ?
O8 S1 C61 102.3(11) . . ?
O9 S1 O5 113.9(13) . . ?
O9 S1 C61 97.6(11) . . ?
F1 C61 S1 98.1(13) . . ?
F4 C61 S1 93.9(12) . . ?
F4 C61 F1 100.7(14) . . ?
F6 C61 S1 107.9(14) . . ?
F6 C61 F1 127.8(18) . . ?
F6 C61 F4 121.1(17) . . ?

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 N1 C1 C2 173.1(7) 3_766 . . . ?
Rh1 N1 C5 C4 -174.4(7) 3_766 . . . ?
Rh1 N4 C42 N6 -165.5(6) . . . . ?
Rh1 N4 C42 C41 2.1(10) . . . . ?
Rh1 N4 C43 C44 -22.9(18) . . . . ?
Rh1 N4 C43 C48 154.9(8) . . . . ?
Rh1 N8 C40 C35 -163.9(8) . . . . ?
Rh1 N8 C40 C39 10.4(17) . . . . ?
Rh1 N8 C41 N2 169.9(6) . . . . ?
Rh1 N8 C41 C42 1.7(10) . . . . ?
Rh1 C49 C50 C51 -63.2(7) . . . . ?
Rh1 C49 C50 C55 122.5(10) . . . . ?
Rh1 C49 C53 C52 60.0(8) . . . . ?
Rh1 C49 C53 C58 -124.8(11) . . . . ?
Rh1 C50 C51 C52 -58.3(7) . . . . ?
Rh1 C50 C51 C56 123.4(11) . . . . ?
Rh1 C51 C52 C53 -63.1(7) . . . . ?
Rh1 C51 C52 C57 124.3(11) . . . . ?
Rh1 C52 C53 C49 -61.0(7) . . . . ?
Rh1 C52 C53 C58 123.7(10) . . . . ?
Rh2 N2 C35 C36 -12.8(17) . . . . ?
Rh2 N2 C35 C40 164.0(8) . . . . ?
Rh2 N2 C41 N8 -169.1(6) . . . . ?
Rh2 N2 C41 C42 -1.0(10) . . . . ?
Rh2 N5 C22 C21 -172.4(9) . . . . ?
Rh2 N5 C23 C24 172.0(9) . . . . ?
Rh2 N6 C42 N4 173.6(6) . . . . ?
Rh2 N6 C42 C41 5.8(10) . . . . ?
Rh2 N6 C48 C43 -167.7(8) . . . . ?
Rh2 N6 C48 C47 8.3(17) . . . . ?
Rh2 C25 C26 C27 -62.5(7) . . . . ?
Rh2 C25 C26 C31 122.2(10) . . . . ?
Rh2 C25 C29 C28 59.7(7) . . . . ?
Rh2 C25 C29 C34 -122.3(11) . . . . ?
Rh2 C26 C27 C28 -60.2(7) . . . . ?
Rh2 C26 C27 C32 120.5(10) . . . . ?
Rh2 C27 C28 C29 -62.8(7) . . . . ?
Rh2 C27 C28 C33 122.4(11) . . . . ?
Rh2 C28 C29 C25 -60.8(7) . . . . ?
Rh2 C28 C29 C34 121.2(10) . . . . ?
O1 C7 C8 C9 -37(2) . . . . ?
O1 C7 C8 C13 144.0(14) . . . . ?
N1 C1 C2 C3 2.9(15) . . . . ?
N2 C35 C36 C37 176.6(9) . . . . ?
N2 C35 C40 N8 -0.8(10) . . . . ?
N2 C35 C40 C39 -175.8(8) . . . . ?
N2 C41 C42 N4 -170.8(8) . . . . ?
N2 C41 C42 N6 -3.6(13) . . . . ?
N3 C7 C8 C9 143.5(13) . . . . ?
N3 C7 C8 C13 -35.7(18) . . . . ?
N4 C43 C44 C45 175.6(10) . . . . ?
N4 C43 C48 N6 0.1(9) . . . . ?
N4 C43 C48 C47 -176.4(8) . . . . ?
N5 C23 C24 C20 2.9(18) . . . . ?
N7 C19 C20 C21 -8(2) . . . . ?
N7 C19 C20 C24 166.9(12) . . . . ?
N8 C41 C42 N4 -2.8(13) . . . . ?
N8 C41 C42 N6 164.4(8) . . . . ?
C1 N1 C5 C4 2.0(13) . . . . ?
C1 C2 C3 C4 -1.1(15) . . . . ?
C1 C2 C3 C6 -175.3(9) . . . . ?
C2 C3 C4 C5 0.0(14) . . . . ?
C2 C3 C6 N3 -166.2(10) . . . . ?
C3 C4 C5 N1 -0.4(14) . . . . ?
C4 C3 C6 N3 19.9(15) . . . . ?
C5 N1 C1 C2 -3.3(13) . . . . ?
C6 N3 C7 O1 10(2) . . . . ?
C6 N3 C7 C8 -170.6(10) . . . . ?
C6 C3 C4 C5 174.0(9) . . . . ?
C7 N3 C6 C3 -91.5(14) . . . . ?
C7 C8 C9 C10 -177.2(12) . . . . ?
C7 C8 C13 C12 -176.7(11) . . . . ?
C8 C9 C10 C11 -4.2(18) . . . . ?
C9 C8 C13 C12 4(2) . . . . ?
C9 C10 C11 C12 -0.2(19) . . . . ?
C9 C10 C11 C17 179.4(10) . . . . ?
C10 C11 C12 C13 6.2(19) . . . . ?
C10 C11 C12 C14 -179.2(12) . . . . ?
C10 C11 C17 C16 178.4(12) . . . . ?
C11 C12 C13 C8 -7.7(16) . . . . ?
C11 C12 C14 C15 -0.6(19) . . . . ?
C12 C11 C17 C16 -1.9(16) . . . . ?
C12 C14 C15 C16 0.6(18) . . . . ?
C13 C8 C9 C10 2(2) . . . . ?
C13 C12 C14 C15 173.9(11) . . . . ?
C14 C12 C13 C8 177.2(11) . . . . ?
C14 C15 C16 C17 -2(2) . . . . ?
C14 C15 C16 C18 -176.9(12) . . . . ?
C15 C16 C17 C11 2(2) . . . . ?
C15 C16 C18 O4 17(2) . . . . ?
C15 C16 C18 N7 -161.7(12) . . . . ?
C17 C11 C12 C13 -173.3(10) . . . . ?
C17 C11 C12 C14 1.2(18) . . . . ?
C17 C16 C18 O4 -158.5(15) . . . . ?
C17 C16 C18 N7 23(2) . . . . ?
C18 N7 C19 C20 112.5(14) . . . . ?
C18 C16 C17 C11 177.4(11) . . . . ?
C19 N7 C18 O4 -9(2) . . . . ?
C19 N7 C18 C16 170.0(11) . . . . ?
C19 C20 C21 C22 177.4(13) . . . . ?
C19 C20 C24 C23 -178.1(12) . . . . ?
C20 C21 C22 N5 -2(2) . . . . ?
C21 C20 C24 C23 -3.0(18) . . . . ?
C22 N5 C23 C24 -2.2(16) . . . . ?
C23 N5 C22 C21 1.7(17) . . . . ?
C24 C20 C21 C22 3(2) . . . . ?
C25 C26 C27 Rh2 64.0(7) . . . . ?
C25 C26 C27 C28 3.9(11) . . . . ?
C25 C26 C27 C32 -175.5(10) . . . . ?
C26 C25 C29 Rh2 -59.1(7) . . . . ?
C26 C25 C29 C28 0.7(11) . . . . ?
C26 C25 C29 C34 178.7(10) . . . . ?
C26 C27 C28 Rh2 59.5(7) . . . . ?
C26 C27 C28 C29 -3.3(11) . . . . ?
C26 C27 C28 C33 -178.0(10) . . . . ?
C27 C28 C29 Rh2 62.5(7) . . . . ?
C27 C28 C29 C25 1.7(11) . . . . ?
C27 C28 C29 C34 -176.3(10) . . . . ?
C29 C25 C26 Rh2 59.8(7) . . . . ?
C29 C25 C26 C27 -2.8(11) . . . . ?
C29 C25 C26 C31 -178.0(9) . . . . ?
C30 C25 C26 Rh2 -120.1(11) . . . . ?
C30 C25 C26 C27 177.4(10) . . . . ?
C30 C25 C26 C31 2.1(17) . . . . ?
C30 C25 C29 Rh2 120.8(10) . . . . ?
C30 C25 C29 C28 -179.5(9) . . . . ?
C30 C25 C29 C34 -1.5(16) . . . . ?
C31 C26 C27 Rh2 -120.8(10) . . . . ?
C31 C26 C27 C28 179.0(9) . . . . ?
C31 C26 C27 C32 -0.3(16) . . . . ?
C32 C27 C28 Rh2 -121.1(11) . . . . ?
C32 C27 C28 C29 176.1(10) . . . . ?
C32 C27 C28 C33 1.3(17) . . . . ?
C33 C28 C29 Rh2 -122.7(11) . . . . ?
C33 C28 C29 C25 176.5(10) . . . . ?
C33 C28 C29 C34 -1.5(17) . . . . ?
C35 N2 C41 N8 1.2(10) . . . . ?
C35 N2 C41 C42 169.4(8) . . . . ?
C35 C36 C37 C38 -1.1(16) . . . . ?
C36 C35 C40 N8 176.3(8) . . . . ?
C36 C35 C40 C39 1.3(14) . . . . ?
C36 C37 C38 C39 0.4(17) . . . . ?
C37 C38 C39 C40 1.1(15) . . . . ?
C38 C39 C40 N8 -175.8(9) . . . . ?
C38 C39 C40 C35 -1.9(14) . . . . ?
C40 N8 C41 N2 -1.7(10) . . . . ?
C40 N8 C41 C42 -169.9(8) . . . . ?
C40 C35 C36 C37 0.2(14) . . . . ?
C41 N2 C35 C36 -176.9(9) . . . . ?
C41 N2 C35 C40 -0.1(9) . . . . ?
C41 N8 C40 C35 1.4(9) . . . . ?
C41 N8 C40 C39 175.7(9) . . . . ?
C42 N4 C43 C44 -177.4(10) . . . . ?
C42 N4 C43 C48 0.4(9) . . . . ?
C42 N6 C48 C43 -0.6(9) . . . . ?
C42 N6 C48 C47 175.3(9) . . . . ?
C43 N4 C42 N6 -0.9(10) . . . . ?
C43 N4 C42 C41 166.7(8) . . . . ?
C43 C44 C45 C46 0.9(16) . . . . ?
C44 C43 C48 N6 178.2(8) . . . . ?
C44 C43 C48 C47 1.7(13) . . . . ?
C44 C45 C46 C47 0.4(17) . . . . ?
C45 C46 C47 C48 -0.7(15) . . . . ?
C46 C47 C48 N6 -176.0(9) . . . . ?
C46 C47 C48 C43 -0.3(13) . . . . ?
C48 N6 C42 N4 1.0(10) . . . . ?
C48 N6 C42 C41 -166.7(8) . . . . ?
C48 C43 C44 C45 -1.9(14) . . . . ?
C49 C50 C51 Rh1 62.9(7) . . . . ?
C49 C50 C51 C52 4.6(11) . . . . ?
C49 C50 C51 C56 -173.7(10) . . . . ?
C50 C49 C53 Rh1 -59.6(6) . . . . ?
C50 C49 C53 C52 0.4(11) . . . . ?
C50 C49 C53 C58 175.6(10) . . . . ?
C50 C51 C52 Rh1 58.7(7) . . . . ?
C50 C51 C52 C53 -4.3(12) . . . . ?
C50 C51 C52 C57 -176.9(10) . . . . ?
C51 C52 C53 Rh1 63.4(7) . . . . ?
C51 C52 C53 C49 2.4(12) . . . . ?
C51 C52 C53 C58 -172.9(10) . . . . ?
C53 C49 C50 Rh1 60.1(7) . . . . ?
C53 C49 C50 C51 -3.1(11) . . . . ?
C53 C49 C50 C55 -177.4(9) . . . . ?
C54 C49 C50 Rh1 -121.5(10) . . . . ?
C54 C49 C50 C51 175.2(10) . . . . ?
C54 C49 C50 C55 1.0(16) . . . . ?
C54 C49 C53 Rh1 122.1(10) . . . . ?
C54 C49 C53 C52 -177.9(10) . . . . ?
C54 C49 C53 C58 -2.7(17) . . . . ?
C55 C50 C51 Rh1 -123.2(11) . . . . ?
C55 C50 C51 C52 178.5(10) . . . . ?
C55 C50 C51 C56 0.2(17) . . . . ?
C56 C51 C52 Rh1 -123.0(11) . . . . ?
C56 C51 C52 C53 173.9(10) . . . . ?
C56 C51 C52 C57 1.3(17) . . . . ?
C57 C52 C53 Rh1 -124.4(11) . . . . ?
C57 C52 C53 C49 174.7(10) . . . . ?
C57 C52 C53 C58 -0.6(18) . . . . ?
O5 S1 C61 F1 176.8(15) . . . . ?
O5 S1 C61 F4 75.3(15) . . . . ?
O5 S1 C61 F6 -49.1(17) . . . . ?
O8 S1 C61 F1 -63.8(16) . . . . ?
O8 S1 C61 F4 -165.2(15) . . . . ?
O8 S1 C61 F6 70.3(17) . . . . ?
O9 S1 C61 F1 59.7(15) . . . . ?
O9 S1 C61 F4 -41.7(15) . . . . ?
O9 S1 C61 F6 -166.2(16) . . . . ?

_smtbx_masks_special_details     
;
A solvent mask was calculated and 829 electrons were 
found in a volume of 1976Å³ in 1 void per unit cell. 
This is consistent with the presence of 
22[CH3OH] per Asymmetric Unit 
which account for 792 electrons 
per unit cell.
;
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.902 -0.938 -0.402 1975.7 829.3 '44 CH3OH'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_231118e_0ma_a
_database_code_depnum_ccdc_archive 'CCDC 2345679'
loop_
_audit_author_name
_audit_author_address
'Huijun Feng'
;Shanxi Normal University
China
;
_audit_update_record             
;
2024-04-04 deposited with the CCDC.	2024-06-19 downloaded from the CCDC.
;
_audit_creation_date             2023-11-30
_audit_creation_method           
; 
Olex2 1.5 
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817) 
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C60 H58 N6 O8 Rh2, C F3 O1.629 S, C F3 O3 S, C H4 O, 1[C3H7NO], 1[CH3OH]'
_chemical_formula_sum            'C67 H73 F6 N7 O15.63 Rh2 S2'
_chemical_formula_weight         1610.32
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 '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'
F F 0.0583 0.0400 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -0.0161 2.8414 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.2925 0.4295 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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. 
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           18
_space_group_name_H-M_alt        'P 21 21 2'
_space_group_name_Hall           'P 2 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -z'

_cell_length_a                   28.7856(8)
_cell_length_b                   14.4874(4)
_cell_length_c                   15.6484(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     6525.8(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9994
_cell_measurement_temperature    173.00
_cell_measurement_theta_max      57.01
_cell_measurement_theta_min      2.80
_shelx_estimated_absorpt_T_max   0.573
_shelx_estimated_absorpt_T_min   0.512
_exptl_absorpt_coefficient_mu    3.681
_exptl_absorpt_correction_T_max  0.7512
_exptl_absorpt_correction_T_min  0.3544
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
; 
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. 
wR2(int) was 0.1544 before and 0.0793 after correction. 
The Ratio of minimum to maximum transmission is 0.4718. 
The λ/2 correction factor is Not present. 
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            brown
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.639
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3300
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.17
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0544
_diffrn_reflns_av_unetI/netI     0.0398
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            53732
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        52.982
_diffrn_reflns_theta_max         52.982
_diffrn_reflns_theta_min         2.971
_diffrn_ambient_temperature      173.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_source                   ?
_diffrn_source_current           2.86
_diffrn_source_power             0.19994259999999997
_diffrn_source_voltage           69.91
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.812
_reflns_Friedel_fraction_full    0.998
_reflns_Friedel_fraction_max     0.998
_reflns_number_gt                10158
_reflns_number_total             11508
_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 Structure factors included contributions from the .fab file. 
  
 _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. Completness statistics refer to single and 
 composite reflections containing twin component 1 only. 
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.181
_refine_diff_density_min         -1.583
_refine_diff_density_rms         0.133
_refine_ls_abs_structure_details 
; 
 Refined as an inversion twin. 
;
_refine_ls_abs_structure_Flack   0.47(2)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     859
_refine_ls_number_reflns         11508
_refine_ls_number_restraints     926
_refine_ls_R_factor_all          0.0759
_refine_ls_R_factor_gt           0.0656
_refine_ls_restrained_S_all      1.050
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1108P)²+19.3436P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1737
_refine_ls_wR_factor_ref         0.1853
_refine_special_details          
; 
 Refined as a 2-component inversion twin. 
;
_olex2_refinement_description    
; 
1. Twinned data refinement 
 Scales: 0.53(2) 
 0.47(2) 
2. Fixed Uiso 
 At 1.2 times of: 
  All C(H) groups, All C(H,H) groups, All N(H) groups 
 At 1.5 times of: 
  All C(H,H,H) groups, All O(H) groups 
3. Restrained distances 
 S1-O3 = S1-O1 = S1-O2 
 1.4 with sigma of 0.02 
4. Rigid bond restraints 
 All non-hydrogen atoms 
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01 
 S1, O2, O1, C61, O3, F2, F1, F3 
 with sigma for 1-2 distances of 0.005 and sigma for 1-3 distances of 0.01 
5. Uiso/Uaniso restraints and constraints 
All non-hydrogen atoms have similar U: within 2A with sigma of 0.01 and sigma 
for terminal atoms of 0.02 within 2A 
S1 \\sim O2 \\sim O1 \\sim C61 \\sim O3 \\sim F2 \\sim F1 \\sim F3: within 2A 
with sigma of 0.007 and sigma for terminal atoms of 0.014 within 2A 
Uanis(S1) \\sim Ueq, Uanis(O2) \\sim Ueq, Uanis(O1) \\sim Ueq, Uanis(C61) \\sim 
Ueq, Uanis(O3) \\sim Ueq, Uanis(F2) \\sim Ueq, Uanis(F1) \\sim Ueq, Uanis(F3) 
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02 
6. Others 
 Sof(O2)=Sof(O3)=FVAR(1) 
 Fixed Sof: O1(0.5) 
7.a Riding coordinates: 
 O7(H7), C63(H63A,H63B,H63C) 
7.b Secondary CH2 refined with riding coordinates: 
 C40(H40A,H40B), C41(H41A,H41B), C54(H54A,H54B), C55(H55A,H55B) 
7.c Me refined with riding coordinates: 
 C31(H31A,H31B,H31C) 
7.d Aromatic/amide H refined with riding coordinates: 
 N5(H5), C14(H14A), C15(H15), C20(H20), C21(H21), C35(H35), C36(H36), C38(H38), 
  C39(H39), C44(H44), C47(H47), C48(H48), C49(H49), C50(H50), C52(H52), 
 C57(H57), C58(H58), C59(H59), C60(H60) 
7.e Idealised Me refined as rotating group: 
 C6(H6A,H6B,H6C), C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C10(H10A, 
 H10B,H10C), C30(H30A,H30B,H30C), C32(H32A,H32B,H32C), C33(H33A,H33B,H33C), 
 C34(H34A,H34B,H34C) 
7.f Idealised tetrahedral OH refined as rotating group: 
 O14(H14) 
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 0.67254(3) 0.53122(6) 0.63406(5) 0.0479(2) Uani 1 1 d . U . . .
Rh2 Rh 0.38580(2) 0.74755(5) 0.12759(5) 0.0377(2) Uani 1 1 d . U . . .
O8 O 0.6123(4) 0.0752(10) 0.4368(9) 0.100(4) Uani 1 1 d . U . . .
O9 O 0.2922(4) 0.2539(9) 0.3378(8) 0.089(3) Uani 1 1 d . U . . .
O10 O 0.4518(2) 0.6888(5) 0.1611(4) 0.0407(15) Uani 1 1 d . U . . .
O11 O 0.3803(2) 0.7314(5) 0.2606(4) 0.0442(16) Uani 1 1 d . U . . .
O12 O 0.3853(3) 0.6959(6) 0.4240(5) 0.056(2) Uani 1 1 d . U . . .
O13 O 0.6579(3) 0.5147(7) 0.3386(5) 0.061(2) Uani 1 1 d . U . . .
O14 O 0.6710(3) 0.5170(7) 0.5028(5) 0.0552(19) Uani 1 1 d . U . . .
H14 H 0.688898 0.503323 0.462338 0.083 Uiso 1 1 calc R U . . .
O15 O 0.6018(3) 0.5670(6) 0.6049(5) 0.0548(19) Uani 1 1 d . U . . .
N1 N 0.6279(3) 0.5409(7) 0.4705(6) 0.0483(19) Uani 1 1 d . U . . .
N2 N 0.4193(3) 0.6918(6) 0.2927(5) 0.0397(17) Uani 1 1 d . U . . .
N3 N 0.3636(3) 0.6092(6) 0.1192(6) 0.0428(17) Uani 1 1 d . U . . .
N4 N 0.3324(4) 0.2611(7) 0.2129(7) 0.063(2) Uani 1 1 d . U . . .
N5 N 0.5767(4) 0.0698(8) 0.5638(9) 0.069(3) Uani 1 1 d . U . . .
H5 H 0.550245 0.075525 0.591515 0.083 Uiso 1 1 calc R U . . .
N6 N 0.6503(4) 0.3927(7) 0.6408(7) 0.055(2) Uani 1 1 d . U . . .
C1 C 0.6873(4) 0.5901(10) 0.7542(8) 0.058(2) Uani 1 1 d . U . . .
C2 C 0.7203(4) 0.5168(9) 0.7388(7) 0.052(2) Uani 1 1 d . U . . .
C3 C 0.7443(4) 0.5391(10) 0.6609(8) 0.058(2) Uani 1 1 d . U . . .
C4 C 0.7297(5) 0.6278(9) 0.6344(10) 0.066(2) Uani 1 1 d . U . . .
C5 C 0.6935(5) 0.6596(9) 0.6910(10) 0.063(2) Uani 1 1 d . U . . .
C6 C 0.6549(6) 0.5967(14) 0.8286(10) 0.083(4) Uani 1 1 d . U . . .
H6A H 0.644382 0.534760 0.844602 0.125 Uiso 1 1 calc R U . . .
H6B H 0.628024 0.634610 0.812856 0.125 Uiso 1 1 calc R U . . .
H6C H 0.671055 0.625137 0.877013 0.125 Uiso 1 1 calc R U . . .
C7 C 0.7277(6) 0.4325(11) 0.7874(9) 0.073(4) Uani 1 1 d . U . . .
H7A H 0.746890 0.446183 0.837627 0.109 Uiso 1 1 calc R U . . .
H7B H 0.743611 0.387023 0.751472 0.109 Uiso 1 1 calc R U . . .
H7C H 0.697716 0.407660 0.805935 0.109 Uiso 1 1 calc R U . . .
C8 C 0.7804(5) 0.4847(13) 0.6143(11) 0.081(4) Uani 1 1 d . U . . .
H8A H 0.808964 0.521073 0.610132 0.121 Uiso 1 1 calc R U . . .
H8B H 0.769107 0.469943 0.556816 0.121 Uiso 1 1 calc R U . . .
H8C H 0.786656 0.427379 0.645494 0.121 Uiso 1 1 calc R U . . .
C9 C 0.7485(7) 0.6736(15) 0.5561(14) 0.101(6) Uani 1 1 d . U . . .
H9A H 0.770501 0.632078 0.527645 0.152 Uiso 1 1 calc R U . . .
H9B H 0.764450 0.730789 0.572179 0.152 Uiso 1 1 calc R U . . .
H9C H 0.722895 0.687962 0.517010 0.152 Uiso 1 1 calc R U . . .
C10 C 0.6682(7) 0.7470(12) 0.6832(13) 0.098(5) Uani 1 1 d . U . . .
H10A H 0.673061 0.772691 0.625931 0.147 Uiso 1 1 calc R U . . .
H10B H 0.679624 0.790651 0.726113 0.147 Uiso 1 1 calc R U . . .
H10C H 0.634943 0.736068 0.692206 0.147 Uiso 1 1 calc R U . . .
C11 C 0.5944(4) 0.5656(8) 0.5250(7) 0.045(2) Uani 1 1 d . U . . .
C12 C 0.6256(4) 0.5385(8) 0.3815(7) 0.049(2) Uani 1 1 d . U . . .
C13 C 0.5804(4) 0.5686(7) 0.3444(7) 0.0403(19) Uani 1 1 d . U . . .
C14 C 0.5743(4) 0.5717(7) 0.2587(7) 0.040(2) Uani 1 1 d . U . . .
H14A H 0.598557 0.551132 0.222150 0.048 Uiso 1 1 calc R U . . .
C15 C 0.5334(4) 0.6043(7) 0.2235(7) 0.041(2) Uani 1 1 d . U . . .
H15 H 0.530265 0.607509 0.163095 0.049 Uiso 1 1 calc R U . . .
C16 C 0.4973(4) 0.6318(7) 0.2742(6) 0.0369(18) Uani 1 1 d . U . . .
C17 C 0.5024(3) 0.6277(6) 0.3663(7) 0.0365(17) Uani 1 1 d . U . . .
C18 C 0.5432(3) 0.5965(7) 0.4009(6) 0.0352(18) Uani 1 1 d . U . . .
C19 C 0.5488(4) 0.5956(8) 0.4894(7) 0.043(2) Uani 1 1 d . U . . .
C20 C 0.5124(4) 0.6197(8) 0.5428(7) 0.047(2) Uani 1 1 d . U . . .
H20 H 0.515761 0.617801 0.603133 0.057 Uiso 1 1 calc R U . . .
C21 C 0.4700(4) 0.6471(8) 0.5046(7) 0.049(2) Uani 1 1 d . U . . .
H21 H 0.444539 0.663320 0.540304 0.059 Uiso 1 1 calc R U . . .
C22 C 0.4647(4) 0.6508(8) 0.4204(7) 0.042(2) Uani 1 1 d . U . . .
C23 C 0.4198(4) 0.6801(7) 0.3841(7) 0.042(2) Uani 1 1 d . U . . .
C24 C 0.4544(3) 0.6727(7) 0.2392(6) 0.0352(18) Uani 1 1 d . U . . .
C25 C 0.4046(4) 0.8820(7) 0.0806(8) 0.048(2) Uani 1 1 d . U . . .
C26 C 0.3630(4) 0.8898(7) 0.1286(8) 0.046(2) Uani 1 1 d . U . . .
C27 C 0.3289(4) 0.8297(7) 0.0887(7) 0.044(2) Uani 1 1 d . U . . .
C28 C 0.3492(4) 0.7907(7) 0.0142(7) 0.0422(19) Uani 1 1 d . U . . .
C29 C 0.3965(4) 0.8193(8) 0.0104(7) 0.043(2) Uani 1 1 d . U . . .
C30 C 0.4475(5) 0.9367(9) 0.0957(11) 0.073(4) Uani 1 1 d . U . . .
H30A H 0.452998 0.942000 0.157333 0.109 Uiso 1 1 calc R U . . .
H30B H 0.443767 0.998437 0.071075 0.109 Uiso 1 1 calc R U . . .
H30C H 0.473962 0.905720 0.068770 0.109 Uiso 1 1 calc R U . . .
C31 C 0.3550(5) 0.9435(9) 0.2076(9) 0.062(3) Uani 1 1 d . U . . .
H31A H 0.322726 0.935573 0.226163 0.093 Uiso 1 1 calc R U . . .
H31B H 0.375975 0.921528 0.252532 0.093 Uiso 1 1 calc R U . . .
H31C H 0.361002 1.008979 0.196449 0.093 Uiso 1 1 calc R U . . .
C32 C 0.2805(4) 0.8167(10) 0.1201(9) 0.061(3) Uani 1 1 d . U . . .
H32A H 0.266922 0.761994 0.093104 0.091 Uiso 1 1 calc R U . . .
H32B H 0.261902 0.871163 0.105690 0.091 Uiso 1 1 calc R U . . .
H32C H 0.280893 0.808424 0.182270 0.091 Uiso 1 1 calc R U . . .
C33 C 0.3259(5) 0.7264(8) -0.0476(8) 0.055(3) Uani 1 1 d . U . . .
H33A H 0.348588 0.681613 -0.069070 0.083 Uiso 1 1 calc R U . . .
H33B H 0.313277 0.761986 -0.095579 0.083 Uiso 1 1 calc R U . . .
H33C H 0.300613 0.693724 -0.018624 0.083 Uiso 1 1 calc R U . . .
C34 C 0.4325(5) 0.7943(11) -0.0572(9) 0.065(3) Uani 1 1 d . U . . .
H34A H 0.463732 0.799744 -0.032680 0.098 Uiso 1 1 calc R U . . .
H34B H 0.429600 0.836458 -0.105901 0.098 Uiso 1 1 calc R U . . .
H34C H 0.427392 0.730774 -0.076420 0.098 Uiso 1 1 calc R U . . .
C35 C 0.3848(5) 0.5492(8) 0.0684(7) 0.050(2) Uani 1 1 d . U . . .
H35 H 0.412894 0.566791 0.041006 0.060 Uiso 1 1 calc R U . . .
C36 C 0.3671(5) 0.4620(9) 0.0543(7) 0.055(2) Uani 1 1 d . U . . .
H36 H 0.382696 0.421370 0.016284 0.065 Uiso 1 1 calc R U . . .
C37 C 0.3277(5) 0.4336(9) 0.0943(8) 0.058(2) Uani 1 1 d . U . . .
C38 C 0.3066(4) 0.4975(9) 0.1492(9) 0.061(3) Uani 1 1 d . U . . .
H38 H 0.278740 0.481522 0.178329 0.073 Uiso 1 1 calc R U . . .
C39 C 0.3258(4) 0.5825(8) 0.1608(8) 0.053(2) Uani 1 1 d . U . . .
H39 H 0.311722 0.623988 0.200086 0.064 Uiso 1 1 calc R U . . .
C40 C 0.3067(6) 0.3368(11) 0.0829(10) 0.074(3) Uani 1 1 d . U . . .
H40A H 0.278953 0.342586 0.045877 0.089 Uiso 1 1 calc R U . . .
H40B H 0.329552 0.298325 0.051857 0.089 Uiso 1 1 calc R U . . .
C41 C 0.2932(5) 0.2879(10) 0.1595(10) 0.074(3) Uani 1 1 d . U . . .
H41A H 0.275700 0.231757 0.143071 0.089 Uiso 1 1 calc R U . . .
H41B H 0.272058 0.327561 0.193367 0.089 Uiso 1 1 calc R U . . .
C42 C 0.3296(5) 0.2478(9) 0.2970(9) 0.061(2) Uani 1 1 d . U . . .
C43 C 0.3721(4) 0.2118(8) 0.3433(8) 0.055(2) Uani 1 1 d . U . . .
C44 C 0.4104(5) 0.1845(8) 0.3021(9) 0.055(2) Uani 1 1 d . U . . .
H44 H 0.410462 0.183212 0.241388 0.066 Uiso 1 1 calc R U . . .
C45 C 0.4513(5) 0.1571(7) 0.3475(8) 0.053(2) Uani 1 1 d . U . . .
C46 C 0.4505(5) 0.1551(8) 0.4346(8) 0.051(2) Uani 1 1 d . U . . .
C47 C 0.4099(5) 0.1822(10) 0.4776(9) 0.061(3) Uani 1 1 d . U . . .
H47 H 0.409355 0.181641 0.538326 0.073 Uiso 1 1 calc R U . . .
C48 C 0.3718(5) 0.2089(9) 0.4346(9) 0.057(3) Uani 1 1 d . U . . .
H48 H 0.344538 0.225958 0.465010 0.068 Uiso 1 1 calc R U . . .
C49 C 0.4930(5) 0.1300(8) 0.3022(9) 0.058(3) Uani 1 1 d . U . . .
H49 H 0.493267 0.127328 0.241541 0.070 Uiso 1 1 calc R U . . .
C50 C 0.5317(4) 0.1084(8) 0.3474(9) 0.058(3) Uani 1 1 d . U . . .
H50 H 0.559542 0.093522 0.317727 0.070 Uiso 1 1 calc R U . . .
C51 C 0.5316(4) 0.1077(8) 0.4352(9) 0.057(2) Uani 1 1 d . U . . .
C52 C 0.4920(5) 0.1295(9) 0.4820(9) 0.058(3) Uani 1 1 d . U . . .
H52 H 0.492153 0.127800 0.542711 0.070 Uiso 1 1 calc R U . . .
C53 C 0.5777(5) 0.0828(9) 0.4800(11) 0.065(3) Uani 1 1 d . U . . .
C54 C 0.6192(5) 0.0460(10) 0.6112(11) 0.076(3) Uani 1 1 d . U . . .
H54A H 0.646247 0.051575 0.572570 0.091 Uiso 1 1 calc R U . . .
H54B H 0.617203 -0.019090 0.630198 0.091 Uiso 1 1 calc R U . . .
C55 C 0.6266(6) 0.1061(11) 0.6871(11) 0.078(3) Uani 1 1 d . U . . .
H55A H 0.653921 0.082662 0.718777 0.094 Uiso 1 1 calc R U . . .
H55B H 0.599288 0.099987 0.725103 0.094 Uiso 1 1 calc R U . . .
C56 C 0.6340(5) 0.2063(11) 0.6691(9) 0.068(3) Uani 1 1 d . U . . .
C57 C 0.6695(6) 0.2349(10) 0.6203(9) 0.074(3) Uani 1 1 d . U . . .
H57 H 0.690421 0.191055 0.596728 0.089 Uiso 1 1 calc R U . . .
C58 C 0.6757(6) 0.3279(10) 0.6039(9) 0.071(3) Uani 1 1 d . U . . .
H58 H 0.699165 0.345972 0.564669 0.085 Uiso 1 1 calc R U . . .
C59 C 0.6153(5) 0.3650(10) 0.6893(8) 0.061(3) Uani 1 1 d . U . . .
H59 H 0.595770 0.411048 0.713385 0.073 Uiso 1 1 calc R U . . .
C60 C 0.6056(5) 0.2773(10) 0.7067(9) 0.065(3) Uani 1 1 d . U . . .
H60 H 0.580487 0.261813 0.743287 0.079 Uiso 1 1 calc R U . . .
S1 S 0.5063(4) 0.9585(7) 0.7627(6) 0.172(3) Uani 1 1 d D U . A -1
F1 F 0.5003(11) 0.799(2) 0.7113(16) 0.235(7) Uani 1 1 d . U . A -1
F2 F 0.5690(9) 0.8542(19) 0.7096(18) 0.227(7) Uani 1 1 d . U . A -1
F3 F 0.5385(9) 0.8052(19) 0.8198(18) 0.229(7) Uani 1 1 d . U . A -1
O1 O 0.502(2) 0.991(5) 0.6744(14) 0.132(6) Uani 0.5 1 d D U P A -1
O2 O 0.4642(17) 0.958(3) 0.813(4) 0.153(8) Uani 0.56(2) 1 d D U P A -1
O3 O 0.5387(18) 1.017(3) 0.813(5) 0.164(8) Uani 0.56(2) 1 d D U P A -1
C61 C 0.5297(17) 0.846(4) 0.748(3) 0.193(5) Uani 1 1 d . U . A -1
S2 S 0.30616(14) 0.0705(4) -0.0164(3) 0.0865(12) Uani 1 1 d . U . . .
F4 F 0.3082(6) 0.0562(12) -0.1786(8) 0.153(5) Uani 1 1 d . U . . .
F5 F 0.3652(6) 0.1255(18) -0.1213(12) 0.200(7) Uani 1 1 d . U . . .
F6 F 0.3650(7) -0.0174(17) -0.1068(12) 0.206(7) Uani 1 1 d . U . . .
O4 O 0.2762(7) 0.1430(15) -0.0257(14) 0.170(7) Uani 1 1 d . U . . .
O5 O 0.2823(6) -0.0156(14) -0.0151(13) 0.158(6) Uani 1 1 d . U . . .
O6 O 0.3407(5) 0.0763(9) 0.0478(8) 0.095(3) Uani 1 1 d . U . . .
C62 C 0.3333(9) 0.053(2) -0.1056(14) 0.120(4) Uani 1 1 d . U . . .
O7 O 0.4074(5) 0.1995(13) 0.0912(9) 0.123(5) Uani 1 1 d . U . . .
H7 H 0.389715 0.157536 0.073400 0.185 Uiso 1 1 d R U . . .
C63 C 0.4371(7) 0.2286(18) 0.0255(13) 0.111(6) Uani 1 1 d . U . . .
H63A H 0.418859 0.257750 -0.019924 0.167 Uiso 1 1 d R U . . .
H63B H 0.453549 0.174831 0.002386 0.167 Uiso 1 1 d R U . . .
H63C H 0.459769 0.272960 0.047916 0.167 Uiso 1 1 d R 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 O14 2.064(7) . ?
Rh1 O15 2.150(8) . ?
Rh1 N6 2.110(11) . ?
Rh1 C1 2.107(12) . ?
Rh1 C2 2.149(11) . ?
Rh1 C3 2.110(12) . ?
Rh1 C4 2.161(13) . ?
Rh1 C5 2.148(14) . ?
Rh2 O10 2.146(7) . ?
Rh2 O11 2.100(7) . ?
Rh2 N3 2.108(9) . ?
Rh2 C25 2.151(11) . ?
Rh2 C26 2.162(10) . ?
Rh2 C27 2.115(11) . ?
Rh2 C28 2.155(10) . ?
Rh2 C29 2.130(11) . ?
O8 C53 1.208(18) . ?
O9 C42 1.255(17) . ?
O10 C24 1.247(12) . ?
O11 N2 1.356(11) . ?
O12 C23 1.195(13) . ?
O13 C12 1.197(14) . ?
O14 H14 0.8400 . ?
O14 N1 1.384(11) . ?
O15 C11 1.270(13) . ?
N1 C11 1.336(15) . ?
N1 C12 1.396(14) . ?
N2 C23 1.441(14) . ?
N2 C24 1.341(13) . ?
N3 C35 1.327(15) . ?
N3 C39 1.324(15) . ?
N4 C41 1.456(17) . ?
N4 C42 1.332(18) . ?
N5 H5 0.8800 . ?
N5 C53 1.33(2) . ?
N5 C54 1.471(18) . ?
N6 C58 1.323(19) . ?
N6 C59 1.323(17) . ?
C1 C2 1.444(19) . ?
C1 C5 1.42(2) . ?
C1 C6 1.495(19) . ?
C2 C3 1.438(18) . ?
C2 C7 1.454(19) . ?
C3 C4 1.41(2) . ?
C3 C8 1.49(2) . ?
C4 C5 1.44(2) . ?
C4 C9 1.49(2) . ?
C5 C10 1.47(2) . ?
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 C19 1.491(15) . ?
C12 C13 1.490(15) . ?
C13 C14 1.353(15) . ?
C13 C18 1.446(14) . ?
C14 H14A 0.9500 . ?
C14 C15 1.385(15) . ?
C15 H15 0.9500 . ?
C15 C16 1.366(15) . ?
C16 C17 1.449(14) . ?
C16 C24 1.477(14) . ?
C17 C18 1.369(14) . ?
C17 C22 1.417(15) . ?
C18 C19 1.394(15) . ?
C19 C20 1.385(16) . ?
C20 H20 0.9500 . ?
C20 C21 1.416(17) . ?
C21 H21 0.9500 . ?
C21 C22 1.328(16) . ?
C22 C23 1.474(16) . ?
C25 C26 1.418(17) . ?
C25 C29 1.443(17) . ?
C25 C30 1.487(16) . ?
C26 C27 1.452(15) . ?
C26 C31 1.479(18) . ?
C27 C28 1.421(16) . ?
C27 C32 1.489(17) . ?
C28 C29 1.422(16) . ?
C28 C33 1.502(16) . ?
C29 C34 1.526(17) . ?
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 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35 0.9500 . ?
C35 C36 1.380(16) . ?
C36 H36 0.9500 . ?
C36 C37 1.359(19) . ?
C37 C38 1.40(2) . ?
C37 C40 1.537(18) . ?
C38 H38 0.9500 . ?
C38 C39 1.363(17) . ?
C39 H39 0.9500 . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C40 C41 1.45(2) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 C43 1.514(18) . ?
C43 C44 1.338(18) . ?
C43 C48 1.429(19) . ?
C44 H44 0.9500 . ?
C44 C45 1.431(19) . ?
C45 C46 1.365(18) . ?
C45 C49 1.448(18) . ?
C46 C47 1.404(19) . ?
C46 C52 1.455(19) . ?
C47 H47 0.9500 . ?
C47 C48 1.344(19) . ?
C48 H48 0.9500 . ?
C49 H49 0.9500 . ?
C49 C50 1.36(2) . ?
C50 H50 0.9500 . ?
C50 C51 1.37(2) . ?
C51 C52 1.390(18) . ?
C51 C53 1.545(19) . ?
C52 H52 0.9500 . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C54 C55 1.49(2) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C55 C56 1.49(2) . ?
C56 C57 1.34(2) . ?
C56 C60 1.44(2) . ?
C57 H57 0.9500 . ?
C57 C58 1.38(2) . ?
C58 H58 0.9500 . ?
C59 H59 0.9500 . ?
C59 C60 1.33(2) . ?
C60 H60 0.9500 . ?
S1 O1 1.47(2) . ?
S1 O2 1.45(3) . ?
S1 O3 1.48(3) . ?
S1 C61 1.78(5) . ?
F1 C61 1.23(5) . ?
F2 C61 1.29(4) . ?
F3 C61 1.29(5) . ?
S2 O4 1.366(16) . ?
S2 O5 1.424(17) . ?
S2 O6 1.416(12) . ?
S2 C62 1.62(2) . ?
F4 C62 1.35(3) . ?
F5 C62 1.42(3) . ?
F6 C62 1.36(3) . ?
O7 H7 0.8403 . ?
O7 C63 1.40(2) . ?
C63 H63A 0.9799 . ?
C63 H63B 0.9804 . ?
C63 H63C 0.9804 . ?

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
O14 Rh1 O15 78.1(3) . . ?
O14 Rh1 N6 87.1(4) . . ?
O14 Rh1 C1 158.7(5) . . ?
O14 Rh1 C2 139.7(4) . . ?
O14 Rh1 C3 102.9(4) . . ?
O14 Rh1 C4 94.8(5) . . ?
O14 Rh1 C5 120.3(5) . . ?
O15 Rh1 C4 124.4(4) . . ?
N6 Rh1 O15 87.3(4) . . ?
N6 Rh1 C2 93.6(4) . . ?
N6 Rh1 C3 109.8(5) . . ?
N6 Rh1 C4 147.9(5) . . ?
N6 Rh1 C5 152.6(5) . . ?
C1 Rh1 O15 106.4(4) . . ?
C1 Rh1 N6 113.7(5) . . ?
C1 Rh1 C2 39.7(5) . . ?
C1 Rh1 C3 66.6(5) . . ?
C1 Rh1 C4 65.3(6) . . ?
C1 Rh1 C5 39.0(5) . . ?
C2 Rh1 O15 142.2(4) . . ?
C2 Rh1 C4 64.8(5) . . ?
C3 Rh1 O15 162.9(5) . . ?
C3 Rh1 C2 39.5(5) . . ?
C3 Rh1 C4 38.6(5) . . ?
C3 Rh1 C5 66.2(5) . . ?
C5 Rh1 O15 98.3(4) . . ?
C5 Rh1 C2 65.7(5) . . ?
C5 Rh1 C4 39.2(6) . . ?
O10 Rh2 C25 102.7(4) . . ?
O10 Rh2 C26 130.2(3) . . ?
O10 Rh2 C28 138.4(4) . . ?
O11 Rh2 O10 77.3(3) . . ?
O11 Rh2 N3 86.2(3) . . ?
O11 Rh2 C25 117.3(4) . . ?
O11 Rh2 C26 94.4(4) . . ?
O11 Rh2 C27 106.9(4) . . ?
O11 Rh2 C28 144.2(4) . . ?
O11 Rh2 C29 156.6(4) . . ?
N3 Rh2 O10 84.7(3) . . ?
N3 Rh2 C25 156.3(4) . . ?
N3 Rh2 C26 144.5(4) . . ?
N3 Rh2 C27 106.4(4) . . ?
N3 Rh2 C28 94.4(4) . . ?
N3 Rh2 C29 117.0(4) . . ?
C25 Rh2 C26 38.4(5) . . ?
C25 Rh2 C28 65.1(4) . . ?
C27 Rh2 O10 168.3(4) . . ?
C27 Rh2 C25 65.6(4) . . ?
C27 Rh2 C26 39.7(4) . . ?
C27 Rh2 C28 38.9(4) . . ?
C27 Rh2 C29 65.7(4) . . ?
C28 Rh2 C26 65.2(4) . . ?
C29 Rh2 O10 106.0(3) . . ?
C29 Rh2 C25 39.4(5) . . ?
C29 Rh2 C26 65.5(5) . . ?
C29 Rh2 C28 38.8(4) . . ?
C24 O10 Rh2 111.5(6) . . ?
N2 O11 Rh2 110.7(5) . . ?
Rh1 O14 H14 139.5 . . ?
N1 O14 Rh1 110.9(6) . . ?
N1 O14 H14 109.5 . . ?
C11 O15 Rh1 111.4(7) . . ?
O14 N1 C12 113.6(8) . . ?
C11 N1 O14 118.8(9) . . ?
C11 N1 C12 127.5(9) . . ?
O11 N2 C23 115.3(8) . . ?
C24 N2 O11 118.5(8) . . ?
C24 N2 C23 126.1(9) . . ?
C35 N3 Rh2 121.3(7) . . ?
C39 N3 Rh2 119.7(8) . . ?
C39 N3 C35 118.8(10) . . ?
C42 N4 C41 124.0(13) . . ?
C53 N5 H5 119.5 . . ?
C53 N5 C54 120.9(13) . . ?
C54 N5 H5 119.5 . . ?
C58 N6 Rh1 119.0(9) . . ?
C59 N6 Rh1 123.2(10) . . ?
C59 N6 C58 117.2(12) . . ?
C2 C1 Rh1 71.7(7) . . ?
C2 C1 C6 125.9(14) . . ?
C5 C1 Rh1 72.0(8) . . ?
C5 C1 C2 108.8(11) . . ?
C5 C1 C6 125.0(14) . . ?
C6 C1 Rh1 126.5(10) . . ?
C1 C2 Rh1 68.6(7) . . ?
C1 C2 C7 128.8(13) . . ?
C3 C2 Rh1 68.8(6) . . ?
C3 C2 C1 106.9(11) . . ?
C3 C2 C7 124.2(13) . . ?
C7 C2 Rh1 125.1(9) . . ?
C2 C3 Rh1 71.7(7) . . ?
C2 C3 C8 129.0(13) . . ?
C4 C3 Rh1 72.6(7) . . ?
C4 C3 C2 108.1(12) . . ?
C4 C3 C8 122.9(13) . . ?
C8 C3 Rh1 123.7(9) . . ?
C3 C4 Rh1 68.7(7) . . ?
C3 C4 C5 108.9(12) . . ?
C3 C4 C9 122.5(15) . . ?
C5 C4 Rh1 69.9(8) . . ?
C5 C4 C9 128.5(15) . . ?
C9 C4 Rh1 124.1(13) . . ?
C1 C5 Rh1 68.9(7) . . ?
C1 C5 C4 106.9(12) . . ?
C1 C5 C10 127.4(15) . . ?
C4 C5 Rh1 70.9(8) . . ?
C4 C5 C10 125.7(14) . . ?
C10 C5 Rh1 125.0(12) . . ?
C1 C6 H6A 109.5 . . ?
C1 C6 H6B 109.5 . . ?
C1 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C5 C10 H10A 109.5 . . ?
C5 C10 H10B 109.5 . . ?
C5 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
O15 C11 N1 120.7(10) . . ?
O15 C11 C19 120.8(10) . . ?
N1 C11 C19 118.4(9) . . ?
O13 C12 N1 122.0(10) . . ?
O13 C12 C13 122.9(10) . . ?
N1 C12 C13 115.0(9) . . ?
C14 C13 C12 120.5(10) . . ?
C14 C13 C18 120.1(10) . . ?
C18 C13 C12 119.4(9) . . ?
C13 C14 H14A 119.5 . . ?
C13 C14 C15 121.0(10) . . ?
C15 C14 H14A 119.5 . . ?
C14 C15 H15 119.5 . . ?
C16 C15 C14 121.0(10) . . ?
C16 C15 H15 119.5 . . ?
C15 C16 C17 119.3(10) . . ?
C15 C16 C24 122.5(9) . . ?
C17 C16 C24 118.0(9) . . ?
C18 C17 C16 119.6(9) . . ?
C18 C17 C22 119.9(10) . . ?
C22 C17 C16 120.5(9) . . ?
C17 C18 C13 119.0(9) . . ?
C17 C18 C19 119.7(10) . . ?
C19 C18 C13 121.3(9) . . ?
C18 C19 C11 118.4(10) . . ?
C20 C19 C11 120.9(10) . . ?
C20 C19 C18 120.7(10) . . ?
C19 C20 H20 121.0 . . ?
C19 C20 C21 117.9(10) . . ?
C21 C20 H20 121.0 . . ?
C20 C21 H21 119.1 . . ?
C22 C21 C20 121.9(11) . . ?
C22 C21 H21 119.1 . . ?
C17 C22 C23 120.6(9) . . ?
C21 C22 C17 119.8(11) . . ?
C21 C22 C23 119.6(10) . . ?
O12 C23 N2 119.2(10) . . ?
O12 C23 C22 125.7(10) . . ?
N2 C23 C22 115.2(8) . . ?
O10 C24 N2 121.9(9) . . ?
O10 C24 C16 119.3(9) . . ?
N2 C24 C16 118.8(9) . . ?
C26 C25 Rh2 71.2(6) . . ?
C26 C25 C29 108.4(10) . . ?
C26 C25 C30 125.1(12) . . ?
C29 C25 Rh2 69.5(6) . . ?
C29 C25 C30 126.2(12) . . ?
C30 C25 Rh2 129.6(9) . . ?
C25 C26 Rh2 70.4(6) . . ?
C25 C26 C27 107.2(10) . . ?
C25 C26 C31 128.0(11) . . ?
C27 C26 Rh2 68.4(6) . . ?
C27 C26 C31 124.7(11) . . ?
C31 C26 Rh2 123.7(9) . . ?
C26 C27 Rh2 71.9(6) . . ?
C26 C27 C32 124.4(11) . . ?
C28 C27 Rh2 72.1(6) . . ?
C28 C27 C26 108.2(10) . . ?
C28 C27 C32 127.3(10) . . ?
C32 C27 Rh2 123.9(8) . . ?
C27 C28 Rh2 69.0(6) . . ?
C27 C28 C29 108.2(10) . . ?
C27 C28 C33 126.2(10) . . ?
C29 C28 Rh2 69.7(6) . . ?
C29 C28 C33 125.5(11) . . ?
C33 C28 Rh2 124.7(8) . . ?
C25 C29 Rh2 71.1(6) . . ?
C25 C29 C34 124.5(11) . . ?
C28 C29 Rh2 71.6(6) . . ?
C28 C29 C25 107.8(10) . . ?
C28 C29 C34 127.6(11) . . ?
C34 C29 Rh2 125.4(8) . . ?
C25 C30 H30A 109.5 . . ?
C25 C30 H30B 109.5 . . ?
C25 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C26 C31 H31A 109.5 . . ?
C26 C31 H31B 109.5 . . ?
C26 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C27 C32 H32A 109.5 . . ?
C27 C32 H32B 109.5 . . ?
C27 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C28 C33 H33A 109.5 . . ?
C28 C33 H33B 109.5 . . ?
C28 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C29 C34 H34A 109.5 . . ?
C29 C34 H34B 109.5 . . ?
C29 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
N3 C35 H35 119.2 . . ?
N3 C35 C36 121.7(12) . . ?
C36 C35 H35 119.2 . . ?
C35 C36 H36 119.6 . . ?
C37 C36 C35 120.8(13) . . ?
C37 C36 H36 119.6 . . ?
C36 C37 C38 116.3(12) . . ?
C36 C37 C40 123.5(14) . . ?
C38 C37 C40 120.1(13) . . ?
C37 C38 H38 119.9 . . ?
C39 C38 C37 120.1(12) . . ?
C39 C38 H38 119.9 . . ?
N3 C39 C38 122.1(13) . . ?
N3 C39 H39 118.9 . . ?
C38 C39 H39 118.9 . . ?
C37 C40 H40A 108.0 . . ?
C37 C40 H40B 108.0 . . ?
H40A C40 H40B 107.2 . . ?
C41 C40 C37 117.2(13) . . ?
C41 C40 H40A 108.0 . . ?
C41 C40 H40B 108.0 . . ?
N4 C41 H41A 108.9 . . ?
N4 C41 H41B 108.9 . . ?
C40 C41 N4 113.4(13) . . ?
C40 C41 H41A 108.9 . . ?
C40 C41 H41B 108.9 . . ?
H41A C41 H41B 107.7 . . ?
O9 C42 N4 122.8(13) . . ?
O9 C42 C43 118.3(12) . . ?
N4 C42 C43 118.4(12) . . ?
C44 C43 C42 122.5(12) . . ?
C44 C43 C48 118.6(12) . . ?
C48 C43 C42 118.9(12) . . ?
C43 C44 H44 119.3 . . ?
C43 C44 C45 121.4(12) . . ?
C45 C44 H44 119.3 . . ?
C44 C45 C49 121.0(12) . . ?
C46 C45 C44 119.2(13) . . ?
C46 C45 C49 119.9(13) . . ?
C45 C46 C47 119.2(13) . . ?
C45 C46 C52 120.0(12) . . ?
C47 C46 C52 120.7(12) . . ?
C46 C47 H47 119.3 . . ?
C48 C47 C46 121.3(13) . . ?
C48 C47 H47 119.3 . . ?
C43 C48 H48 119.9 . . ?
C47 C48 C43 120.3(13) . . ?
C47 C48 H48 119.9 . . ?
C45 C49 H49 120.4 . . ?
C50 C49 C45 119.2(13) . . ?
C50 C49 H49 120.4 . . ?
C49 C50 H50 119.3 . . ?
C49 C50 C51 121.4(13) . . ?
C51 C50 H50 119.3 . . ?
C50 C51 C52 121.9(13) . . ?
C50 C51 C53 116.9(12) . . ?
C52 C51 C53 121.2(13) . . ?
C46 C52 H52 121.2 . . ?
C51 C52 C46 117.5(12) . . ?
C51 C52 H52 121.2 . . ?
O8 C53 N5 124.0(14) . . ?
O8 C53 C51 118.4(14) . . ?
N5 C53 C51 117.6(12) . . ?
N5 C54 H54A 109.1 . . ?
N5 C54 H54B 109.1 . . ?
N5 C54 C55 112.6(14) . . ?
H54A C54 H54B 107.8 . . ?
C55 C54 H54A 109.1 . . ?
C55 C54 H54B 109.1 . . ?
C54 C55 H55A 108.3 . . ?
C54 C55 H55B 108.3 . . ?
C54 C55 C56 116.1(13) . . ?
H55A C55 H55B 107.4 . . ?
C56 C55 H55A 108.3 . . ?
C56 C55 H55B 108.3 . . ?
C57 C56 C55 121.1(16) . . ?
C57 C56 C60 116.4(14) . . ?
C60 C56 C55 122.4(14) . . ?
C56 C57 H57 119.8 . . ?
C56 C57 C58 120.3(16) . . ?
C58 C57 H57 119.8 . . ?
N6 C58 C57 122.6(13) . . ?
N6 C58 H58 118.7 . . ?
C57 C58 H58 118.7 . . ?
N6 C59 H59 117.8 . . ?
N6 C59 C60 124.5(15) . . ?
C60 C59 H59 117.8 . . ?
C56 C60 H60 120.6 . . ?
C59 C60 C56 118.7(13) . . ?
C59 C60 H60 120.6 . . ?
O1 S1 O3 112(4) . . ?
O1 S1 C61 102(3) . . ?
O2 S1 O1 116(4) . . ?
O2 S1 O3 104(2) . . ?
O2 S1 C61 112(3) . . ?
O3 S1 C61 111(3) . . ?
F1 C61 S1 108(4) . . ?
F1 C61 F2 116(5) . . ?
F1 C61 F3 107(4) . . ?
F2 C61 S1 108(4) . . ?
F2 C61 F3 106(4) . . ?
F3 C61 S1 113(4) . . ?
O4 S2 O5 111.8(13) . . ?
O4 S2 O6 118.2(11) . . ?
O4 S2 C62 109.6(14) . . ?
O5 S2 C62 95.9(15) . . ?
O6 S2 O5 112.4(9) . . ?
O6 S2 C62 106.4(10) . . ?
F4 C62 S2 117.7(18) . . ?
F4 C62 F5 99.8(19) . . ?
F4 C62 F6 112(2) . . ?
F5 C62 S2 110(2) . . ?
F6 C62 S2 117.0(18) . . ?
F6 C62 F5 97(2) . . ?
C63 O7 H7 110.1 . . ?
O7 C63 H63A 109.5 . . ?
O7 C63 H63B 109.1 . . ?
O7 C63 H63C 109.9 . . ?
H63A C63 H63B 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.4 . . ?

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 O14 N1 C11 -2.1(13) . . . . ?
Rh1 O14 N1 C12 176.1(8) . . . . ?
Rh1 O15 C11 N1 2.1(14) . . . . ?
Rh1 O15 C11 C19 -174.9(9) . . . . ?
Rh1 N6 C58 C57 165.8(12) . . . . ?
Rh1 N6 C59 C60 -167.6(11) . . . . ?
Rh1 C1 C2 C3 58.3(8) . . . . ?
Rh1 C1 C2 C7 -118.5(13) . . . . ?
Rh1 C1 C5 C4 -61.1(10) . . . . ?
Rh1 C1 C5 C10 118.7(16) . . . . ?
Rh1 C2 C3 C4 64.0(9) . . . . ?
Rh1 C2 C3 C8 -119.0(14) . . . . ?
Rh1 C3 C4 C5 58.5(10) . . . . ?
Rh1 C3 C4 C9 -117.8(16) . . . . ?
Rh1 C4 C5 C1 59.8(9) . . . . ?
Rh1 C4 C5 C10 -119.9(16) . . . . ?
Rh2 O10 C24 N2 -0.6(12) . . . . ?
Rh2 O10 C24 C16 179.9(7) . . . . ?
Rh2 O11 N2 C23 178.2(7) . . . . ?
Rh2 O11 N2 C24 2.2(11) . . . . ?
Rh2 N3 C35 C36 -171.8(8) . . . . ?
Rh2 N3 C39 C38 171.5(9) . . . . ?
Rh2 C25 C26 C27 -58.7(7) . . . . ?
Rh2 C25 C26 C31 117.9(12) . . . . ?
Rh2 C25 C29 C28 62.5(7) . . . . ?
Rh2 C25 C29 C34 -120.5(11) . . . . ?
Rh2 C26 C27 C28 -63.4(7) . . . . ?
Rh2 C26 C27 C32 119.2(11) . . . . ?
Rh2 C27 C28 C29 -58.8(7) . . . . ?
Rh2 C27 C28 C33 118.3(11) . . . . ?
Rh2 C28 C29 C25 -62.2(7) . . . . ?
Rh2 C28 C29 C34 120.9(12) . . . . ?
O9 C42 C43 C44 165.5(13) . . . . ?
O9 C42 C43 C48 -16.1(19) . . . . ?
O11 N2 C23 O12 7.8(15) . . . . ?
O11 N2 C23 C22 -170.8(9) . . . . ?
O11 N2 C24 O10 -1.2(15) . . . . ?
O11 N2 C24 C16 178.4(8) . . . . ?
O13 C12 C13 C14 -1.1(18) . . . . ?
O13 C12 C13 C18 -179.8(11) . . . . ?
O14 N1 C11 O15 0.0(17) . . . . ?
O14 N1 C11 C19 177.1(10) . . . . ?
O14 N1 C12 O13 2.3(18) . . . . ?
O14 N1 C12 C13 -176.9(9) . . . . ?
O15 C11 C19 C18 177.2(11) . . . . ?
O15 C11 C19 C20 -4.6(18) . . . . ?
N1 C11 C19 C18 0.1(17) . . . . ?
N1 C11 C19 C20 178.4(11) . . . . ?
N1 C12 C13 C14 178.2(10) . . . . ?
N1 C12 C13 C18 -0.6(15) . . . . ?
N3 C35 C36 C37 -1.8(17) . . . . ?
N4 C42 C43 C44 -6.7(19) . . . . ?
N4 C42 C43 C48 171.7(12) . . . . ?
N5 C54 C55 C56 -63.3(19) . . . . ?
N6 C59 C60 C56 -2(2) . . . . ?
C1 C2 C3 Rh1 -58.2(8) . . . . ?
C1 C2 C3 C4 5.8(14) . . . . ?
C1 C2 C3 C8 -177.2(13) . . . . ?
C2 C1 C5 Rh1 62.7(8) . . . . ?
C2 C1 C5 C4 1.6(15) . . . . ?
C2 C1 C5 C10 -178.7(15) . . . . ?
C2 C3 C4 Rh1 -63.4(8) . . . . ?
C2 C3 C4 C5 -4.9(15) . . . . ?
C2 C3 C4 C9 178.8(14) . . . . ?
C3 C4 C5 Rh1 -57.8(9) . . . . ?
C3 C4 C5 C1 2.0(16) . . . . ?
C3 C4 C5 C10 -177.7(15) . . . . ?
C5 C1 C2 Rh1 -62.9(9) . . . . ?
C5 C1 C2 C3 -4.6(14) . . . . ?
C5 C1 C2 C7 178.6(13) . . . . ?
C6 C1 C2 Rh1 122.3(13) . . . . ?
C6 C1 C2 C3 -179.4(13) . . . . ?
C6 C1 C2 C7 4(2) . . . . ?
C6 C1 C5 Rh1 -122.4(13) . . . . ?
C6 C1 C5 C4 176.5(13) . . . . ?
C6 C1 C5 C10 -4(2) . . . . ?
C7 C2 C3 Rh1 118.8(12) . . . . ?
C7 C2 C3 C4 -177.2(12) . . . . ?
C7 C2 C3 C8 0(2) . . . . ?
C8 C3 C4 Rh1 119.3(12) . . . . ?
C8 C3 C4 C5 177.9(13) . . . . ?
C8 C3 C4 C9 2(2) . . . . ?
C9 C4 C5 Rh1 118.2(17) . . . . ?
C9 C4 C5 C1 178.0(16) . . . . ?
C9 C4 C5 C10 -2(3) . . . . ?
C11 N1 C12 O13 -179.6(12) . . . . ?
C11 N1 C12 C13 1.1(18) . . . . ?
C11 C19 C20 C21 -179.7(11) . . . . ?
C12 N1 C11 O15 -178.0(12) . . . . ?
C12 N1 C11 C19 -0.9(19) . . . . ?
C12 C13 C14 C15 -176.5(10) . . . . ?
C12 C13 C18 C17 177.4(9) . . . . ?
C12 C13 C18 C19 -0.1(15) . . . . ?
C13 C14 C15 C16 -1.9(16) . . . . ?
C13 C18 C19 C11 0.4(16) . . . . ?
C13 C18 C19 C20 -177.9(10) . . . . ?
C14 C13 C18 C17 -1.4(15) . . . . ?
C14 C13 C18 C19 -178.8(10) . . . . ?
C14 C15 C16 C17 0.7(15) . . . . ?
C14 C15 C16 C24 175.8(10) . . . . ?
C15 C16 C17 C18 0.1(14) . . . . ?
C15 C16 C17 C22 -176.4(10) . . . . ?
C15 C16 C24 O10 -5.1(15) . . . . ?
C15 C16 C24 N2 175.3(10) . . . . ?
C16 C17 C18 C13 0.2(14) . . . . ?
C16 C17 C18 C19 177.7(9) . . . . ?
C16 C17 C22 C21 -179.7(10) . . . . ?
C16 C17 C22 C23 -0.4(15) . . . . ?
C17 C16 C24 O10 170.1(9) . . . . ?
C17 C16 C24 N2 -9.5(14) . . . . ?
C17 C18 C19 C11 -177.1(10) . . . . ?
C17 C18 C19 C20 4.6(16) . . . . ?
C17 C22 C23 O12 175.5(11) . . . . ?
C17 C22 C23 N2 -6.0(14) . . . . ?
C18 C13 C14 C15 2.2(16) . . . . ?
C18 C17 C22 C21 3.8(15) . . . . ?
C18 C17 C22 C23 -176.9(9) . . . . ?
C18 C19 C20 C21 -1.5(17) . . . . ?
C19 C20 C21 C22 -0.6(18) . . . . ?
C20 C21 C22 C17 -0.6(18) . . . . ?
C20 C21 C22 C23 -179.9(11) . . . . ?
C21 C22 C23 O12 -5.2(18) . . . . ?
C21 C22 C23 N2 173.3(10) . . . . ?
C22 C17 C18 C13 176.7(9) . . . . ?
C22 C17 C18 C19 -5.8(15) . . . . ?
C23 N2 C24 O10 -176.7(10) . . . . ?
C23 N2 C24 C16 2.9(15) . . . . ?
C24 N2 C23 O12 -176.6(10) . . . . ?
C24 N2 C23 C22 4.8(15) . . . . ?
C24 C16 C17 C18 -175.2(9) . . . . ?
C24 C16 C17 C22 8.2(14) . . . . ?
C25 C26 C27 Rh2 59.9(7) . . . . ?
C25 C26 C27 C28 -3.5(12) . . . . ?
C25 C26 C27 C32 179.2(10) . . . . ?
C26 C25 C29 Rh2 -60.9(8) . . . . ?
C26 C25 C29 C28 1.6(12) . . . . ?
C26 C25 C29 C34 178.6(11) . . . . ?
C26 C27 C28 Rh2 63.3(7) . . . . ?
C26 C27 C28 C29 4.5(12) . . . . ?
C26 C27 C28 C33 -178.3(10) . . . . ?
C27 C28 C29 Rh2 58.4(7) . . . . ?
C27 C28 C29 C25 -3.8(12) . . . . ?
C27 C28 C29 C34 179.3(11) . . . . ?
C29 C25 C26 Rh2 59.8(7) . . . . ?
C29 C25 C26 C27 1.1(12) . . . . ?
C29 C25 C26 C31 177.8(11) . . . . ?
C30 C25 C26 Rh2 -125.7(12) . . . . ?
C30 C25 C26 C27 175.6(11) . . . . ?
C30 C25 C26 C31 -7.8(19) . . . . ?
C30 C25 C29 Rh2 124.7(12) . . . . ?
C30 C25 C29 C28 -172.8(11) . . . . ?
C30 C25 C29 C34 4.2(18) . . . . ?
C31 C26 C27 Rh2 -116.8(11) . . . . ?
C31 C26 C27 C28 179.8(11) . . . . ?
C31 C26 C27 C32 2.4(18) . . . . ?
C32 C27 C28 Rh2 -119.4(11) . . . . ?
C32 C27 C28 C29 -178.2(11) . . . . ?
C32 C27 C28 C33 -1.1(18) . . . . ?
C33 C28 C29 Rh2 -118.8(11) . . . . ?
C33 C28 C29 C25 179.0(10) . . . . ?
C33 C28 C29 C34 2.2(18) . . . . ?
C35 N3 C39 C38 -4.1(16) . . . . ?
C35 C36 C37 C38 0.3(17) . . . . ?
C35 C36 C37 C40 -178.8(11) . . . . ?
C36 C37 C38 C39 -0.6(17) . . . . ?
C36 C37 C40 C41 132.6(15) . . . . ?
C37 C38 C39 N3 2.6(18) . . . . ?
C37 C40 C41 N4 -67.7(19) . . . . ?
C38 C37 C40 C41 -46.4(19) . . . . ?
C39 N3 C35 C36 3.7(16) . . . . ?
C40 C37 C38 C39 178.4(11) . . . . ?
C41 N4 C42 O9 3(2) . . . . ?
C41 N4 C42 C43 174.6(11) . . . . ?
C42 N4 C41 C40 153.9(14) . . . . ?
C42 C43 C44 C45 175.4(11) . . . . ?
C42 C43 C48 C47 -176.3(12) . . . . ?
C43 C44 C45 C46 2.8(18) . . . . ?
C43 C44 C45 C49 -178.3(11) . . . . ?
C44 C43 C48 C47 2(2) . . . . ?
C44 C45 C46 C47 -1.6(18) . . . . ?
C44 C45 C46 C52 -178.5(11) . . . . ?
C44 C45 C49 C50 177.1(11) . . . . ?
C45 C46 C47 C48 1(2) . . . . ?
C45 C46 C52 C51 -0.1(18) . . . . ?
C45 C49 C50 C51 3.0(19) . . . . ?
C46 C45 C49 C50 -4.1(17) . . . . ?
C46 C47 C48 C43 -1(2) . . . . ?
C47 C46 C52 C51 -177.0(12) . . . . ?
C48 C43 C44 C45 -3.1(18) . . . . ?
C49 C45 C46 C47 179.5(11) . . . . ?
C49 C45 C46 C52 2.6(18) . . . . ?
C49 C50 C51 C52 0(2) . . . . ?
C49 C50 C51 C53 -179.6(11) . . . . ?
C50 C51 C52 C46 -1.1(19) . . . . ?
C50 C51 C53 O8 8(2) . . . . ?
C50 C51 C53 N5 -171.3(12) . . . . ?
C52 C46 C47 C48 177.7(12) . . . . ?
C52 C51 C53 O8 -171.3(14) . . . . ?
C52 C51 C53 N5 9.6(19) . . . . ?
C53 N5 C54 C55 129.7(15) . . . . ?
C53 C51 C52 C46 178.1(11) . . . . ?
C54 N5 C53 O8 1(2) . . . . ?
C54 N5 C53 C51 -179.9(11) . . . . ?
C54 C55 C56 C57 -59(2) . . . . ?
C54 C55 C56 C60 124.3(16) . . . . ?
C55 C56 C57 C58 179.7(14) . . . . ?
C55 C56 C60 C59 178.2(13) . . . . ?
C56 C57 C58 N6 6(2) . . . . ?
C57 C56 C60 C59 2(2) . . . . ?
C58 N6 C59 C60 4(2) . . . . ?
C59 N6 C58 C57 -6(2) . . . . ?
C60 C56 C57 C58 -4(2) . . . . ?
O1 S1 C61 F1 -65(5) . . . . ?
O1 S1 C61 F2 61(5) . . . . ?
O1 S1 C61 F3 177(4) . . . . ?
O2 S1 C61 F1 60(5) . . . . ?
O2 S1 C61 F2 -174(4) . . . . ?
O2 S1 C61 F3 -58(5) . . . . ?
O3 S1 C61 F1 176(4) . . . . ?
O3 S1 C61 F2 -58(5) . . . . ?
O3 S1 C61 F3 58(5) . . . . ?
O4 S2 C62 F4 -43(3) . . . . ?
O4 S2 C62 F5 70(2) . . . . ?
O4 S2 C62 F6 179(2) . . . . ?
O5 S2 C62 F4 73(2) . . . . ?
O5 S2 C62 F5 -173.9(17) . . . . ?
O5 S2 C62 F6 -65(2) . . . . ?
O6 S2 C62 F4 -172(2) . . . . ?
O6 S2 C62 F5 -58.5(19) . . . . ?
O6 S2 C62 F6 50(2) . . . . ?

_smtbx_masks_special_details     
; 
A solvent mask was calculated and 250 electrons were 
found in a volume of 792Å³ in 2 voids per unit cell. 
This is consistent with the presence of 
1[C3H7NO], 1[CH3OH] per Asymmetric Unit 
which account for 232 electrons 
per unit cell. 
;
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.000 0.133 209.8 90.7 '2 C3H7NO'
2 0.243 0.551 0.354 92.6 16.7 '1 CH3OH'
3 0.257 0.051 0.646 92.6 18.2 '1 CH3OH'
4 0.500 0.500 0.867 209.8 90.7 '2 C3H7NO'
5 0.743 0.949 0.646 92.6 16.9 '1 CH3OH'
6 0.757 0.449 0.354 92.6 17.9 '1 CH3OH'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.53(2)
2 0.47(2)

####################################################################### 
# 
# 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_ga_231118c_a
_database_code_depnum_ccdc_archive 'CCDC 2345678'
loop_
_audit_author_name
_audit_author_address
'Huijun Feng'
;Shanxi Normal University
China
;
_audit_update_record             
;
2024-04-04 deposited with the CCDC.	2024-06-19 downloaded from the CCDC.
;
_audit_creation_date             2023-11-30
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C56 H56 N6 O8 Rh2, C56 H55 N6 O8 Rh2, 4(C F3 O3 S), 3(C H4 O), 6[CH3OH], 1[H2O], 1[H2O]'
_chemical_formula_sum            'C125 H151 F12 N12 O39 Rh4 S4'
_chemical_formula_weight         3213.45
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 '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'
F F 0.0583 0.0400 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -0.0161 2.8414 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.2925 0.4295 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   22.9933(18)
_cell_length_b                   21.6473(17)
_cell_length_c                   26.969(2)
_cell_angle_alpha                90
_cell_angle_beta                 99.593(4)
_cell_angle_gamma                90
_cell_volume                     13236.0(18)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9507
_cell_measurement_temperature    173.00
_cell_measurement_theta_max      53.168
_cell_measurement_theta_min      2.990
_shelx_estimated_absorpt_T_max   0.711
_shelx_estimated_absorpt_T_min   0.407
_exptl_absorpt_coefficient_mu    3.653
_exptl_absorpt_correction_T_max  0.7504
_exptl_absorpt_correction_T_min  0.2686
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1749 before and 0.0989 after correction.
The Ratio of minimum to maximum transmission is 0.3579.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            brown
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.613
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             6596
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1191
_diffrn_reflns_av_unetI/netI     0.0857
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            101492
_diffrn_reflns_point_group_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        53.326
_diffrn_reflns_theta_max         53.326
_diffrn_reflns_theta_min         2.702
_diffrn_ambient_temperature      173.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34139
_diffrn_source                   ?
_diffrn_source_current           2.86
_diffrn_source_power             0.19994259999999997
_diffrn_source_voltage           69.91
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                15317
_reflns_number_total             23323
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         2.433
_refine_diff_density_min         -1.537
_refine_diff_density_rms         0.176
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.111
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1613
_refine_ls_number_reflns         23323
_refine_ls_number_restraints     1871
_refine_ls_R_factor_all          0.1741
_refine_ls_R_factor_gt           0.1325
_refine_ls_restrained_S_all      1.107
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0100P)²+300.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2618
_refine_ls_wR_factor_ref         0.2817
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Restrained distances
 S3-C117
 1.7 with sigma of 0.02
 F11-C117 = F3-C117 = F9-C117
 1.35 with sigma of 0.02
 C70-C101
 1.53 with sigma of 0.01
3. Rigid bond restraints
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 2A
Uanis(F3) \\sim Ueq, Uanis(S3) \\sim Ueq, Uanis(O7) \\sim Ueq, Uanis(O15) \\sim
Ueq, Uanis(O27) \\sim Ueq, Uanis(C117) \\sim Ueq, Uanis(F9) \\sim Ueq,
Uanis(F11) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(N9) \\sim Ueq, Uanis(C92) \\sim Ueq, Uanis(C94) \\sim Ueq, Uanis(C96)
\\sim Ueq, Uanis(C98) \\sim Ueq, Uanis(C100) \\sim Ueq, Uanis(C119) \\sim Ueq,
Uanis(C7) \\sim Ueq, Uanis(N5) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
5. Others
 Sof(Rh2)=1-FVAR(1)
 Sof(Rh5)=FVAR(1)
 Sof(Rh1B)=1-FVAR(2)
 Sof(Rh1A)=FVAR(2)
6.a Secondary CH2 refined with riding coordinates:
 C27(H27A,H27B), C31(H31A,H31B), C41(H41A,H41B), C43(H43A,H43B), C7(H7A,H7B),
 C109(H10J,H10K), C119(H11H,H11I)
6.b Aromatic/amide H refined with riding coordinates:
 N2(H2), C11(H11), C35(H35), C34(H34), C22(H22), N7(H7), C33(H33), C85(H85),
 C69(H69), C112(H112), C1(H1), C44(H44), C56(H56), C60(H60), C17(H17), C65(H65),
  C63(H63), C108(H108), C86(H86), C67(H67), C25(H25), C104(H104), N5(H5),
 C92(H92), C94(H94), C98(H98), C100(H100), N11(H11A), C46(H46), C48(H48),
 C64(H64), C82(H82), C95(H95), C87(H87), C90(H90), C5(H5A), C111(H111)
6.c Fitted hexagon refined as free rotating group:
 N6(C11,C35,C88,C34,C22), N8(C33,C85,C73,C69,C112), C75(C17,C65,C2,C63,C108),
 N3(C86,C67,C49,C25,C104), N9(C92,C94,C96,C98,C100), C99(C95,C87,C101,C90,C5)
6.d Idealised Me refined as rotating group:
 C3(H3A,H3B,H3C), C47(H47A,H47B,H47C), C53(H53A,H53B,H53C), C71(H71A,H71B,
 H71C), C81(H81A,H81B,H81C), C83(H83A,H83B,H83C), C89(H89A,H89B,H89C), C91(H91A,
 H91B,H91C), C97(H97A,H97B,H97C), C103(H10A,H10B,H10C), C13(H13A,H13B,H13C),
 C15(H15A,H15B,H15C), C23(H23A,H23B,H23C), C45(H45A,H45B,H45C), C84(H84A,H84B,
 H84C), C93(H93A,H93B,H93C), C105(H10D,H10E,H10F), C107(H10G,H10H,H10I),
 C113(H11B,H11C,H11D), C118(H11E,H11F,H11G), C55(H55A,H55B,H55C), C115(H11J,
 H11K,H11L), C51(H51A,H51B,H51C)
6.e Idealised tetrahedral OH refined as rotating group:
 O9(H9), O21(H21), O28(H28)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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
Rh1B Rh 0.73044(19) 0.44382(9) 0.45721(18) 0.0376(6) Uani 0.88(2) 1 d . U P A 2
Rh2 Rh 0.73925(14) 0.99256(7) 0.45855(7) 0.0367(5) Uani 0.854(9) 1 d . U P B 2
O2 O 0.8215(6) 0.8414(5) 0.2221(5) 0.082(3) Uani 1 1 d . U . . .
O4 O 0.5925(4) 0.8404(4) 0.4229(3) 0.051(2) Uani 1 1 d . U . . .
O6 O 0.6881(4) 0.5312(4) 0.4448(3) 0.0434(17) Uani 1 1 d . U . . .
O8 O 0.7819(4) 0.9061(4) 0.4585(3) 0.0476(18) Uani 1 1 d . U . . .
O12 O 0.8791(4) 0.5964(4) 0.4667(3) 0.051(2) Uani 1 1 d . U . . .
O14 O 0.6679(4) 0.9311(4) 0.4440(3) 0.0501(18) Uani 1 1 d . U . . .
O18 O 0.8018(4) 0.5060(4) 0.4593(3) 0.0494(17) Uani 1 1 d . U . . .
O32 O 0.6262(6) 0.5809(6) 0.1461(5) 0.091(4) Uani 1 1 d . U . . .
N2 N 0.7039(6) 0.5402(6) 0.1947(4) 0.059(2) Uani 1 1 d . U . . .
H2 H 0.738810 0.546452 0.213041 0.071 Uiso 1 1 calc R U . . .
N4 N 0.6886(5) 0.8714(5) 0.4425(4) 0.0411(18) Uani 1 1 d . U . . .
N6 N 0.7276(3) 0.4422(4) 0.37848(19) 0.046(2) Uani 1 1 d G U . . .
C11 C 0.7787(3) 0.4340(4) 0.3580(3) 0.058(3) Uani 1 1 d G U . A .
H11 H 0.815684 0.429969 0.379406 0.069 Uiso 1 1 calc R U . . .
C35 C 0.7755(3) 0.4317(5) 0.3061(3) 0.059(3) Uani 1 1 d G U . A .
H35 H 0.810437 0.426063 0.292064 0.070 Uiso 1 1 calc R U . . .
C88 C 0.7214(4) 0.4376(4) 0.2747(2) 0.053(2) Uani 1 1 d G U . A .
C34 C 0.6703(3) 0.4458(4) 0.2952(2) 0.049(2) Uani 1 1 d G U . A .
H34 H 0.633310 0.449870 0.273788 0.058 Uiso 1 1 calc R U . . .
C22 C 0.6734(3) 0.4482(4) 0.3471(3) 0.047(2) Uani 1 1 d G U . A .
H22 H 0.638555 0.453777 0.361130 0.056 Uiso 1 1 calc R U . . .
N7 N 0.7326(7) 0.8849(6) 0.1999(4) 0.070(3) Uani 1 1 d . U . . .
H7 H 0.694236 0.879230 0.195966 0.084 Uiso 1 1 calc R U . . .
N8 N 0.7327(4) 0.9943(4) 0.3783(2) 0.052(2) Uani 1 1 d G U . . .
C33 C 0.7830(3) 0.9996(4) 0.3563(3) 0.060(3) Uani 1 1 d G U . B .
H33 H 0.820656 1.003194 0.376837 0.072 Uiso 1 1 calc R U . . .
C85 C 0.7782(4) 0.9997(4) 0.3042(3) 0.065(3) Uani 1 1 d G U . B .
H85 H 0.812561 1.003354 0.289188 0.078 Uiso 1 1 calc R U . . .
C73 C 0.7231(5) 0.9945(4) 0.2742(2) 0.066(3) Uani 1 1 d G U . B .
C69 C 0.6728(4) 0.9892(4) 0.2962(3) 0.065(3) Uani 1 1 d G U . B .
H69 H 0.635138 0.985673 0.275692 0.078 Uiso 1 1 calc R U . . .
C112 C 0.6776(3) 0.9891(4) 0.3483(3) 0.059(3) Uani 1 1 d G U . B .
H112 H 0.643232 0.985514 0.363340 0.071 Uiso 1 1 calc R U . . .
N10 N 0.7837(5) 0.5647(5) 0.4547(4) 0.0432(19) Uani 1 1 d . U . . .
C1 C 0.6440(6) 0.6519(6) 0.4302(4) 0.039(2) Uani 1 1 d . U . . .
H1 H 0.616259 0.619135 0.424129 0.046 Uiso 1 1 calc R U . . .
C3 C 0.8627(8) 1.0195(9) 0.5295(7) 0.082(4) Uani 1 1 d . U . . .
H3A H 0.863316 0.974372 0.532697 0.123 Uiso 1 1 calc R U . . .
H3B H 0.878034 1.038083 0.562228 0.123 Uiso 1 1 calc R U . . .
H3C H 0.887235 1.032056 0.504902 0.123 Uiso 1 1 calc R U . . .
C4 C 0.8279(6) 0.6104(6) 0.4610(4) 0.042(2) Uani 1 1 d . U . . .
C10 C 0.8064(6) 0.6748(6) 0.4591(4) 0.042(2) Uani 1 1 d . U . . .
C14 C 0.7114(6) 0.4212(6) 0.5314(4) 0.047(2) Uani 1 1 d . U . . .
C16 C 0.7033(6) 0.6391(5) 0.4415(4) 0.039(2) Uani 1 1 d . U . . .
C18 C 0.7447(6) 0.6881(5) 0.4480(4) 0.040(2) Uani 1 1 d . U . . .
C19 C 0.7159(8) 1.0829(6) 0.4706(5) 0.060(2) Uani 1 1 d . U . . .
C20 C 0.7246(6) 0.7488(6) 0.4450(4) 0.039(2) Uani 1 1 d . U . . .
C26 C 0.7615(7) 0.3560(6) 0.4850(5) 0.052(2) Uani 1 1 d . U . . .
C27 C 0.7196(9) 0.9965(7) 0.2157(5) 0.077(3) Uani 1 1 d . U . . .
H27A H 0.678031 0.991502 0.199380 0.093 Uiso 1 1 calc R U . B .
H27B H 0.733341 1.037411 0.205924 0.093 Uiso 1 1 calc R U . . .
C31 C 0.6806(7) 0.4779(7) 0.1861(5) 0.062(3) Uani 1 1 d . U . . .
H31A H 0.677649 0.467061 0.150111 0.074 Uiso 1 1 calc R U . . .
H31B H 0.640554 0.475745 0.195021 0.074 Uiso 1 1 calc R U . . .
C32 C 0.6432(6) 0.8253(6) 0.4330(4) 0.043(2) Uani 1 1 d . U . . .
C36 C 0.7475(6) 0.8614(6) 0.4523(4) 0.043(2) Uani 1 1 d . U . . .
C38 C 0.7249(6) 0.5744(5) 0.4470(4) 0.039(2) Uani 1 1 d . U . . .
C39 C 0.7689(7) 0.3979(6) 0.5279(5) 0.053(2) Uani 1 1 d . U . . .
C41 C 0.7210(7) 0.4328(7) 0.2180(5) 0.058(3) Uani 1 1 d . U . . .
H41A H 0.761753 0.439375 0.211617 0.070 Uiso 1 1 calc R U . A .
H41B H 0.709263 0.390321 0.207053 0.070 Uiso 1 1 calc R U . . .
C43 C 0.7569(9) 0.9462(7) 0.1968(6) 0.076(3) Uani 1 1 d . U . . .
H43A H 0.760265 0.955030 0.161356 0.091 Uiso 1 1 calc R U . . .
H43B H 0.797060 0.947388 0.216810 0.091 Uiso 1 1 calc R U . . .
C44 C 0.6245(6) 0.7137(6) 0.4274(4) 0.040(2) Uani 1 1 d . U . . .
H44 H 0.583518 0.722593 0.420408 0.048 Uiso 1 1 calc R U . . .
C47 C 0.7538(8) 0.9736(7) 0.5778(5) 0.066(4) Uani 1 1 d . U . . .
H47A H 0.744379 0.996806 0.606654 0.098 Uiso 1 1 calc R U . . .
H47B H 0.793874 0.956837 0.586106 0.098 Uiso 1 1 calc R U . . .
H47C H 0.725678 0.939590 0.569867 0.098 Uiso 1 1 calc R U . . .
C50 C 0.6985(7) 1.0440(7) 0.5094(5) 0.059(2) Uani 1 1 d . U . . .
C52 C 0.7684(6) 0.7973(5) 0.4543(4) 0.040(2) Uani 1 1 d . U . . .
C53 C 0.8127(9) 1.1194(8) 0.4438(6) 0.087(5) Uani 1 1 d . U . . .
H53A H 0.852910 1.102977 0.447011 0.131 Uiso 1 1 calc R U . . .
H53B H 0.814250 1.162465 0.455117 0.131 Uiso 1 1 calc R U . . .
H53C H 0.793552 1.117244 0.408577 0.131 Uiso 1 1 calc R U . . .
C54 C 0.6647(6) 0.7610(6) 0.4349(4) 0.041(2) Uani 1 1 d . U . . .
C56 C 0.8270(6) 0.7844(6) 0.4632(4) 0.042(2) Uani 1 1 d . U . . .
H56 H 0.854781 0.817224 0.467435 0.050 Uiso 1 1 calc R U . . .
C60 C 0.8468(6) 0.7236(6) 0.4663(4) 0.045(2) Uani 1 1 d . U . . .
H60 H 0.887916 0.715253 0.473216 0.053 Uiso 1 1 calc R U . . .
C61 C 0.8031(7) 1.0399(7) 0.5131(5) 0.058(2) Uani 1 1 d . U . . .
C71 C 0.6996(8) 0.4659(7) 0.5695(5) 0.063(4) Uani 1 1 d . U . . .
H71A H 0.728450 0.499543 0.571846 0.095 Uiso 1 1 calc R U . . .
H71B H 0.702734 0.445220 0.602142 0.095 Uiso 1 1 calc R U . . .
H71C H 0.659768 0.482716 0.559834 0.095 Uiso 1 1 calc R U . . .
C72 C 0.7706(9) 0.8355(7) 0.2090(5) 0.061(3) Uani 1 1 d . U . . .
C75 C 0.6989(4) 0.6516(3) 0.1856(3) 0.055(2) Uani 1 1 d G U . . .
C17 C 0.6596(3) 0.7007(4) 0.1830(3) 0.058(3) Uani 1 1 d G U . . .
H17 H 0.618361 0.693302 0.175717 0.069 Uiso 1 1 calc R U . . .
C65 C 0.6807(4) 0.7607(4) 0.1910(3) 0.056(3) Uani 1 1 d G U . . .
H65 H 0.653844 0.794259 0.189232 0.068 Uiso 1 1 calc R U . . .
C2 C 0.7411(4) 0.7715(3) 0.2017(3) 0.054(2) Uani 1 1 d G U . . .
C63 C 0.7804(3) 0.7224(4) 0.2043(3) 0.055(3) Uani 1 1 d G U . . .
H63 H 0.821661 0.729765 0.211543 0.066 Uiso 1 1 calc R U . . .
C108 C 0.7593(4) 0.6624(3) 0.1962(3) 0.052(3) Uani 1 1 d G U . . .
H108 H 0.786179 0.628807 0.198028 0.062 Uiso 1 1 calc R U . . .
C76 C 0.6989(7) 0.3501(6) 0.4662(5) 0.054(2) Uani 1 1 d . U . . .
C78 C 0.6693(7) 0.3924(6) 0.4928(5) 0.051(2) Uani 1 1 d . U . . .
C79 C 0.6719(8) 0.5871(7) 0.1745(5) 0.062(3) Uani 1 1 d . U . . .
C81 C 0.6047(7) 0.4031(8) 0.4853(6) 0.068(4) Uani 1 1 d . U . . .
H81A H 0.596932 0.445434 0.495327 0.102 Uiso 1 1 calc R U . . .
H81B H 0.586621 0.373872 0.505973 0.102 Uiso 1 1 calc R U . . .
H81C H 0.587946 0.397051 0.449824 0.102 Uiso 1 1 calc R U . . .
C83 C 0.6704(8) 0.3114(6) 0.4220(5) 0.068(4) Uani 1 1 d . U . . .
H83A H 0.635970 0.333185 0.403864 0.102 Uiso 1 1 calc R U . . .
H83B H 0.657946 0.271661 0.434210 0.102 Uiso 1 1 calc R U . . .
H83C H 0.698876 0.304157 0.399321 0.102 Uiso 1 1 calc R U . . .
C89 C 0.6358(8) 1.0320(8) 0.5197(6) 0.075(4) Uani 1 1 d . U . . .
H89A H 0.636804 0.999264 0.544939 0.113 Uiso 1 1 calc R U . . .
H89B H 0.610542 1.019036 0.488464 0.113 Uiso 1 1 calc R U . . .
H89C H 0.619929 1.069871 0.532152 0.113 Uiso 1 1 calc R U . . .
C91 C 0.6720(9) 1.1216(7) 0.4354(6) 0.080(5) Uani 1 1 d . U . . .
H91A H 0.689296 1.133357 0.405860 0.120 Uiso 1 1 calc R U . . .
H91B H 0.662367 1.158950 0.452893 0.120 Uiso 1 1 calc R U . . .
H91C H 0.636021 1.097580 0.424571 0.120 Uiso 1 1 calc R U . . .
C97 C 0.8232(7) 0.4140(8) 0.5580(5) 0.068(4) Uani 1 1 d . U . . .
H97A H 0.855421 0.407169 0.538961 0.102 Uiso 1 1 calc R U . . .
H97B H 0.829509 0.388325 0.588363 0.102 Uiso 1 1 calc R U . . .
H97C H 0.822360 0.457619 0.567564 0.102 Uiso 1 1 calc R U . . .
C102 C 0.7782(8) 1.0817(7) 0.4757(5) 0.060(2) Uani 1 1 d . U . . .
C103 C 0.8114(8) 0.3192(8) 0.4685(6) 0.077(4) Uani 1 1 d . U . . .
H10A H 0.798878 0.304081 0.434167 0.115 Uiso 1 1 calc R U . . .
H10B H 0.821378 0.283987 0.491246 0.115 Uiso 1 1 calc R U . . .
H10C H 0.846129 0.345729 0.469617 0.115 Uiso 1 1 calc R U . . .
C106 C 0.7502(7) 1.0146(7) 0.5345(5) 0.058(2) Uani 1 1 d . U . . .
Rh3 Rh 0.99431(5) 0.72301(5) 0.35218(4) 0.0519(3) Uani 1 1 d . U . . .
Rh4 Rh 0.47096(5) 0.71655(5) 0.28785(4) 0.0445(3) Uani 1 1 d . U . . .
O1 O 0.5524(4) 0.7652(4) 0.2975(3) 0.0423(17) Uani 1 1 d . U . . .
O5 O 0.8174(6) 0.9078(8) 0.0821(6) 0.105(4) Uani 1 1 d . U . . .
O10 O 0.9130(4) 0.6754(4) 0.3384(3) 0.0479(18) Uani 1 1 d . U . . .
O16 O 0.5319(4) 0.6470(4) 0.3078(3) 0.0510(19) Uani 1 1 d . U . . .
O19 O 0.5516(6) 0.7550(7) 0.0147(5) 0.104(4) Uani 1 1 d . U . . .
O20 O 0.8471(5) 0.8703(4) 0.3553(4) 0.062(2) Uani 1 1 d . U . . .
O22 O 0.9345(4) 0.7898(5) 0.3695(4) 0.063(2) Uani 1 1 d . U . . .
O24 O 0.6168(4) 0.5683(4) 0.3078(4) 0.062(3) Uani 1 1 d . U . . .
N1 N 0.5878(5) 0.6679(5) 0.3072(4) 0.0440(19) Uani 1 1 d . U . . .
N3 N 0.4871(4) 0.6975(4) 0.2126(2) 0.055(2) Uani 1 1 d G U . . .
C86 C 0.4914(4) 0.7453(3) 0.1790(3) 0.062(3) Uani 1 1 d G U . . .
H86 H 0.495550 0.786687 0.190638 0.074 Uiso 1 1 calc R U . . .
C67 C 0.4897(5) 0.7324(4) 0.1282(3) 0.072(3) Uani 1 1 d G U . . .
H67 H 0.492698 0.765052 0.105256 0.086 Uiso 1 1 calc R U . . .
C49 C 0.4837(5) 0.6718(5) 0.1112(2) 0.082(3) Uani 1 1 d G U . . .
C25 C 0.4794(5) 0.6240(4) 0.1448(3) 0.077(3) Uani 1 1 d G U . . .
H25 H 0.475262 0.582591 0.133122 0.092 Uiso 1 1 calc R U . . .
C104 C 0.4811(5) 0.6369(4) 0.1955(3) 0.065(3) Uani 1 1 d G U . . .
H104 H 0.478114 0.604225 0.218504 0.079 Uiso 1 1 calc R U . . .
N5 N 0.8706(8) 0.8208(9) 0.0942(6) 0.108(4) Uani 1 1 d . U . . .
H5 H 0.871465 0.780157 0.093662 0.130 Uiso 1 1 calc R U . . .
N9 N 0.9718(5) 0.7581(6) 0.2778(3) 0.085(3) Uani 1 1 d G U . . .
C92 C 0.9636(6) 0.7152(5) 0.2389(5) 0.100(4) Uani 1 1 d G U . . .
H92 H 0.959532 0.672573 0.246127 0.120 Uiso 1 1 calc R U . . .
C94 C 0.9614(6) 0.7345(7) 0.1895(4) 0.114(4) Uani 1 1 d G U . . .
H94 H 0.955793 0.705143 0.162922 0.137 Uiso 1 1 calc R U . . .
C96 C 0.9674(7) 0.7968(8) 0.1789(4) 0.119(4) Uani 1 1 d G U . . .
C98 C 0.9756(6) 0.8397(5) 0.2178(5) 0.112(4) Uani 1 1 d G U . . .
H98 H 0.979705 0.882327 0.210526 0.135 Uiso 1 1 calc R U . . .
C100 C 0.9778(6) 0.8204(5) 0.2672(5) 0.101(4) Uani 1 1 d G U . . .
H100 H 0.983445 0.849758 0.293732 0.121 Uiso 1 1 calc R U . . .
N11 N 0.5837(8) 0.6720(8) 0.0554(5) 0.096(3) Uani 1 1 d . U . . .
H11A H 0.612140 0.652245 0.074950 0.115 Uiso 1 1 calc R U . . .
N12 N 0.8784(5) 0.7713(5) 0.3507(4) 0.049(2) Uani 1 1 d . U . . .
C6 C 0.7040(6) 0.7099(5) 0.3168(4) 0.0375(19) Uani 1 1 d . U . . .
C7 C 0.9267(10) 0.8587(12) 0.1025(9) 0.119(4) Uani 1 1 d . U . . .
H7A H 0.931820 0.878091 0.070238 0.143 Uiso 1 1 calc R U . . .
H7B H 0.922624 0.892285 0.126596 0.143 Uiso 1 1 calc R U . . .
C8 C 0.5961(6) 0.7291(6) 0.3034(4) 0.040(2) Uani 1 1 d . U . . .
C12 C 0.6562(6) 0.7518(5) 0.3100(4) 0.039(2) Uani 1 1 d . U . . .
C13 C 1.0220(8) 0.6995(10) 0.4719(6) 0.084(5) Uani 1 1 d . U . . .
H13A H 0.987908 0.727173 0.469549 0.126 Uiso 1 1 calc R U . . .
H13B H 1.053235 0.713905 0.498625 0.126 Uiso 1 1 calc R U . . .
H13C H 1.010182 0.657556 0.479643 0.126 Uiso 1 1 calc R U . . .
C15 C 0.4355(7) 0.8539(6) 0.3112(5) 0.054(3) Uani 1 1 d . U . . .
H15A H 0.407158 0.878090 0.326493 0.080 Uiso 1 1 calc R U . . .
H15B H 0.436877 0.869557 0.277329 0.080 Uiso 1 1 calc R U . . .
H15C H 0.474739 0.857418 0.331832 0.080 Uiso 1 1 calc R U . . .
C23 C 1.0872(8) 0.8097(8) 0.4232(6) 0.074(4) Uani 1 1 d . U . . .
H23A H 1.084329 0.840621 0.396395 0.112 Uiso 1 1 calc R U . . .
H23B H 1.127042 0.810213 0.442913 0.112 Uiso 1 1 calc R U . . .
H23C H 1.058484 0.819367 0.445240 0.112 Uiso 1 1 calc R U . . .
C24 C 0.6928(6) 0.6449(5) 0.3149(4) 0.039(2) Uani 1 1 d . U . . .
C28 C 0.6304(6) 0.6233(6) 0.3086(5) 0.045(2) Uani 1 1 d . U . . .
C30 C 0.7632(6) 0.7302(6) 0.3261(4) 0.040(2) Uani 1 1 d . U . . .
C37 C 1.0673(7) 0.6649(8) 0.3479(6) 0.067(2) Uani 1 1 d . U . . .
C40 C 0.4316(6) 0.7452(6) 0.3497(5) 0.047(2) Uani 1 1 d . U . . .
C42 C 0.8077(6) 0.6873(6) 0.3302(4) 0.039(2) Uani 1 1 d . U . . .
C45 C 0.4108(8) 0.6293(7) 0.3638(6) 0.069(4) Uani 1 1 d . U . . .
H45A H 0.451590 0.622902 0.380484 0.103 Uiso 1 1 calc R U . . .
H45B H 0.397871 0.593793 0.342259 0.103 Uiso 1 1 calc R U . . .
H45C H 0.385209 0.633633 0.389299 0.103 Uiso 1 1 calc R U . . .
C46 C 0.7271(6) 0.8358(6) 0.3231(4) 0.041(2) Uani 1 1 d . U . . .
H46 H 0.735178 0.878797 0.325163 0.049 Uiso 1 1 calc R U . . .
C48 C 0.7394(6) 0.6043(6) 0.3200(4) 0.043(2) Uani 1 1 d . U . . .
H48 H 0.731864 0.561139 0.318702 0.052 Uiso 1 1 calc R U . . .
C58 C 0.8692(6) 0.7102(6) 0.3391(4) 0.044(2) Uani 1 1 d . U . . .
C59 C 0.8174(10) 0.8532(12) 0.0875(7) 0.094(3) Uani 1 1 d . U . . .
C62 C 0.7728(6) 0.7938(6) 0.3300(4) 0.042(2) Uani 1 1 d . U . . .
C64 C 0.6688(6) 0.8149(6) 0.3130(4) 0.042(2) Uani 1 1 d . U . . .
H64 H 0.637463 0.843953 0.308006 0.050 Uiso 1 1 calc R U . . .
C66 C 0.3856(6) 0.7567(6) 0.2667(5) 0.050(2) Uani 1 1 d . U . . .
C68 C 0.4171(6) 0.7879(6) 0.3081(5) 0.047(2) Uani 1 1 d . U . . .
C70 C 0.5929(6) 0.7243(9) 0.0445(6) 0.081(3) Uani 1 1 d D U . . .
C74 C 0.8317(6) 0.8167(6) 0.3448(5) 0.050(2) Uani 1 1 d . U . . .
C77 C 1.0398(7) 0.6464(8) 0.3901(6) 0.067(3) Uani 1 1 d . U . . .
C80 C 0.3812(6) 0.6918(7) 0.2812(5) 0.053(2) Uani 1 1 d . U . . .
C82 C 0.7967(6) 0.6250(6) 0.3267(4) 0.041(2) Uani 1 1 d . U . . .
H82 H 0.828342 0.596429 0.329040 0.049 Uiso 1 1 calc R U . . .
C84 C 0.3607(7) 0.7831(7) 0.2161(5) 0.060(4) Uani 1 1 d . U . . .
H84A H 0.323271 0.803807 0.217920 0.090 Uiso 1 1 calc R U . . .
H84B H 0.354043 0.749667 0.191252 0.090 Uiso 1 1 calc R U . . .
H84C H 0.388657 0.812902 0.206080 0.090 Uiso 1 1 calc R U . . .
C93 C 0.3525(7) 0.6427(7) 0.2491(6) 0.064(4) Uani 1 1 d . U . . .
H93A H 0.309617 0.647570 0.245193 0.096 Uiso 1 1 calc R U . . .
H93B H 0.363877 0.602530 0.264455 0.096 Uiso 1 1 calc R U . . .
H93C H 0.364745 0.645017 0.216023 0.096 Uiso 1 1 calc R U . . .
C99 C 0.7630(4) 0.8143(5) 0.0792(3) 0.077(3) Uani 1 1 d G U . . .
C95 C 0.7606(4) 0.7502(5) 0.0762(3) 0.072(3) Uani 1 1 d G U . . .
H95 H 0.795981 0.726748 0.080936 0.087 Uiso 1 1 calc R U . . .
C87 C 0.7063(5) 0.7204(4) 0.0663(3) 0.072(3) Uani 1 1 d G U . . .
H87 H 0.704654 0.676596 0.064282 0.086 Uiso 1 1 calc R U . . .
C101 C 0.6545(4) 0.7547(5) 0.0594(3) 0.072(3) Uani 1 1 d DG U . . .
C90 C 0.6569(4) 0.8187(5) 0.0624(3) 0.069(3) Uani 1 1 d G U . . .
H90 H 0.621455 0.842182 0.057723 0.083 Uiso 1 1 calc R U . . .
C5 C 0.7111(5) 0.8485(4) 0.0723(3) 0.068(3) Uani 1 1 d G U . . .
H5A H 0.712781 0.892334 0.074376 0.082 Uiso 1 1 calc R U . . .
C105 C 1.0122(8) 0.5874(8) 0.3965(8) 0.093(5) Uani 1 1 d . U . . .
H10D H 1.007640 0.564210 0.364874 0.139 Uiso 1 1 calc R U . . .
H10E H 0.973334 0.594238 0.405919 0.139 Uiso 1 1 calc R U . . .
H10F H 1.036944 0.563807 0.423021 0.139 Uiso 1 1 calc R U . . .
C107 C 1.1175(7) 0.7643(9) 0.3191(6) 0.078(4) Uani 1 1 d . U . . .
H10G H 1.158959 0.751804 0.322354 0.118 Uiso 1 1 calc R U . . .
H10H H 1.115351 0.808198 0.327484 0.118 Uiso 1 1 calc R U . . .
H10I H 1.097725 0.757415 0.284481 0.118 Uiso 1 1 calc R U . . .
C109 C 0.4776(9) 0.6623(10) 0.0525(6) 0.095(4) Uani 1 1 d . U . . .
H10J H 0.444488 0.633681 0.041113 0.114 Uiso 1 1 calc R U . . .
H10K H 0.468144 0.702453 0.035446 0.114 Uiso 1 1 calc R U . . .
C110 C 1.0440(7) 0.6993(8) 0.4237(6) 0.066(3) Uani 1 1 d . U . . .
C111 C 0.5293(9) 0.6386(10) 0.0389(7) 0.098(4) Uani 1 1 d . U . . .
H111 H 0.528715 0.601843 0.019522 0.117 Uiso 1 1 calc R U . . .
C113 C 1.0759(9) 0.6222(10) 0.3028(8) 0.099(5) Uani 1 1 d . U . . .
H11B H 1.108024 0.592957 0.313721 0.149 Uiso 1 1 calc R U . . .
H11C H 1.085802 0.647597 0.275226 0.149 Uiso 1 1 calc R U . . .
H11D H 1.039393 0.599448 0.291114 0.149 Uiso 1 1 calc R U . . .
C114 C 0.4073(6) 0.6859(7) 0.3330(5) 0.053(2) Uani 1 1 d . U . . .
C116 C 1.0745(7) 0.7480(8) 0.4010(6) 0.062(2) Uani 1 1 d . U . . .
C118 C 0.4593(7) 0.7612(7) 0.4032(5) 0.057(3) Uani 1 1 d . U . . .
H11E H 0.495889 0.784392 0.402884 0.085 Uiso 1 1 calc R U . . .
H11F H 0.468176 0.723176 0.422697 0.085 Uiso 1 1 calc R U . . .
H11G H 0.431847 0.786545 0.418680 0.085 Uiso 1 1 calc R U . . .
C119 C 0.9798(11) 0.8224(13) 0.1218(9) 0.126(4) Uani 1 1 d . U . . .
H11H H 1.015670 0.848495 0.125400 0.151 Uiso 1 1 calc R U . . .
H11I H 0.984424 0.787371 0.099162 0.151 Uiso 1 1 calc R U . . .
C120 C 1.0877(7) 0.7266(8) 0.3545(6) 0.062(2) Uani 1 1 d . U . . .
S4 S 0.8894(3) 0.5354(2) 0.2293(3) 0.1110(19) Uani 1 1 d . U . . .
F2 F 0.8580(7) 0.4500(8) 0.1632(7) 0.166(5) Uani 1 1 d . U . . .
F8 F 0.8965(6) 0.4192(6) 0.2244(6) 0.135(4) Uani 1 1 d . U . . .
F12 F 0.9527(7) 0.4583(7) 0.1825(7) 0.150(5) Uani 1 1 d . U . . .
O29 O 0.8993(9) 0.5804(8) 0.1934(10) 0.180(6) Uani 1 1 d . U . . .
O30 O 0.8336(6) 0.5321(5) 0.2392(6) 0.092(3) Uani 1 1 d . U . . .
O31 O 0.9334(8) 0.5391(10) 0.2603(9) 0.163(6) Uani 1 1 d . U . . .
C9 C 0.9065(12) 0.4727(11) 0.1947(12) 0.124(4) Uani 1 1 d . U . . .
S2 S 0.4369(3) 0.4132(3) 0.3508(3) 0.1178(18) Uani 1 1 d . U . . .
F5 F 0.5236(8) 0.4286(9) 0.3013(7) 0.175(5) Uani 1 1 d . U . . .
F7 F 0.5182(8) 0.4945(8) 0.3670(7) 0.171(5) Uani 1 1 d . U . . .
F10 F 0.4633(7) 0.5067(7) 0.2922(6) 0.155(5) Uani 1 1 d . U . . .
O3 O 0.4071(8) 0.3815(8) 0.3078(8) 0.152(6) Uani 1 1 d . U . . .
O25 O 0.4079(8) 0.4648(9) 0.3824(8) 0.159(6) Uani 1 1 d . U . . .
O26 O 0.4744(6) 0.3759(5) 0.3839(5) 0.092(3) Uani 1 1 d . U . . .
C57 C 0.4856(13) 0.4670(13) 0.3270(11) 0.124(4) Uani 1 1 d . U . . .
S1 S 0.7243(2) 0.25852(19) 0.06624(15) 0.0695(11) Uani 1 1 d . U . . .
F1 F 0.7237(6) 0.2962(5) 0.1576(4) 0.096(3) Uani 1 1 d . U . . .
F4 F 0.6712(6) 0.3504(5) 0.1022(5) 0.118(4) Uani 1 1 d . U . . .
F6 F 0.7633(6) 0.3588(5) 0.1139(5) 0.109(3) Uani 1 1 d . U . . .
O11 O 0.6757(7) 0.2220(7) 0.0715(7) 0.129(5) Uani 1 1 d . U . . .
O17 O 0.7789(6) 0.2274(6) 0.0862(5) 0.098(4) Uani 1 1 d . U . . .
O23 O 0.7252(9) 0.2913(7) 0.0226(5) 0.134(5) Uani 1 1 d . U . . .
C21 C 0.7205(9) 0.3190(8) 0.1112(7) 0.073(3) Uani 1 1 d . U . . .
S3 S 0.8004(3) 0.2078(4) 0.3127(2) 0.128(2) Uani 1 1 d D U . . .
F3 F 0.8852(7) 0.2373(7) 0.3840(5) 0.144(4) Uani 1 1 d D U . . .
F9 F 0.9033(8) 0.2484(9) 0.3117(6) 0.173(5) Uani 1 1 d D U . . .
F11 F 0.8529(10) 0.3133(9) 0.3392(8) 0.209(6) Uani 1 1 d D U . . .
O7 O 0.7833(8) 0.2375(11) 0.2632(6) 0.165(5) Uani 1 1 d . U . . .
O15 O 0.8236(10) 0.1554(11) 0.3103(8) 0.168(6) Uani 1 1 d . U . . .
O27 O 0.7612(8) 0.2216(11) 0.3480(6) 0.157(5) Uani 1 1 d . U . . .
C117 C 0.8573(9) 0.2519(10) 0.3377(8) 0.143(4) Uani 1 1 d D U . . .
O9 O 0.5222(8) 0.8685(7) -0.0301(6) 0.124(5) Uani 1 1 d . U . . .
H9 H 0.520811 0.842879 -0.006968 0.186 Uiso 1 1 calc R U . . .
C55 C 0.5394(11) 0.9281(10) -0.0086(9) 0.123(7) Uani 1 1 d . U . . .
H55A H 0.523486 0.960632 -0.032250 0.185 Uiso 1 1 calc R U . . .
H55B H 0.582499 0.930930 -0.001692 0.185 Uiso 1 1 calc R U . . .
H55C H 0.523793 0.933111 0.022868 0.185 Uiso 1 1 calc R U . . .
O21 O 0.9108(10) 0.4481(10) 0.4751(7) 0.156(7) Uani 1 1 d . U . . .
H21 H 0.875445 0.457430 0.464340 0.234 Uiso 1 1 calc R U . . .
C115 C 0.9432(14) 0.4577(14) 0.4387(11) 0.168(9) Uani 1 1 d . U . . .
H11J H 0.922586 0.486784 0.413884 0.252 Uiso 1 1 calc R U . . .
H11K H 0.949015 0.418458 0.422094 0.252 Uiso 1 1 calc R U . . .
H11L H 0.981585 0.474976 0.453434 0.252 Uiso 1 1 calc R U . . .
O28 O 0.5524(6) 0.9796(6) 0.4090(6) 0.098(4) Uani 1 1 d . U . . .
H28 H 0.575995 0.950911 0.419387 0.146 Uiso 1 1 calc R U . . .
C51 C 0.4967(8) 0.9642(9) 0.4174(9) 0.096(5) Uani 1 1 d . U . . .
H51A H 0.491353 0.919394 0.414374 0.143 Uiso 1 1 calc R U . . .
H51B H 0.467260 0.984964 0.392488 0.143 Uiso 1 1 calc R U . . .
H51C H 0.491982 0.977399 0.451249 0.143 Uiso 1 1 calc R U . . .
Rh5 Rh 0.7124(10) 0.9958(4) 0.4473(5) 0.0439(19) Uani 0.146(9) 1 d . U P B 1
Rh1A Rh 0.7455(17) 0.4439(8) 0.4703(13) 0.0451(19) Uani 0.12(2) 1 d . U P A 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
Rh1B O6 2.129(9) . ?
Rh1B O18 2.117(10) . ?
Rh1B N6 2.114(7) . ?
Rh1B C14 2.174(13) . ?
Rh1B C26 2.123(13) . ?
Rh1B C39 2.200(14) . ?
Rh1B C76 2.181(14) . ?
Rh1B C78 2.140(14) . ?
Rh2 O8 2.113(9) . ?
Rh2 O14 2.099(9) . ?
Rh2 N8 2.144(6) . ?
Rh2 C19 2.069(14) . ?
Rh2 C50 2.105(14) . ?
Rh2 C61 2.157(15) . ?
Rh2 C102 2.145(14) . ?
Rh2 C106 2.076(13) . ?
O2 C72 1.172(19) . ?
O4 C32 1.197(15) . ?
O6 C38 1.257(14) . ?
O6 Rh1A 2.34(3) . ?
O8 C36 1.244(15) . ?
O8 Rh5 2.500(19) . ?
O12 C4 1.199(15) . ?
O14 N4 1.379(12) . ?
O14 Rh5 1.729(16) . ?
O18 N10 1.336(13) . ?
O18 Rh1A 1.92(3) . ?
O32 C79 1.200(18) . ?
N2 H2 0.8800 . ?
N2 C31 1.456(18) . ?
N2 C79 1.318(19) . ?
N4 C32 1.436(16) . ?
N4 C36 1.354(17) . ?
N6 C11 1.3900 . ?
N6 C22 1.3900 . ?
N6 Rh1A 2.44(4) . ?
C11 H11 0.9500 . ?
C11 C35 1.3900 . ?
C35 H35 0.9500 . ?
C35 C88 1.3900 . ?
C88 C34 1.3900 . ?
C88 C41 1.531(14) . ?
C34 H34 0.9500 . ?
C34 C22 1.3900 . ?
C22 H22 0.9500 . ?
N7 H7 0.8800 . ?
N7 C43 1.45(2) . ?
N7 C72 1.377(19) . ?
N8 C33 1.3900 . ?
N8 C112 1.3900 . ?
N8 Rh5 1.991(11) . ?
C33 H33 0.9500 . ?
C33 C85 1.3900 . ?
C85 H85 0.9500 . ?
C85 C73 1.3900 . ?
C73 C69 1.3900 . ?
C73 C27 1.567(15) . ?
C69 H69 0.9500 . ?
C69 C112 1.3900 . ?
C112 H112 0.9500 . ?
N10 C4 1.409(16) . ?
N10 C38 1.349(16) . ?
C1 H1 0.9500 . ?
C1 C16 1.374(17) . ?
C1 C44 1.409(16) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C3 C61 1.44(2) . ?
C4 C10 1.476(17) . ?
C10 C18 1.431(18) . ?
C10 C60 1.400(18) . ?
C14 C39 1.43(2) . ?
C14 C71 1.469(18) . ?
C14 C78 1.440(18) . ?
C14 Rh1A 2.00(2) . ?
C16 C18 1.417(17) . ?
C16 C38 1.484(16) . ?
C18 C20 1.390(16) . ?
C19 C50 1.45(2) . ?
C19 C91 1.52(2) . ?
C19 C102 1.42(2) . ?
C19 Rh5 1.986(17) . ?
C20 C52 1.448(17) . ?
C20 C54 1.385(18) . ?
C26 C39 1.456(18) . ?
C26 C76 1.45(2) . ?
C26 C103 1.52(2) . ?
C26 Rh1A 1.97(2) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C27 C43 1.52(2) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C31 C41 1.52(2) . ?
C32 C54 1.475(17) . ?
C36 C52 1.468(17) . ?
C39 C97 1.41(2) . ?
C39 Rh1A 1.85(4) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 H44 0.9500 . ?
C44 C54 1.371(17) . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C47 C106 1.459(19) . ?
C50 C89 1.54(2) . ?
C50 C106 1.42(2) . ?
C50 Rh5 2.045(16) . ?
C52 C56 1.358(18) . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C53 C102 1.50(2) . ?
C56 H56 0.9500 . ?
C56 C60 1.389(17) . ?
C60 H60 0.9500 . ?
C61 C102 1.41(2) . ?
C61 C106 1.53(2) . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C72 C2 1.540(17) . ?
C75 C17 1.3900 . ?
C75 C108 1.3900 . ?
C75 C79 1.537(17) . ?
C17 H17 0.9500 . ?
C17 C65 1.3900 . ?
C65 H65 0.9500 . ?
C65 C2 1.3900 . ?
C2 C63 1.3900 . ?
C63 H63 0.9500 . ?
C63 C108 1.3900 . ?
C108 H108 0.9500 . ?
C76 C78 1.405(19) . ?
C76 C83 1.515(18) . ?
C76 Rh1A 2.29(3) . ?
C78 C81 1.48(2) . ?
C78 Rh1A 2.24(3) . ?
C81 H81A 0.9800 . ?
C81 H81B 0.9800 . ?
C81 H81C 0.9800 . ?
C83 H83A 0.9800 . ?
C83 H83B 0.9800 . ?
C83 H83C 0.9800 . ?
C89 H89A 0.9800 . ?
C89 H89B 0.9800 . ?
C89 H89C 0.9800 . ?
C91 H91A 0.9800 . ?
C91 H91B 0.9800 . ?
C91 H91C 0.9800 . ?
C97 H97A 0.9800 . ?
C97 H97B 0.9800 . ?
C97 H97C 0.9800 . ?
C102 Rh5 2.44(2) . ?
C103 H10A 0.9800 . ?
C103 H10B 0.9800 . ?
C103 H10C 0.9800 . ?
C106 Rh5 2.40(2) . ?
Rh3 O10 2.113(9) . ?
Rh3 O22 2.102(10) . ?
Rh3 N9 2.128(9) . ?
Rh3 C37 2.117(16) . ?
Rh3 C77 2.129(16) . ?
Rh3 C110 2.133(15) . ?
Rh3 C116 2.149(15) . ?
Rh3 C120 2.139(15) . ?
Rh4 O1 2.125(9) . ?
Rh4 O16 2.065(9) . ?
Rh4 N3 2.163(6) . ?
Rh4 C40 2.120(13) . ?
Rh4 C66 2.136(13) . ?
Rh4 C68 2.108(13) . ?
Rh4 C80 2.110(14) . ?
Rh4 C114 2.159(15) . ?
O1 C8 1.263(14) . ?
O5 C59 1.19(2) . ?
O10 C58 1.259(15) . ?
O16 N1 1.364(13) . ?
O19 C70 1.32(2) . ?
O20 C74 1.234(16) . ?
O22 N12 1.364(14) . ?
O24 C28 1.229(15) . ?
N1 C8 1.344(16) . ?
N1 C28 1.372(16) . ?
N3 C86 1.3900 . ?
N3 C104 1.3900 . ?
C86 H86 0.9500 . ?
C86 C67 1.3900 . ?
C67 H67 0.9500 . ?
C67 C49 1.3900 . ?
C49 C25 1.3900 . ?
C49 C109 1.577(17) . ?
C25 H25 0.9500 . ?
C25 C104 1.3900 . ?
C104 H104 0.9500 . ?
N5 H5 0.8800 . ?
N5 C7 1.51(3) . ?
N5 C59 1.39(3) . ?
N9 C92 1.3900 . ?
N9 C100 1.3900 . ?
C92 H92 0.9500 . ?
C92 C94 1.3900 . ?
C94 H94 0.9500 . ?
C94 C96 1.3900 . ?
C96 C98 1.3900 . ?
C96 C119 1.71(2) . ?
C98 H98 0.9500 . ?
C98 C100 1.3900 . ?
C100 H100 0.9500 . ?
N11 H11A 0.8800 . ?
N11 C70 1.20(2) . ?
N11 C111 1.45(2) . ?
N12 C58 1.368(16) . ?
N12 C74 1.444(17) . ?
C6 C12 1.413(17) . ?
C6 C24 1.429(16) . ?
C6 C30 1.414(17) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C7 C119 1.47(3) . ?
C8 C12 1.451(17) . ?
C12 C64 1.395(16) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C13 C110 1.47(2) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C15 C68 1.489(18) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C23 C116 1.47(2) . ?
C24 C28 1.490(18) . ?
C24 C48 1.376(17) . ?
C30 C42 1.373(17) . ?
C30 C62 1.396(17) . ?
C37 C77 1.45(2) . ?
C37 C113 1.57(2) . ?
C37 C120 1.42(2) . ?
C40 C68 1.449(18) . ?
C40 C114 1.443(19) . ?
C40 C118 1.517(17) . ?
C42 C58 1.479(18) . ?
C42 C82 1.372(17) . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C45 C114 1.47(2) . ?
C46 H46 0.9500 . ?
C46 C62 1.378(17) . ?
C46 C64 1.396(18) . ?
C48 H48 0.9500 . ?
C48 C82 1.374(18) . ?
C59 C99 1.49(2) . ?
C62 C74 1.435(19) . ?
C64 H64 0.9500 . ?
C66 C68 1.400(17) . ?
C66 C80 1.466(19) . ?
C66 C84 1.501(18) . ?
C70 C101 1.551(9) . ?
C77 C105 1.45(2) . ?
C77 C110 1.45(2) . ?
C80 C93 1.459(18) . ?
C80 C114 1.430(19) . ?
C82 H82 0.9500 . ?
C84 H84A 0.9800 . ?
C84 H84B 0.9800 . ?
C84 H84C 0.9800 . ?
C93 H93A 0.9800 . ?
C93 H93B 0.9800 . ?
C93 H93C 0.9800 . ?
C99 C95 1.3900 . ?
C99 C5 1.3900 . ?
C95 H95 0.9500 . ?
C95 C87 1.3900 . ?
C87 H87 0.9500 . ?
C87 C101 1.3900 . ?
C101 C90 1.3900 . ?
C90 H90 0.9500 . ?
C90 C5 1.3900 . ?
C5 H5A 0.9500 . ?
C105 H10D 0.9800 . ?
C105 H10E 0.9800 . ?
C105 H10F 0.9800 . ?
C107 H10G 0.9800 . ?
C107 H10H 0.9800 . ?
C107 H10I 0.9800 . ?
C107 C120 1.50(2) . ?
C109 H10J 0.9900 . ?
C109 H10K 0.9900 . ?
C109 C111 1.40(3) . ?
C110 C116 1.46(2) . ?
C111 H111 0.9500 . ?
C113 H11B 0.9800 . ?
C113 H11C 0.9800 . ?
C113 H11D 0.9800 . ?
C116 C120 1.42(2) . ?
C118 H11E 0.9800 . ?
C118 H11F 0.9800 . ?
C118 H11G 0.9800 . ?
C119 H11H 0.9900 . ?
C119 H11I 0.9900 . ?
S4 O29 1.419(19) . ?
S4 O30 1.355(13) . ?
S4 O31 1.203(18) . ?
S4 C9 1.73(2) . ?
F2 C9 1.38(3) . ?
F8 C9 1.45(3) . ?
F12 C9 1.20(2) . ?
S2 O3 1.421(18) . ?
S2 O25 1.614(18) . ?
S2 O26 1.390(14) . ?
S2 C57 1.81(3) . ?
F5 C57 1.46(3) . ?
F7 C57 1.35(3) . ?
F10 C57 1.31(3) . ?
S1 O11 1.394(14) . ?
S1 O17 1.448(13) . ?
S1 O23 1.378(14) . ?
S1 C21 1.797(17) . ?
F1 C21 1.336(19) . ?
F4 C21 1.31(2) . ?
F6 C21 1.30(2) . ?
S3 O7 1.474(17) . ?
S3 O15 1.26(2) . ?
S3 O27 1.447(18) . ?
S3 C117 1.668(16) . ?
F3 C117 1.343(17) . ?
F9 C117 1.364(17) . ?
F11 C117 1.334(17) . ?
O9 H9 0.8400 . ?
O9 C55 1.44(2) . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
O21 H21 0.8400 . ?
O21 C115 1.34(3) . ?
C115 H11J 0.9800 . ?
C115 H11K 0.9800 . ?
C115 H11L 0.9800 . ?
O28 H28 0.8400 . ?
O28 C51 1.38(2) . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?

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
O6 Rh1B C14 100.8(4) . . ?
O6 Rh1B C39 130.1(5) . . ?
O6 Rh1B C76 133.8(5) . . ?
O6 Rh1B C78 102.4(5) . . ?
O18 Rh1B O6 76.8(3) . . ?
O18 Rh1B C14 113.2(5) . . ?
O18 Rh1B C26 110.3(5) . . ?
O18 Rh1B C39 93.8(5) . . ?
O18 Rh1B C76 149.3(5) . . ?
O18 Rh1B C78 152.0(5) . . ?
N6 Rh1B O6 85.4(3) . . ?
N6 Rh1B O18 86.0(3) . . ?
N6 Rh1B C14 160.7(5) . . ?
N6 Rh1B C26 107.0(4) . . ?
N6 Rh1B C39 143.5(4) . . ?
N6 Rh1B C76 98.2(4) . . ?
N6 Rh1B C78 121.9(5) . . ?
C14 Rh1B C39 38.2(5) . . ?
C14 Rh1B C76 64.3(5) . . ?
C26 Rh1B O6 165.8(5) . . ?
C26 Rh1B C14 65.2(5) . . ?
C26 Rh1B C39 39.3(5) . . ?
C26 Rh1B C76 39.3(5) . . ?
C26 Rh1B C78 65.4(6) . . ?
C76 Rh1B C39 64.9(5) . . ?
C78 Rh1B C14 39.0(5) . . ?
C78 Rh1B C39 64.9(5) . . ?
C78 Rh1B C76 37.9(5) . . ?
O8 Rh2 N8 88.2(3) . . ?
O8 Rh2 C61 99.1(5) . . ?
O8 Rh2 C102 128.3(6) . . ?
O14 Rh2 O8 77.7(4) . . ?
O14 Rh2 N8 84.4(3) . . ?
O14 Rh2 C50 92.2(5) . . ?
O14 Rh2 C61 148.3(5) . . ?
O14 Rh2 C102 153.7(6) . . ?
N8 Rh2 C61 127.3(5) . . ?
N8 Rh2 C102 99.1(4) . . ?
C19 Rh2 O8 166.0(5) . . ?
C19 Rh2 O14 114.5(6) . . ?
C19 Rh2 N8 99.5(4) . . ?
C19 Rh2 C50 40.7(6) . . ?
C19 Rh2 C61 67.0(6) . . ?
C19 Rh2 C102 39.2(6) . . ?
C19 Rh2 C106 67.7(6) . . ?
C50 Rh2 O8 136.6(5) . . ?
C50 Rh2 N8 133.2(5) . . ?
C50 Rh2 C61 68.3(6) . . ?
C50 Rh2 C102 66.4(6) . . ?
C102 Rh2 C61 38.2(5) . . ?
C106 Rh2 O8 103.0(5) . . ?
C106 Rh2 O14 107.0(5) . . ?
C106 Rh2 N8 165.4(5) . . ?
C106 Rh2 C50 39.6(6) . . ?
C106 Rh2 C61 42.4(6) . . ?
C106 Rh2 C102 66.7(5) . . ?
C38 O6 Rh1B 111.5(8) . . ?
C38 O6 Rh1A 104.1(11) . . ?
C36 O8 Rh2 113.8(8) . . ?
C36 O8 Rh5 102.0(9) . . ?
N4 O14 Rh2 109.7(7) . . ?
N4 O14 Rh5 123.8(10) . . ?
N10 O18 Rh1B 111.9(7) . . ?
N10 O18 Rh1A 118.1(11) . . ?
C31 N2 H2 120.6 . . ?
C79 N2 H2 120.6 . . ?
C79 N2 C31 118.8(13) . . ?
O14 N4 C32 114.3(10) . . ?
C36 N4 O14 118.8(10) . . ?
C36 N4 C32 126.8(11) . . ?
C11 N6 Rh1B 121.0(4) . . ?
C11 N6 C22 120.0 . . ?
C11 N6 Rh1A 113.3(9) . . ?
C22 N6 Rh1B 119.0(4) . . ?
C22 N6 Rh1A 126.7(9) . . ?
N6 C11 H11 120.0 . . ?
C35 C11 N6 120.0 . . ?
C35 C11 H11 120.0 . . ?
C11 C35 H35 120.0 . . ?
C11 C35 C88 120.0 . . ?
C88 C35 H35 120.0 . . ?
C35 C88 C34 120.0 . . ?
C35 C88 C41 117.2(8) . . ?
C34 C88 C41 122.8(8) . . ?
C88 C34 H34 120.0 . . ?
C22 C34 C88 120.0 . . ?
C22 C34 H34 120.0 . . ?
N6 C22 H22 120.0 . . ?
C34 C22 N6 120.0 . . ?
C34 C22 H22 120.0 . . ?
C43 N7 H7 120.5 . . ?
C72 N7 H7 120.5 . . ?
C72 N7 C43 119.0(16) . . ?
C33 N8 Rh2 120.6(5) . . ?
C33 N8 C112 120.0 . . ?
C33 N8 Rh5 137.6(8) . . ?
C112 N8 Rh2 119.4(5) . . ?
C112 N8 Rh5 102.3(8) . . ?
N8 C33 H33 120.0 . . ?
N8 C33 C85 120.0 . . ?
C85 C33 H33 120.0 . . ?
C33 C85 H85 120.0 . . ?
C73 C85 C33 120.0 . . ?
C73 C85 H85 120.0 . . ?
C85 C73 C69 120.0 . . ?
C85 C73 C27 118.2(10) . . ?
C69 C73 C27 121.8(10) . . ?
C73 C69 H69 120.0 . . ?
C112 C69 C73 120.0 . . ?
C112 C69 H69 120.0 . . ?
N8 C112 H112 120.0 . . ?
C69 C112 N8 120.0 . . ?
C69 C112 H112 120.0 . . ?
O18 N10 C4 116.7(10) . . ?
O18 N10 C38 116.9(10) . . ?
C38 N10 C4 126.4(11) . . ?
C16 C1 H1 120.0 . . ?
C16 C1 C44 119.9(12) . . ?
C44 C1 H1 120.0 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C61 C3 H3A 109.5 . . ?
C61 C3 H3B 109.5 . . ?
C61 C3 H3C 109.5 . . ?
O12 C4 N10 120.7(11) . . ?
O12 C4 C10 124.0(12) . . ?
N10 C4 C10 115.4(11) . . ?
C18 C10 C4 120.8(12) . . ?
C60 C10 C4 119.9(12) . . ?
C60 C10 C18 119.3(11) . . ?
C39 C14 Rh1B 71.9(8) . . ?
C39 C14 C71 123.9(13) . . ?
C39 C14 C78 108.5(12) . . ?
C39 C14 Rh1A 62.6(13) . . ?
C71 C14 Rh1B 125.7(9) . . ?
C71 C14 Rh1A 123.9(11) . . ?
C78 C14 Rh1B 69.3(7) . . ?
C78 C14 C71 127.6(14) . . ?
C78 C14 Rh1A 79.6(14) . . ?
C1 C16 C18 119.8(11) . . ?
C1 C16 C38 121.1(11) . . ?
C18 C16 C38 119.2(11) . . ?
C16 C18 C10 119.8(11) . . ?
C20 C18 C10 120.8(12) . . ?
C20 C18 C16 119.4(12) . . ?
C50 C19 Rh2 71.0(8) . . ?
C50 C19 C91 122.5(16) . . ?
C50 C19 Rh5 71.1(8) . . ?
C91 C19 Rh2 125.9(10) . . ?
C91 C19 Rh5 109.8(12) . . ?
C102 C19 Rh2 73.3(9) . . ?
C102 C19 C50 108.4(13) . . ?
C102 C19 C91 128.9(15) . . ?
C102 C19 Rh5 90.0(11) . . ?
C18 C20 C52 117.3(12) . . ?
C54 C20 C18 120.2(12) . . ?
C54 C20 C52 122.5(11) . . ?
C39 C26 Rh1B 73.2(7) . . ?
C39 C26 C103 124.3(14) . . ?
C39 C26 Rh1A 63.3(13) . . ?
C76 C26 Rh1B 72.5(8) . . ?
C76 C26 C39 108.1(12) . . ?
C76 C26 C103 127.2(13) . . ?
C76 C26 Rh1A 82.7(15) . . ?
C103 C26 Rh1B 126.2(10) . . ?
C103 C26 Rh1A 124.9(12) . . ?
C73 C27 H27A 109.1 . . ?
C73 C27 H27B 109.1 . . ?
H27A C27 H27B 107.9 . . ?
C43 C27 C73 112.3(12) . . ?
C43 C27 H27A 109.1 . . ?
C43 C27 H27B 109.1 . . ?
N2 C31 H31A 109.8 . . ?
N2 C31 H31B 109.8 . . ?
N2 C31 C41 109.3(12) . . ?
H31A C31 H31B 108.3 . . ?
C41 C31 H31A 109.8 . . ?
C41 C31 H31B 109.8 . . ?
O4 C32 N4 120.2(11) . . ?
O4 C32 C54 124.9(13) . . ?
N4 C32 C54 114.8(11) . . ?
O8 C36 N4 119.7(11) . . ?
O8 C36 C52 122.3(12) . . ?
N4 C36 C52 118.0(12) . . ?
O6 C38 N10 122.8(11) . . ?
O6 C38 C16 119.0(11) . . ?
N10 C38 C16 118.2(11) . . ?
C14 C39 Rh1B 69.9(7) . . ?
C14 C39 C26 106.5(12) . . ?
C14 C39 Rh1A 73.9(11) . . ?
C26 C39 Rh1B 67.5(7) . . ?
C26 C39 Rh1A 71.9(10) . . ?
C97 C39 Rh1B 125.1(10) . . ?
C97 C39 C14 127.7(13) . . ?
C97 C39 C26 125.7(15) . . ?
C97 C39 Rh1A 117.1(15) . . ?
C88 C41 H41A 108.5 . . ?
C88 C41 H41B 108.5 . . ?
C31 C41 C88 115.1(12) . . ?
C31 C41 H41A 108.5 . . ?
C31 C41 H41B 108.5 . . ?
H41A C41 H41B 107.5 . . ?
N7 C43 C27 113.1(16) . . ?
N7 C43 H43A 109.0 . . ?
N7 C43 H43B 109.0 . . ?
C27 C43 H43A 109.0 . . ?
C27 C43 H43B 109.0 . . ?
H43A C43 H43B 107.8 . . ?
C1 C44 H44 120.0 . . ?
C54 C44 C1 120.1(12) . . ?
C54 C44 H44 120.0 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C106 C47 H47A 109.5 . . ?
C106 C47 H47B 109.5 . . ?
C106 C47 H47C 109.5 . . ?
C19 C50 Rh2 68.3(8) . . ?
C19 C50 C89 127.5(15) . . ?
C19 C50 Rh5 66.7(8) . . ?
C89 C50 Rh2 124.1(10) . . ?
C89 C50 Rh5 109.9(11) . . ?
C106 C50 Rh2 69.1(8) . . ?
C106 C50 C19 107.1(14) . . ?
C106 C50 C89 125.2(14) . . ?
C106 C50 Rh5 85.8(11) . . ?
C20 C52 C36 117.7(12) . . ?
C56 C52 C20 121.6(11) . . ?
C56 C52 C36 120.7(12) . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C102 C53 H53A 109.5 . . ?
C102 C53 H53B 109.5 . . ?
C102 C53 H53C 109.5 . . ?
C20 C54 C32 120.3(12) . . ?
C44 C54 C20 120.6(11) . . ?
C44 C54 C32 119.1(12) . . ?
C52 C56 H56 119.6 . . ?
C52 C56 C60 120.7(12) . . ?
C60 C56 H56 119.6 . . ?
C10 C60 H60 119.9 . . ?
C56 C60 C10 120.2(13) . . ?
C56 C60 H60 119.9 . . ?
C3 C61 Rh2 124.8(11) . . ?
C3 C61 C106 123.4(14) . . ?
C102 C61 Rh2 70.5(8) . . ?
C102 C61 C3 132.3(16) . . ?
C102 C61 C106 104.2(14) . . ?
C106 C61 Rh2 66.0(7) . . ?
C14 C71 H71A 109.5 . . ?
C14 C71 H71B 109.5 . . ?
C14 C71 H71C 109.5 . . ?
H71A C71 H71B 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
O2 C72 N7 122.7(16) . . ?
O2 C72 C2 122.3(14) . . ?
N7 C72 C2 115.0(15) . . ?
C17 C75 C108 120.0 . . ?
C17 C75 C79 116.5(9) . . ?
C108 C75 C79 123.4(9) . . ?
C75 C17 H17 120.0 . . ?
C75 C17 C65 120.0 . . ?
C65 C17 H17 120.0 . . ?
C17 C65 H65 120.0 . . ?
C17 C65 C2 120.0 . . ?
C2 C65 H65 120.0 . . ?
C65 C2 C72 125.6(9) . . ?
C63 C2 C72 114.4(9) . . ?
C63 C2 C65 120.0 . . ?
C2 C63 H63 120.0 . . ?
C2 C63 C108 120.0 . . ?
C108 C63 H63 120.0 . . ?
C75 C108 H108 120.0 . . ?
C63 C108 C75 120.0 . . ?
C63 C108 H108 120.0 . . ?
C26 C76 Rh1B 68.2(8) . . ?
C26 C76 C83 126.7(14) . . ?
C26 C76 Rh1A 58.4(12) . . ?
C78 C76 Rh1B 69.5(8) . . ?
C78 C76 C26 107.5(12) . . ?
C78 C76 C83 125.4(14) . . ?
C78 C76 Rh1A 70.1(9) . . ?
C83 C76 Rh1B 122.4(9) . . ?
C83 C76 Rh1A 131.8(13) . . ?
C14 C78 Rh1B 71.8(8) . . ?
C14 C78 C81 124.6(13) . . ?
C14 C78 Rh1A 61.3(12) . . ?
C76 C78 Rh1B 72.6(8) . . ?
C76 C78 C14 109.0(13) . . ?
C76 C78 C81 126.3(14) . . ?
C76 C78 Rh1A 73.8(10) . . ?
C81 C78 Rh1B 125.2(10) . . ?
C81 C78 Rh1A 134.1(13) . . ?
O32 C79 N2 123.2(16) . . ?
O32 C79 C75 120.6(14) . . ?
N2 C79 C75 116.0(13) . . ?
C78 C81 H81A 109.5 . . ?
C78 C81 H81B 109.5 . . ?
C78 C81 H81C 109.5 . . ?
H81A C81 H81B 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?
C76 C83 H83A 109.5 . . ?
C76 C83 H83B 109.5 . . ?
C76 C83 H83C 109.5 . . ?
H83A C83 H83B 109.5 . . ?
H83A C83 H83C 109.5 . . ?
H83B C83 H83C 109.5 . . ?
C50 C89 H89A 109.5 . . ?
C50 C89 H89B 109.5 . . ?
C50 C89 H89C 109.5 . . ?
H89A C89 H89B 109.5 . . ?
H89A C89 H89C 109.5 . . ?
H89B C89 H89C 109.5 . . ?
C19 C91 H91A 109.5 . . ?
C19 C91 H91B 109.5 . . ?
C19 C91 H91C 109.5 . . ?
H91A C91 H91B 109.5 . . ?
H91A C91 H91C 109.5 . . ?
H91B C91 H91C 109.5 . . ?
C39 C97 H97A 109.5 . . ?
C39 C97 H97B 109.5 . . ?
C39 C97 H97C 109.5 . . ?
H97A C97 H97B 109.5 . . ?
H97A C97 H97C 109.5 . . ?
H97B C97 H97C 109.5 . . ?
C19 C102 Rh2 67.5(8) . . ?
C19 C102 C53 123.8(15) . . ?
C19 C102 Rh5 54.5(9) . . ?
C53 C102 Rh2 127.3(10) . . ?
C53 C102 Rh5 126.4(10) . . ?
C61 C102 Rh2 71.4(8) . . ?
C61 C102 C19 111.5(14) . . ?
C61 C102 C53 124.7(17) . . ?
C61 C102 Rh5 83.8(10) . . ?
C26 C103 H10A 109.5 . . ?
C26 C103 H10B 109.5 . . ?
C26 C103 H10C 109.5 . . ?
H10A C103 H10B 109.5 . . ?
H10A C103 H10C 109.5 . . ?
H10B C103 H10C 109.5 . . ?
C47 C106 Rh2 129.2(11) . . ?
C47 C106 C61 125.1(14) . . ?
C47 C106 Rh5 130.2(11) . . ?
C50 C106 Rh2 71.3(8) . . ?
C50 C106 C47 125.9(15) . . ?
C50 C106 C61 108.4(12) . . ?
C50 C106 Rh5 58.1(8) . . ?
C61 C106 Rh2 71.6(7) . . ?
C61 C106 Rh5 82.7(9) . . ?
O10 Rh3 N9 86.5(4) . . ?
O10 Rh3 C37 112.8(5) . . ?
O10 Rh3 C77 93.1(5) . . ?
O10 Rh3 C110 111.5(5) . . ?
O10 Rh3 C116 151.0(5) . . ?
O10 Rh3 C120 151.3(5) . . ?
O22 Rh3 O10 77.4(4) . . ?
O22 Rh3 N9 84.2(4) . . ?
O22 Rh3 C37 167.4(5) . . ?
O22 Rh3 C77 135.7(6) . . ?
O22 Rh3 C110 103.7(5) . . ?
O22 Rh3 C116 102.6(5) . . ?
O22 Rh3 C120 131.3(5) . . ?
N9 Rh3 C77 138.9(6) . . ?
N9 Rh3 C110 161.4(6) . . ?
N9 Rh3 C116 122.4(5) . . ?
N9 Rh3 C120 95.7(5) . . ?
C37 Rh3 N9 103.3(6) . . ?
C37 Rh3 C77 39.9(6) . . ?
C37 Rh3 C110 66.2(6) . . ?
C37 Rh3 C116 64.9(6) . . ?
C37 Rh3 C120 38.9(6) . . ?
C77 Rh3 C110 39.8(6) . . ?
C77 Rh3 C116 66.3(6) . . ?
C77 Rh3 C120 66.7(6) . . ?
C110 Rh3 C116 39.8(6) . . ?
C110 Rh3 C120 66.4(6) . . ?
C120 Rh3 C116 38.5(6) . . ?
O1 Rh4 N3 85.6(3) . . ?
O1 Rh4 C66 125.6(4) . . ?
O1 Rh4 C114 138.5(4) . . ?
O16 Rh4 O1 77.5(3) . . ?
O16 Rh4 N3 83.7(4) . . ?
O16 Rh4 C40 111.6(4) . . ?
O16 Rh4 C66 156.9(5) . . ?
O16 Rh4 C68 150.3(4) . . ?
O16 Rh4 C80 116.7(5) . . ?
O16 Rh4 C114 97.1(5) . . ?
C40 Rh4 O1 104.0(4) . . ?
C40 Rh4 N3 163.2(4) . . ?
C40 Rh4 C66 66.3(5) . . ?
C40 Rh4 C114 39.4(5) . . ?
C66 Rh4 N3 96.9(4) . . ?
C66 Rh4 C114 66.2(5) . . ?
C68 Rh4 O1 98.6(4) . . ?
C68 Rh4 N3 125.7(4) . . ?
C68 Rh4 C40 40.1(5) . . ?
C68 Rh4 C66 38.5(5) . . ?
C68 Rh4 C80 66.4(5) . . ?
C68 Rh4 C114 66.2(5) . . ?
C80 Rh4 O1 164.7(4) . . ?
C80 Rh4 N3 101.0(4) . . ?
C80 Rh4 C40 66.5(5) . . ?
C80 Rh4 C66 40.4(5) . . ?
C80 Rh4 C114 39.1(5) . . ?
C114 Rh4 N3 135.2(4) . . ?
C8 O1 Rh4 112.0(8) . . ?
C58 O10 Rh3 113.1(8) . . ?
N1 O16 Rh4 110.8(7) . . ?
N12 O22 Rh3 109.2(7) . . ?
O16 N1 C28 115.9(10) . . ?
C8 N1 O16 118.2(11) . . ?
C8 N1 C28 125.9(12) . . ?
C86 N3 Rh4 120.8(5) . . ?
C86 N3 C104 120.0 . . ?
C104 N3 Rh4 117.9(5) . . ?
N3 C86 H86 120.0 . . ?
N3 C86 C67 120.0 . . ?
C67 C86 H86 120.0 . . ?
C86 C67 H67 120.0 . . ?
C49 C67 C86 120.0 . . ?
C49 C67 H67 120.0 . . ?
C67 C49 C25 120.0 . . ?
C67 C49 C109 116.2(10) . . ?
C25 C49 C109 123.6(10) . . ?
C49 C25 H25 120.0 . . ?
C104 C25 C49 120.0 . . ?
C104 C25 H25 120.0 . . ?
N3 C104 H104 120.0 . . ?
C25 C104 N3 120.0 . . ?
C25 C104 H104 120.0 . . ?
C7 N5 H5 121.5 . . ?
C59 N5 H5 121.5 . . ?
C59 N5 C7 117(2) . . ?
C92 N9 Rh3 117.0(7) . . ?
C92 N9 C100 120.0 . . ?
C100 N9 Rh3 121.5(7) . . ?
N9 C92 H92 120.0 . . ?
C94 C92 N9 120.0 . . ?
C94 C92 H92 120.0 . . ?
C92 C94 H94 120.0 . . ?
C96 C94 C92 120.0 . . ?
C96 C94 H94 120.0 . . ?
C94 C96 C98 120.0 . . ?
C94 C96 C119 122.5(14) . . ?
C98 C96 C119 116.2(14) . . ?
C96 C98 H98 120.0 . . ?
C100 C98 C96 120.0 . . ?
C100 C98 H98 120.0 . . ?
N9 C100 H100 120.0 . . ?
C98 C100 N9 120.0 . . ?
C98 C100 H100 120.0 . . ?
C70 N11 H11A 117.4 . . ?
C70 N11 C111 125.2(18) . . ?
C111 N11 H11A 117.4 . . ?
O22 N12 C58 118.0(11) . . ?
O22 N12 C74 118.7(10) . . ?
C58 N12 C74 123.3(11) . . ?
C12 C6 C24 119.8(12) . . ?
C12 C6 C30 121.9(11) . . ?
C30 C6 C24 118.4(11) . . ?
N5 C7 H7A 108.9 . . ?
N5 C7 H7B 108.9 . . ?
H7A C7 H7B 107.7 . . ?
C119 C7 N5 114(2) . . ?
C119 C7 H7A 108.9 . . ?
C119 C7 H7B 108.9 . . ?
O1 C8 N1 120.0(12) . . ?
O1 C8 C12 121.9(11) . . ?
N1 C8 C12 118.0(11) . . ?
C6 C12 C8 120.1(11) . . ?
C64 C12 C6 118.2(12) . . ?
C64 C12 C8 121.6(12) . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C110 C13 H13A 109.5 . . ?
C110 C13 H13B 109.5 . . ?
C110 C13 H13C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C68 C15 H15A 109.5 . . ?
C68 C15 H15B 109.5 . . ?
C68 C15 H15C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C116 C23 H23A 109.5 . . ?
C116 C23 H23B 109.5 . . ?
C116 C23 H23C 109.5 . . ?
C6 C24 C28 118.5(11) . . ?
C48 C24 C6 119.5(12) . . ?
C48 C24 C28 122.0(11) . . ?
O24 C28 N1 120.2(13) . . ?
O24 C28 C24 122.9(12) . . ?
N1 C28 C24 116.8(11) . . ?
C42 C30 C6 119.2(11) . . ?
C42 C30 C62 123.7(12) . . ?
C62 C30 C6 117.1(12) . . ?
C77 C37 Rh3 70.5(9) . . ?
C77 C37 C113 125.2(16) . . ?
C113 C37 Rh3 126.7(12) . . ?
C120 C37 Rh3 71.4(9) . . ?
C120 C37 C77 109.8(15) . . ?
C120 C37 C113 124.9(16) . . ?
C68 C40 Rh4 69.5(7) . . ?
C68 C40 C118 126.6(12) . . ?
C114 C40 Rh4 71.7(8) . . ?
C114 C40 C68 107.4(11) . . ?
C114 C40 C118 125.5(12) . . ?
C118 C40 Rh4 130.4(10) . . ?
C30 C42 C58 117.8(11) . . ?
C82 C42 C30 122.1(13) . . ?
C82 C42 C58 120.1(12) . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C114 C45 H45A 109.5 . . ?
C114 C45 H45B 109.5 . . ?
C114 C45 H45C 109.5 . . ?
C62 C46 H46 120.1 . . ?
C62 C46 C64 119.9(12) . . ?
C64 C46 H46 120.1 . . ?
C24 C48 H48 119.4 . . ?
C82 C48 C24 121.2(12) . . ?
C82 C48 H48 119.4 . . ?
O10 C58 N12 119.2(12) . . ?
O10 C58 C42 122.8(12) . . ?
N12 C58 C42 117.9(12) . . ?
O5 C59 N5 120(2) . . ?
O5 C59 C99 124(2) . . ?
N5 C59 C99 116(2) . . ?
C30 C62 C74 119.4(12) . . ?
C46 C62 C30 122.2(12) . . ?
C46 C62 C74 118.3(12) . . ?
C12 C64 C46 120.7(12) . . ?
C12 C64 H64 119.6 . . ?
C46 C64 H64 119.6 . . ?
C68 C66 Rh4 69.7(8) . . ?
C68 C66 C80 107.3(12) . . ?
C68 C66 C84 127.6(13) . . ?
C80 C66 Rh4 68.9(8) . . ?
C80 C66 C84 125.1(12) . . ?
C84 C66 Rh4 126.3(10) . . ?
C15 C68 Rh4 122.9(10) . . ?
C40 C68 Rh4 70.4(8) . . ?
C40 C68 C15 122.8(11) . . ?
C66 C68 Rh4 71.8(8) . . ?
C66 C68 C15 127.7(12) . . ?
C66 C68 C40 109.4(12) . . ?
O19 C70 C101 118.6(15) . . ?
N11 C70 O19 119.1(14) . . ?
N11 C70 C101 122.0(17) . . ?
O20 C74 N12 115.8(12) . . ?
O20 C74 C62 127.6(13) . . ?
C62 C74 N12 116.5(12) . . ?
C37 C77 Rh3 69.6(9) . . ?
C37 C77 C105 126.4(17) . . ?
C37 C77 C110 106.3(15) . . ?
C105 C77 Rh3 123.6(12) . . ?
C105 C77 C110 127.2(17) . . ?
C110 C77 Rh3 70.3(9) . . ?
C66 C80 Rh4 70.8(8) . . ?
C93 C80 Rh4 125.1(11) . . ?
C93 C80 C66 125.7(13) . . ?
C114 C80 Rh4 72.3(8) . . ?
C114 C80 C66 108.2(12) . . ?
C114 C80 C93 126.1(14) . . ?
C42 C82 C48 119.5(12) . . ?
C42 C82 H82 120.2 . . ?
C48 C82 H82 120.2 . . ?
C66 C84 H84A 109.5 . . ?
C66 C84 H84B 109.5 . . ?
C66 C84 H84C 109.5 . . ?
H84A C84 H84B 109.5 . . ?
H84A C84 H84C 109.5 . . ?
H84B C84 H84C 109.5 . . ?
C80 C93 H93A 109.5 . . ?
C80 C93 H93B 109.5 . . ?
C80 C93 H93C 109.5 . . ?
H93A C93 H93B 109.5 . . ?
H93A C93 H93C 109.5 . . ?
H93B C93 H93C 109.5 . . ?
C95 C99 C59 126.5(13) . . ?
C95 C99 C5 120.0 . . ?
C5 C99 C59 113.4(12) . . ?
C99 C95 H95 120.0 . . ?
C99 C95 C87 120.0 . . ?
C87 C95 H95 120.0 . . ?
C95 C87 H87 120.0 . . ?
C101 C87 C95 120.0 . . ?
C101 C87 H87 120.0 . . ?
C87 C101 C70 122.2(11) . . ?
C90 C101 C70 117.6(11) . . ?
C90 C101 C87 120.0 . . ?
C101 C90 H90 120.0 . . ?
C101 C90 C5 120.0 . . ?
C5 C90 H90 120.0 . . ?
C99 C5 H5A 120.0 . . ?
C90 C5 C99 120.0 . . ?
C90 C5 H5A 120.0 . . ?
C77 C105 H10D 109.5 . . ?
C77 C105 H10E 109.5 . . ?
C77 C105 H10F 109.5 . . ?
H10D C105 H10E 109.5 . . ?
H10D C105 H10F 109.5 . . ?
H10E C105 H10F 109.5 . . ?
H10G C107 H10H 109.5 . . ?
H10G C107 H10I 109.5 . . ?
H10H C107 H10I 109.5 . . ?
C120 C107 H10G 109.5 . . ?
C120 C107 H10H 109.5 . . ?
C120 C107 H10I 109.5 . . ?
C49 C109 H10J 109.2 . . ?
C49 C109 H10K 109.2 . . ?
H10J C109 H10K 107.9 . . ?
C111 C109 C49 111.9(16) . . ?
C111 C109 H10J 109.2 . . ?
C111 C109 H10K 109.2 . . ?
C13 C110 Rh3 125.9(12) . . ?
C77 C110 Rh3 69.9(9) . . ?
C77 C110 C13 123.8(16) . . ?
C77 C110 C116 107.1(14) . . ?
C116 C110 Rh3 70.7(8) . . ?
C116 C110 C13 129.0(16) . . ?
N11 C111 H111 121.2 . . ?
C109 C111 N11 117.6(18) . . ?
C109 C111 H111 121.2 . . ?
C37 C113 H11B 109.5 . . ?
C37 C113 H11C 109.5 . . ?
C37 C113 H11D 109.5 . . ?
H11B C113 H11C 109.5 . . ?
H11B C113 H11D 109.5 . . ?
H11C C113 H11D 109.5 . . ?
C40 C114 Rh4 68.9(8) . . ?
C40 C114 C45 125.5(12) . . ?
C45 C114 Rh4 126.6(11) . . ?
C80 C114 Rh4 68.6(8) . . ?
C80 C114 C40 107.6(12) . . ?
C80 C114 C45 126.9(13) . . ?
C23 C116 Rh3 124.6(11) . . ?
C110 C116 Rh3 69.5(8) . . ?
C110 C116 C23 124.1(15) . . ?
C120 C116 Rh3 70.4(8) . . ?
C120 C116 C23 126.9(16) . . ?
C120 C116 C110 109.0(14) . . ?
C40 C118 H11E 109.5 . . ?
C40 C118 H11F 109.5 . . ?
C40 C118 H11G 109.5 . . ?
H11E C118 H11F 109.5 . . ?
H11E C118 H11G 109.5 . . ?
H11F C118 H11G 109.5 . . ?
C96 C119 H11H 111.0 . . ?
C96 C119 H11I 111.0 . . ?
C7 C119 C96 103.8(19) . . ?
C7 C119 H11H 111.0 . . ?
C7 C119 H11I 111.0 . . ?
H11H C119 H11I 109.0 . . ?
C37 C120 Rh3 69.7(9) . . ?
C37 C120 C107 127.4(15) . . ?
C107 C120 Rh3 124.3(11) . . ?
C116 C120 Rh3 71.1(9) . . ?
C116 C120 C37 107.7(15) . . ?
C116 C120 C107 124.9(15) . . ?
O29 S4 C9 95.4(14) . . ?
O30 S4 O29 115.8(11) . . ?
O30 S4 C9 112.0(11) . . ?
O31 S4 O29 102.5(15) . . ?
O31 S4 O30 125.4(14) . . ?
O31 S4 C9 100.8(13) . . ?
F2 C9 S4 112.3(17) . . ?
F2 C9 F8 82.4(17) . . ?
F8 C9 S4 104.9(19) . . ?
F12 C9 S4 130(2) . . ?
F12 C9 F2 114(2) . . ?
F12 C9 F8 100(2) . . ?
O3 S2 O25 125.4(12) . . ?
O3 S2 C57 105.3(13) . . ?
O25 S2 C57 94.4(13) . . ?
O26 S2 O3 113.9(10) . . ?
O26 S2 O25 109.3(10) . . ?
O26 S2 C57 104.4(12) . . ?
F5 C57 S2 104.9(18) . . ?
F7 C57 S2 107(2) . . ?
F7 C57 F5 110(2) . . ?
F10 C57 S2 119(2) . . ?
F10 C57 F5 103(2) . . ?
F10 C57 F7 112(2) . . ?
O11 S1 O17 110.9(10) . . ?
O11 S1 C21 102.4(9) . . ?
O17 S1 C21 103.0(8) . . ?
O23 S1 O11 120.4(12) . . ?
O23 S1 O17 115.0(11) . . ?
O23 S1 C21 102.2(9) . . ?
F1 C21 S1 111.2(11) . . ?
F4 C21 S1 112.9(13) . . ?
F4 C21 F1 106.1(16) . . ?
F6 C21 S1 113.5(13) . . ?
F6 C21 F1 105.7(15) . . ?
F6 C21 F4 106.9(15) . . ?
O7 S3 C117 101.0(12) . . ?
O15 S3 O7 113.4(15) . . ?
O15 S3 O27 122.3(15) . . ?
O15 S3 C117 103.1(14) . . ?
O27 S3 O7 113.8(12) . . ?
O27 S3 C117 98.6(13) . . ?
F3 C117 S3 117.5(16) . . ?
F3 C117 F9 100.0(17) . . ?
F9 C117 S3 112.6(15) . . ?
F11 C117 S3 121.6(19) . . ?
F11 C117 F3 103.5(18) . . ?
F11 C117 F9 98.0(19) . . ?
C55 O9 H9 109.5 . . ?
O9 C55 H55A 109.5 . . ?
O9 C55 H55B 109.5 . . ?
O9 C55 H55C 109.5 . . ?
H55A C55 H55B 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C115 O21 H21 109.5 . . ?
O21 C115 H11J 109.5 . . ?
O21 C115 H11K 109.5 . . ?
O21 C115 H11L 109.5 . . ?
H11J C115 H11K 109.5 . . ?
H11J C115 H11L 109.5 . . ?
H11K C115 H11L 109.5 . . ?
C51 O28 H28 109.5 . . ?
O28 C51 H51A 109.5 . . ?
O28 C51 H51B 109.5 . . ?
O28 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
O14 Rh5 O8 74.8(6) . . ?
O14 Rh5 N8 99.7(7) . . ?
O14 Rh5 C19 141.1(11) . . ?
O14 Rh5 C50 106.4(7) . . ?
O14 Rh5 C102 164.8(9) . . ?
O14 Rh5 C106 107.5(7) . . ?
N8 Rh5 O8 81.7(5) . . ?
N8 Rh5 C50 150.1(7) . . ?
N8 Rh5 C102 94.4(6) . . ?
N8 Rh5 C106 144.5(11) . . ?
C19 Rh5 O8 135.1(12) . . ?
C19 Rh5 N8 107.9(7) . . ?
C19 Rh5 C50 42.2(6) . . ?
C19 Rh5 C102 35.5(7) . . ?
C19 Rh5 C106 62.7(7) . . ?
C50 Rh5 O8 118.8(10) . . ?
C50 Rh5 C102 61.8(7) . . ?
C50 Rh5 C106 36.1(6) . . ?
C102 Rh5 O8 101.8(10) . . ?
C106 Rh5 O8 83.9(8) . . ?
C106 Rh5 C102 57.3(6) . . ?
O6 Rh1A N6 73.9(11) . . ?
O18 Rh1A O6 75.6(7) . . ?
O18 Rh1A N6 81.8(8) . . ?
O18 Rh1A C14 132(2) . . ?
O18 Rh1A C26 126.8(19) . . ?
O18 Rh1A C76 159.0(10) . . ?
O18 Rh1A C78 164.8(10) . . ?
C14 Rh1A O6 99.3(10) . . ?
C14 Rh1A N6 144(2) . . ?
C14 Rh1A C76 65.0(7) . . ?
C14 Rh1A C78 39.2(6) . . ?
C26 Rh1A O6 157(2) . . ?
C26 Rh1A N6 100.6(11) . . ?
C26 Rh1A C14 71.4(9) . . ?
C26 Rh1A C76 38.9(7) . . ?
C26 Rh1A C78 66.0(8) . . ?
C39 Rh1A O6 138.8(11) . . ?
C39 Rh1A O18 113(2) . . ?
C39 Rh1A N6 145.1(10) . . ?
C39 Rh1A C14 43.5(8) . . ?
C39 Rh1A C26 44.8(8) . . ?
C39 Rh1A C76 68.3(8) . . ?
C39 Rh1A C78 68.7(8) . . ?
C76 Rh1A O6 117.7(18) . . ?
C76 Rh1A N6 86.6(13) . . ?
C78 Rh1A O6 93.0(13) . . ?
C78 Rh1A N6 105.0(17) . . ?
C78 Rh1A C76 36.1(6) . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
O9 H9 O19 0.84 2.08 2.77(2) 139.5 . yes
O21 H21 O18 0.84 1.98 2.77(2) 156.7 . yes
O28 H28 O14 0.84 2.15 2.864(15) 142.8 . yes

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rh1B O6 C38 N10 2.0(14) . . . . ?
Rh1B O6 C38 C16 -177.3(8) . . . . ?
Rh1B O18 N10 C4 173.5(8) . . . . ?
Rh1B O18 N10 C38 -3.5(12) . . . . ?
Rh1B N6 C11 C35 178.5(6) . . . . ?
Rh1B N6 C22 C34 -178.5(6) . . . . ?
Rh1B C14 C39 C26 -57.7(9) . . . . ?
Rh1B C14 C39 C97 119.4(15) . . . . ?
Rh1B C14 C78 C76 63.5(9) . . . . ?
Rh1B C14 C78 C81 -120.6(13) . . . . ?
Rh1B C26 C39 C14 59.3(9) . . . . ?
Rh1B C26 C39 C97 -118.0(14) . . . . ?
Rh1B C26 C76 C78 -58.5(9) . . . . ?
Rh1B C26 C76 C83 114.9(14) . . . . ?
Rh1B C76 C78 C14 -62.9(9) . . . . ?
Rh1B C76 C78 C81 121.3(14) . . . . ?
Rh2 O8 C36 N4 5.2(14) . . . . ?
Rh2 O8 C36 C52 -176.0(8) . . . . ?
Rh2 O14 N4 C32 179.7(7) . . . . ?
Rh2 O14 N4 C36 3.0(12) . . . . ?
Rh2 N8 C33 C85 179.0(6) . . . . ?
Rh2 N8 C112 C69 -179.0(6) . . . . ?
Rh2 C19 C50 C89 -117.1(15) . . . . ?
Rh2 C19 C50 C106 58.4(10) . . . . ?
Rh2 C19 C102 C53 120.8(14) . . . . ?
Rh2 C19 C102 C61 -57.6(10) . . . . ?
Rh2 C50 C106 C47 -125.4(15) . . . . ?
Rh2 C50 C106 C61 62.4(9) . . . . ?
Rh2 C61 C102 C19 55.4(10) . . . . ?
Rh2 C61 C102 C53 -123.0(15) . . . . ?
Rh2 C61 C106 C47 125.5(14) . . . . ?
Rh2 C61 C106 C50 -62.2(10) . . . . ?
O2 C72 C2 C65 173.4(12) . . . . ?
O2 C72 C2 C63 -9.4(17) . . . . ?
O4 C32 C54 C20 177.2(12) . . . . ?
O4 C32 C54 C44 -3.9(19) . . . . ?
O8 C36 C52 C20 -178.1(11) . . . . ?
O8 C36 C52 C56 0.2(18) . . . . ?
O12 C4 C10 C18 174.9(11) . . . . ?
O12 C4 C10 C60 -2.6(19) . . . . ?
O14 N4 C32 O4 6.6(16) . . . . ?
O14 N4 C32 C54 -175.8(9) . . . . ?
O14 N4 C36 O8 -5.7(16) . . . . ?
O14 N4 C36 C52 175.4(9) . . . . ?
O18 N10 C4 O12 4.7(17) . . . . ?
O18 N10 C4 C10 -176.1(10) . . . . ?
O18 N10 C38 O6 1.0(17) . . . . ?
O18 N10 C38 C16 -179.7(9) . . . . ?
N2 C31 C41 C88 69.3(16) . . . . ?
N4 O14 Rh5 O8 -8.0(9) . . . . ?
N4 O14 Rh5 N8 70.6(13) . . . . ?
N4 O14 Rh5 C19 -154.3(16) . . . . ?
N4 O14 Rh5 C50 -124.2(11) . . . . ?
N4 O14 Rh5 C102 -87(4) . . . . ?
N4 O14 Rh5 C106 -86.4(10) . . . . ?
N4 C32 C54 C20 -0.3(16) . . . . ?
N4 C32 C54 C44 178.6(10) . . . . ?
N4 C36 C52 C20 0.7(16) . . . . ?
N4 C36 C52 C56 179.0(11) . . . . ?
N6 C11 C35 C88 0.0 . . . . ?
C11 N6 C22 C34 0.0 . . . . ?
C11 C35 C88 C34 0.0 . . . . ?
C11 C35 C88 C41 -178.3(9) . . . . ?
C35 C88 C34 C22 0.0 . . . . ?
C35 C88 C41 C31 -139.8(11) . . . . ?
C88 C34 C22 N6 0.0 . . . . ?
C34 C88 C41 C31 41.9(15) . . . . ?
C22 N6 C11 C35 0.0 . . . . ?
N7 C72 C2 C65 -5.6(15) . . . . ?
N7 C72 C2 C63 171.7(9) . . . . ?
N8 C33 C85 C73 0.0 . . . . ?
C33 N8 C112 C69 0.0 . . . . ?
C33 C85 C73 C69 0.0 . . . . ?
C33 C85 C73 C27 178.5(10) . . . . ?
C85 C73 C69 C112 0.0 . . . . ?
C85 C73 C27 C43 57.7(17) . . . . ?
C73 C69 C112 N8 0.0 . . . . ?
C73 C27 C43 N7 71.0(19) . . . . ?
C69 C73 C27 C43 -123.8(14) . . . . ?
C112 N8 C33 C85 0.0 . . . . ?
N10 C4 C10 C18 -4.3(16) . . . . ?
N10 C4 C10 C60 178.3(10) . . . . ?
C1 C16 C18 C10 -179.0(11) . . . . ?
C1 C16 C18 C20 2.9(17) . . . . ?
C1 C16 C38 O6 -5.2(17) . . . . ?
C1 C16 C38 N10 175.4(11) . . . . ?
C1 C44 C54 C20 0.3(17) . . . . ?
C1 C44 C54 C32 -178.6(10) . . . . ?
C3 C61 C102 Rh2 119.7(18) . . . . ?
C3 C61 C102 C19 175.1(16) . . . . ?
C3 C61 C102 C53 -3(3) . . . . ?
C3 C61 C102 Rh5 127.2(17) . . . . ?
C3 C61 C106 Rh2 -117.0(15) . . . . ?
C3 C61 C106 C47 9(2) . . . . ?
C3 C61 C106 C50 -179.1(14) . . . . ?
C3 C61 C106 Rh5 -126.3(14) . . . . ?
C4 N10 C38 O6 -175.6(11) . . . . ?
C4 N10 C38 C16 3.7(17) . . . . ?
C4 C10 C18 C16 3.6(17) . . . . ?
C4 C10 C18 C20 -178.4(11) . . . . ?
C4 C10 C60 C56 178.3(11) . . . . ?
C10 C18 C20 C52 -1.0(16) . . . . ?
C10 C18 C20 C54 -179.1(10) . . . . ?
C14 C39 Rh1A O6 32(3) . . . . ?
C14 C39 Rh1A O18 126.7(12) . . . . ?
C14 C39 Rh1A N6 -123(3) . . . . ?
C14 C39 Rh1A C26 -113.9(13) . . . . ?
C14 C39 Rh1A C76 -75.9(10) . . . . ?
C14 C39 Rh1A C78 -37.0(8) . . . . ?
C16 C1 C44 C54 1.6(17) . . . . ?
C16 C18 C20 C52 177.1(10) . . . . ?
C16 C18 C20 C54 -1.1(17) . . . . ?
C18 C10 C60 C56 0.8(17) . . . . ?
C18 C16 C38 O6 175.0(10) . . . . ?
C18 C16 C38 N10 -4.4(16) . . . . ?
C18 C20 C52 C36 -178.6(10) . . . . ?
C18 C20 C52 C56 3.1(16) . . . . ?
C18 C20 C54 C32 178.4(10) . . . . ?
C18 C20 C54 C44 -0.5(17) . . . . ?
C19 C50 C106 Rh2 -57.9(9) . . . . ?
C19 C50 C106 C47 176.8(13) . . . . ?
C19 C50 C106 C61 4.5(15) . . . . ?
C19 C50 C106 Rh5 -64.1(9) . . . . ?
C20 C52 C56 C60 -3.3(17) . . . . ?
C26 C39 Rh1A O6 146(3) . . . . ?
C26 C39 Rh1A O18 -119.4(12) . . . . ?
C26 C39 Rh1A N6 -9(3) . . . . ?
C26 C39 Rh1A C14 113.9(13) . . . . ?
C26 C39 Rh1A C76 38.0(8) . . . . ?
C26 C39 Rh1A C78 76.9(10) . . . . ?
C26 C76 C78 Rh1B 57.7(9) . . . . ?
C26 C76 C78 C14 -5.3(15) . . . . ?
C26 C76 C78 C81 178.9(13) . . . . ?
C26 C76 C78 Rh1A 45.7(15) . . . . ?
C27 C73 C69 C112 -178.4(10) . . . . ?
C31 N2 C79 O32 -6(2) . . . . ?
C31 N2 C79 C75 179.3(11) . . . . ?
C32 N4 C36 O8 178.1(11) . . . . ?
C32 N4 C36 C52 -0.8(17) . . . . ?
C36 N4 C32 O4 -177.0(11) . . . . ?
C36 N4 C32 C54 0.6(17) . . . . ?
C36 C52 C56 C60 178.5(11) . . . . ?
C38 N10 C4 O12 -178.7(11) . . . . ?
C38 N10 C4 C10 0.5(17) . . . . ?
C38 C16 C18 C10 0.8(16) . . . . ?
C38 C16 C18 C20 -177.3(10) . . . . ?
C39 C14 C78 Rh1B -61.5(9) . . . . ?
C39 C14 C78 C76 2.0(15) . . . . ?
C39 C14 C78 C81 177.9(12) . . . . ?
C39 C14 C78 Rh1A -56.3(11) . . . . ?
C39 C26 C76 Rh1B 65.1(9) . . . . ?
C39 C26 C76 C78 6.6(15) . . . . ?
C39 C26 C76 C83 179.9(13) . . . . ?
C39 C26 C76 Rh1A 58.8(11) . . . . ?
C41 C88 C34 C22 178.2(10) . . . . ?
C43 N7 C72 O2 12(2) . . . . ?
C43 N7 C72 C2 -168.9(11) . . . . ?
C44 C1 C16 C18 -3.1(17) . . . . ?
C44 C1 C16 C38 177.1(10) . . . . ?
C50 C19 C102 Rh2 62.7(10) . . . . ?
C50 C19 C102 C53 -176.4(13) . . . . ?
C50 C19 C102 C61 5.1(16) . . . . ?
C50 C19 C102 Rh5 70.0(10) . . . . ?
C52 C20 C54 C32 0.3(17) . . . . ?
C52 C20 C54 C44 -178.6(10) . . . . ?
C52 C56 C60 C10 1.3(18) . . . . ?
C54 C20 C52 C36 -0.5(16) . . . . ?
C54 C20 C52 C56 -178.8(11) . . . . ?
C60 C10 C18 C16 -178.9(11) . . . . ?
C60 C10 C18 C20 -0.9(17) . . . . ?
C71 C14 C39 Rh1B -121.4(13) . . . . ?
C71 C14 C39 C26 -179.1(12) . . . . ?
C71 C14 C39 C97 -2(2) . . . . ?
C71 C14 C39 Rh1A -114.1(16) . . . . ?
C71 C14 C78 Rh1B 119.7(13) . . . . ?
C71 C14 C78 C76 -176.8(13) . . . . ?
C71 C14 C78 C81 -1(2) . . . . ?
C71 C14 C78 Rh1A 125.0(16) . . . . ?
C72 N7 C43 C27 -147.6(13) . . . . ?
C72 C2 C63 C108 -177.4(8) . . . . ?
C75 C17 C65 C2 0.0 . . . . ?
C17 C75 C108 C63 0.0 . . . . ?
C17 C75 C79 O32 29.9(18) . . . . ?
C17 C75 C79 N2 -155.0(10) . . . . ?
C17 C65 C2 C72 177.1(9) . . . . ?
C17 C65 C2 C63 0.0 . . . . ?
C65 C2 C63 C108 0.0 . . . . ?
C2 C63 C108 C75 0.0 . . . . ?
C108 C75 C17 C65 0.0 . . . . ?
C108 C75 C79 O32 -148.0(13) . . . . ?
C108 C75 C79 N2 27.1(16) . . . . ?
C76 C26 C39 Rh1B -64.6(9) . . . . ?
C76 C26 C39 C14 -5.3(14) . . . . ?
C76 C26 C39 C97 177.4(13) . . . . ?
C76 C26 C39 Rh1A -71.7(14) . . . . ?
C78 C14 C39 Rh1B 59.8(9) . . . . ?
C78 C14 C39 C26 2.1(14) . . . . ?
C78 C14 C39 C97 179.3(13) . . . . ?
C78 C14 C39 Rh1A 67.1(13) . . . . ?
C79 N2 C31 C41 -172.9(13) . . . . ?
C79 C75 C17 C65 -178.0(9) . . . . ?
C79 C75 C108 C63 177.8(9) . . . . ?
C83 C76 C78 Rh1B -115.8(14) . . . . ?
C83 C76 C78 C14 -178.7(12) . . . . ?
C83 C76 C78 C81 5(2) . . . . ?
C83 C76 C78 Rh1A -127.7(18) . . . . ?
C89 C50 C106 Rh2 117.7(14) . . . . ?
C89 C50 C106 C47 -8(2) . . . . ?
C89 C50 C106 C61 -179.9(13) . . . . ?
C89 C50 C106 Rh5 111.5(15) . . . . ?
C91 C19 C50 Rh2 121.1(14) . . . . ?
C91 C19 C50 C89 4(2) . . . . ?
C91 C19 C50 C106 179.5(13) . . . . ?
C91 C19 C50 Rh5 101.9(15) . . . . ?
C91 C19 C102 Rh2 -123.1(15) . . . . ?
C91 C19 C102 C53 -2(2) . . . . ?
C91 C19 C102 C61 179.3(14) . . . . ?
C91 C19 C102 Rh5 -115.8(17) . . . . ?
C97 C39 Rh1A O6 -93(3) . . . . ?
C97 C39 Rh1A O18 2.2(17) . . . . ?
C97 C39 Rh1A N6 113(3) . . . . ?
C97 C39 Rh1A C14 -124.6(16) . . . . ?
C97 C39 Rh1A C26 121.5(17) . . . . ?
C97 C39 Rh1A C76 159.5(14) . . . . ?
C97 C39 Rh1A C78 -161.6(14) . . . . ?
C102 C19 C50 Rh2 -64.3(10) . . . . ?
C102 C19 C50 C89 178.7(14) . . . . ?
C102 C19 C50 C106 -5.9(16) . . . . ?
C102 C19 C50 Rh5 -83.4(13) . . . . ?
C102 C61 C106 Rh2 60.6(9) . . . . ?
C102 C61 C106 C47 -173.8(13) . . . . ?
C102 C61 C106 C50 -1.6(15) . . . . ?
C102 C61 C106 Rh5 51.3(10) . . . . ?
C103 C26 C39 Rh1B 122.8(14) . . . . ?
C103 C26 C39 C14 -178.0(13) . . . . ?
C103 C26 C39 C97 5(2) . . . . ?
C103 C26 C39 Rh1A 115.7(17) . . . . ?
C103 C26 C76 Rh1B -122.6(14) . . . . ?
C103 C26 C76 C78 179.0(13) . . . . ?
C103 C26 C76 C83 -8(2) . . . . ?
C103 C26 C76 Rh1A -128.9(17) . . . . ?
C106 C61 C102 Rh2 -57.6(9) . . . . ?
C106 C61 C102 C19 -2.2(16) . . . . ?
C106 C61 C102 C53 179.4(13) . . . . ?
C106 C61 C102 Rh5 -50.1(10) . . . . ?
Rh3 O10 C58 N12 -3.3(14) . . . . ?
Rh3 O10 C58 C42 179.8(8) . . . . ?
Rh3 O22 N12 C58 18.9(13) . . . . ?
Rh3 O22 N12 C74 -162.0(9) . . . . ?
Rh3 N9 C92 C94 -166.3(8) . . . . ?
Rh3 N9 C100 C98 165.6(8) . . . . ?
Rh3 C37 C77 C105 117.4(17) . . . . ?
Rh3 C37 C77 C110 -61.0(10) . . . . ?
Rh3 C37 C120 C107 -118.2(16) . . . . ?
Rh3 C37 C120 C116 61.3(11) . . . . ?
Rh3 C77 C110 C13 120.5(15) . . . . ?
Rh3 C77 C110 C116 -61.2(10) . . . . ?
Rh3 C110 C116 C23 118.7(15) . . . . ?
Rh3 C110 C116 C120 -59.5(11) . . . . ?
Rh3 C116 C120 C37 -60.4(11) . . . . ?
Rh3 C116 C120 C107 119.1(16) . . . . ?
Rh4 O1 C8 N1 -5.7(13) . . . . ?
Rh4 O1 C8 C12 179.2(8) . . . . ?
Rh4 O16 N1 C8 11.5(12) . . . . ?
Rh4 O16 N1 C28 -165.8(8) . . . . ?
Rh4 N3 C86 C67 -166.9(6) . . . . ?
Rh4 N3 C104 C25 167.3(6) . . . . ?
Rh4 C40 C68 C15 -117.2(13) . . . . ?
Rh4 C40 C68 C66 61.5(10) . . . . ?
Rh4 C40 C114 C45 120.6(15) . . . . ?
Rh4 C40 C114 C80 -57.8(10) . . . . ?
Rh4 C66 C68 C15 118.0(15) . . . . ?
Rh4 C66 C68 C40 -60.7(10) . . . . ?
Rh4 C66 C80 C93 -119.9(15) . . . . ?
Rh4 C66 C80 C114 63.0(10) . . . . ?
Rh4 C80 C114 C40 57.9(10) . . . . ?
Rh4 C80 C114 C45 -120.4(16) . . . . ?
O1 C8 C12 C6 179.6(10) . . . . ?
O1 C8 C12 C64 3.5(17) . . . . ?
O5 C59 C99 C95 167.9(16) . . . . ?
O5 C59 C99 C5 -10(2) . . . . ?
O16 N1 C8 O1 -3.9(16) . . . . ?
O16 N1 C8 C12 171.4(9) . . . . ?
O16 N1 C28 O24 3.5(17) . . . . ?
O16 N1 C28 C24 -172.2(10) . . . . ?
O19 C70 C101 C87 -145.3(12) . . . . ?
O19 C70 C101 C90 30.3(17) . . . . ?
O22 N12 C58 O10 -11.1(17) . . . . ?
O22 N12 C58 C42 166.0(10) . . . . ?
O22 N12 C74 O20 3.3(18) . . . . ?
O22 N12 C74 C62 -173.6(11) . . . . ?
N1 C8 C12 C6 4.4(16) . . . . ?
N1 C8 C12 C64 -171.7(11) . . . . ?
N3 C86 C67 C49 0.0 . . . . ?
C86 N3 C104 C25 0.0 . . . . ?
C86 C67 C49 C25 0.0 . . . . ?
C86 C67 C49 C109 175.7(12) . . . . ?
C67 C49 C25 C104 0.0 . . . . ?
C67 C49 C109 C111 105.9(18) . . . . ?
C49 C25 C104 N3 0.0 . . . . ?
C49 C109 C111 N11 -55(3) . . . . ?
C25 C49 C109 C111 -78.6(19) . . . . ?
C104 N3 C86 C67 0.0 . . . . ?
N5 C7 C119 C96 -63(2) . . . . ?
N5 C59 C99 C95 -2(2) . . . . ?
N5 C59 C99 C5 -179.6(13) . . . . ?
N9 C92 C94 C96 0.0 . . . . ?
C92 N9 C100 C98 0.0 . . . . ?
C92 C94 C96 C98 0.0 . . . . ?
C92 C94 C96 C119 166.6(15) . . . . ?
C94 C96 C98 C100 0.0 . . . . ?
C94 C96 C119 C7 115.9(18) . . . . ?
C96 C98 C100 N9 0.0 . . . . ?
C98 C96 C119 C7 -77(2) . . . . ?
C100 N9 C92 C94 0.0 . . . . ?
N11 C70 C101 C87 28(2) . . . . ?
N11 C70 C101 C90 -156.8(15) . . . . ?
C6 C12 C64 C46 -0.9(17) . . . . ?
C6 C24 C28 O24 -178.3(12) . . . . ?
C6 C24 C28 N1 -2.8(16) . . . . ?
C6 C24 C48 C82 0.0(17) . . . . ?
C6 C30 C42 C58 179.0(10) . . . . ?
C6 C30 C42 C82 -1.6(16) . . . . ?
C6 C30 C62 C46 -2.8(16) . . . . ?
C6 C30 C62 C74 173.3(10) . . . . ?
C7 N5 C59 O5 9(3) . . . . ?
C7 N5 C59 C99 179.8(16) . . . . ?
C8 N1 C28 O24 -173.6(12) . . . . ?
C8 N1 C28 C24 10.8(17) . . . . ?
C8 C12 C64 C46 175.2(10) . . . . ?
C12 C6 C24 C28 -3.4(15) . . . . ?
C12 C6 C24 C48 177.9(10) . . . . ?
C12 C6 C30 C42 -177.2(10) . . . . ?
C12 C6 C30 C62 2.1(15) . . . . ?
C13 C110 C116 Rh3 -121.1(17) . . . . ?
C13 C110 C116 C23 -2(3) . . . . ?
C13 C110 C116 C120 179.4(16) . . . . ?
C23 C116 C120 Rh3 -119.1(16) . . . . ?
C23 C116 C120 C37 -179.5(15) . . . . ?
C23 C116 C120 C107 0(3) . . . . ?
C24 C6 C12 C8 2.7(15) . . . . ?
C24 C6 C12 C64 178.9(10) . . . . ?
C24 C6 C30 C42 3.6(15) . . . . ?
C24 C6 C30 C62 -177.1(10) . . . . ?
C24 C48 C82 C42 2.1(17) . . . . ?
C28 N1 C8 O1 173.1(11) . . . . ?
C28 N1 C8 C12 -11.6(17) . . . . ?
C28 C24 C48 C82 -178.7(11) . . . . ?
C30 C6 C12 C8 -176.5(10) . . . . ?
C30 C6 C12 C64 -0.3(16) . . . . ?
C30 C6 C24 C28 175.9(10) . . . . ?
C30 C6 C24 C48 -2.8(16) . . . . ?
C30 C42 C58 O10 -172.7(11) . . . . ?
C30 C42 C58 N12 10.4(16) . . . . ?
C30 C42 C82 C48 -1.3(17) . . . . ?
C30 C62 C74 O20 -171.5(13) . . . . ?
C30 C62 C74 N12 5.0(17) . . . . ?
C37 C77 C110 Rh3 60.6(10) . . . . ?
C37 C77 C110 C13 -178.9(15) . . . . ?
C37 C77 C110 C116 -0.6(17) . . . . ?
C42 C30 C62 C46 176.5(11) . . . . ?
C42 C30 C62 C74 -7.4(18) . . . . ?
C46 C62 C74 O20 5(2) . . . . ?
C46 C62 C74 N12 -178.8(11) . . . . ?
C48 C24 C28 O24 0.4(19) . . . . ?
C48 C24 C28 N1 175.9(11) . . . . ?
C58 N12 C74 O20 -177.7(12) . . . . ?
C58 N12 C74 C62 5.5(18) . . . . ?
C58 C42 C82 C48 178.1(10) . . . . ?
C59 N5 C7 C119 165(2) . . . . ?
C59 C99 C95 C87 -177.3(12) . . . . ?
C59 C99 C5 C90 177.7(11) . . . . ?
C62 C30 C42 C58 -0.3(16) . . . . ?
C62 C30 C42 C82 179.2(11) . . . . ?
C62 C46 C64 C12 0.3(17) . . . . ?
C64 C46 C62 C30 1.7(17) . . . . ?
C64 C46 C62 C74 -174.5(11) . . . . ?
C66 C80 C114 Rh4 -62.0(10) . . . . ?
C66 C80 C114 C40 -4.1(16) . . . . ?
C66 C80 C114 C45 177.6(15) . . . . ?
C68 C40 C114 Rh4 60.7(9) . . . . ?
C68 C40 C114 C45 -178.7(14) . . . . ?
C68 C40 C114 C80 2.9(16) . . . . ?
C68 C66 C80 Rh4 -59.3(10) . . . . ?
C68 C66 C80 C93 -179.2(14) . . . . ?
C68 C66 C80 C114 3.7(17) . . . . ?
C70 N11 C111 C109 -60(3) . . . . ?
C70 C101 C90 C5 -175.7(10) . . . . ?
C74 N12 C58 O10 169.8(11) . . . . ?
C74 N12 C58 C42 -13.1(17) . . . . ?
C77 C37 C120 Rh3 -60.2(11) . . . . ?
C77 C37 C120 C107 -178.5(15) . . . . ?
C77 C37 C120 C116 1.0(18) . . . . ?
C77 C110 C116 Rh3 60.7(10) . . . . ?
C77 C110 C116 C23 179.4(14) . . . . ?
C77 C110 C116 C120 1.3(17) . . . . ?
C80 C66 C68 Rh4 58.8(10) . . . . ?
C80 C66 C68 C15 176.7(14) . . . . ?
C80 C66 C68 C40 -1.9(16) . . . . ?
C82 C42 C58 O10 7.9(17) . . . . ?
C82 C42 C58 N12 -169.1(11) . . . . ?
C84 C66 C68 Rh4 -120.7(15) . . . . ?
C84 C66 C68 C15 -3(2) . . . . ?
C84 C66 C68 C40 178.6(14) . . . . ?
C84 C66 C80 Rh4 120.2(14) . . . . ?
C84 C66 C80 C93 0(2) . . . . ?
C84 C66 C80 C114 -176.8(14) . . . . ?
C93 C80 C114 Rh4 120.9(15) . . . . ?
C93 C80 C114 C40 178.8(14) . . . . ?
C93 C80 C114 C45 1(3) . . . . ?
C99 C95 C87 C101 0.0 . . . . ?
C95 C99 C5 C90 0.0 . . . . ?
C95 C87 C101 C70 175.5(10) . . . . ?
C95 C87 C101 C90 0.0 . . . . ?
C87 C101 C90 C5 0.0 . . . . ?
C101 C90 C5 C99 0.0 . . . . ?
C5 C99 C95 C87 0.0 . . . . ?
C105 C77 C110 Rh3 -117.8(17) . . . . ?
C105 C77 C110 C13 3(3) . . . . ?
C105 C77 C110 C116 -179.0(15) . . . . ?
C109 C49 C25 C104 -175.3(13) . . . . ?
C110 C116 C120 Rh3 59.0(11) . . . . ?
C110 C116 C120 C37 -1.4(17) . . . . ?
C110 C116 C120 C107 178.1(15) . . . . ?
C111 N11 C70 O19 -1(3) . . . . ?
C111 N11 C70 C101 -173.9(15) . . . . ?
C113 C37 C77 Rh3 -121.7(17) . . . . ?
C113 C37 C77 C105 -4(3) . . . . ?
C113 C37 C77 C110 177.3(15) . . . . ?
C113 C37 C120 Rh3 122.3(17) . . . . ?
C113 C37 C120 C107 4(3) . . . . ?
C113 C37 C120 C116 -176.5(16) . . . . ?
C114 C40 C68 Rh4 -62.1(10) . . . . ?
C114 C40 C68 C15 -179.3(13) . . . . ?
C114 C40 C68 C66 -0.6(16) . . . . ?
C118 C40 C68 Rh4 125.8(14) . . . . ?
C118 C40 C68 C15 9(2) . . . . ?
C118 C40 C68 C66 -172.7(13) . . . . ?
C118 C40 C114 Rh4 -127.1(14) . . . . ?
C118 C40 C114 C45 -7(2) . . . . ?
C118 C40 C114 C80 175.1(13) . . . . ?
C119 C96 C98 C100 -167.4(14) . . . . ?
C120 C37 C77 Rh3 60.8(11) . . . . ?
C120 C37 C77 C105 178.2(15) . . . . ?
C120 C37 C77 C110 -0.2(18) . . . . ?
O29 S4 C9 F2 -90(2) . . . . ?
O29 S4 C9 F8 -177.5(18) . . . . ?
O29 S4 C9 F12 65(3) . . . . ?
O30 S4 C9 F2 31(3) . . . . ?
O30 S4 C9 F8 -57(2) . . . . ?
O30 S4 C9 F12 -174(3) . . . . ?
O31 S4 C9 F2 166(2) . . . . ?
O31 S4 C9 F8 79(2) . . . . ?
O31 S4 C9 F12 -38(4) . . . . ?
O3 S2 C57 F5 -59(2) . . . . ?
O3 S2 C57 F7 -175.1(19) . . . . ?
O3 S2 C57 F10 56(3) . . . . ?
O25 S2 C57 F5 172.8(18) . . . . ?
O25 S2 C57 F7 56(2) . . . . ?
O25 S2 C57 F10 -73(2) . . . . ?
O26 S2 C57 F5 61.5(19) . . . . ?
O26 S2 C57 F7 -55(2) . . . . ?
O26 S2 C57 F10 176(2) . . . . ?
O11 S1 C21 F1 59.4(17) . . . . ?
O11 S1 C21 F4 -59.7(17) . . . . ?
O11 S1 C21 F6 178.5(15) . . . . ?
O17 S1 C21 F1 -55.8(16) . . . . ?
O17 S1 C21 F4 -174.9(14) . . . . ?
O17 S1 C21 F6 63.2(15) . . . . ?
O23 S1 C21 F1 -175.3(15) . . . . ?
O23 S1 C21 F4 65.5(17) . . . . ?
O23 S1 C21 F6 -56.3(17) . . . . ?
O7 S3 C117 F3 -179.1(18) . . . . ?
O7 S3 C117 F9 -64(2) . . . . ?
O7 S3 C117 F11 52(2) . . . . ?
O15 S3 C117 F3 -62(2) . . . . ?
O15 S3 C117 F9 54(2) . . . . ?
O15 S3 C117 F11 169(2) . . . . ?
O27 S3 C117 F3 64(2) . . . . ?
O27 S3 C117 F9 179.8(18) . . . . ?
O27 S3 C117 F11 -65(2) . . . . ?
Rh5 O8 C36 N4 -0.2(13) . . . . ?
Rh5 O8 C36 C52 178.6(10) . . . . ?
Rh5 O14 N4 C32 -172.0(9) . . . . ?
Rh5 O14 N4 C36 11.4(15) . . . . ?
Rh5 N8 C33 C85 -176.1(9) . . . . ?
Rh5 N8 C112 C69 177.3(6) . . . . ?
Rh5 C19 C50 C89 -97.9(16) . . . . ?
Rh5 C19 C50 C106 77.5(12) . . . . ?
Rh5 C19 C102 C53 113.5(14) . . . . ?
Rh5 C19 C102 C61 -64.9(12) . . . . ?
Rh5 C50 C106 C47 -119.2(14) . . . . ?
Rh5 C50 C106 C61 68.6(11) . . . . ?
Rh1A O6 C38 N10 9.4(14) . . . . ?
Rh1A O6 C38 C16 -169.9(11) . . . . ?
Rh1A O18 N10 C4 162.6(15) . . . . ?
Rh1A O18 N10 C38 -14.4(18) . . . . ?
Rh1A N6 C11 C35 179.6(7) . . . . ?
Rh1A N6 C22 C34 -179.6(8) . . . . ?
Rh1A C14 C39 C26 -65.0(13) . . . . ?
Rh1A C14 C39 C97 112.1(18) . . . . ?
Rh1A C14 C78 C76 58.3(12) . . . . ?
Rh1A C14 C78 C81 -125.8(15) . . . . ?
Rh1A C26 C39 C14 66.4(14) . . . . ?
Rh1A C26 C39 C97 -110.9(18) . . . . ?
Rh1A C26 C76 C78 -52.2(12) . . . . ?
Rh1A C26 C76 C83 121.1(15) . . . . ?
Rh1A C76 C78 C14 -51.0(14) . . . . ?
Rh1A C76 C78 C81 133.2(18) . . . . ?

_smtbx_masks_special_details     
;
A solvent mask was calculated and 534 electrons were 
found in a volume of 1464Å³ in 3 voids per unit cell. 
This is consistent with the presence of 
6[CH3OH], 1[H2O], 1[H2O] per Asymmetric Unit 
which account for 512 electrons 
per unit cell.
;
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.000 0.500 587.8 226.7 '12 CH3OH'
2 0.000 0.500 0.000 587.8 226.7 '12 CH3OH'
3 0.235 0.637 0.326 33.1 10.3 '1 H2O'
4 0.235 0.863 0.826 33.1 10.3 '1 H2O'
5 0.492 0.032 0.702 39.4 10.4 '1 H2O'
6 0.492 0.468 0.202 39.4 10.4 '1 H2O'
7 0.508 -0.032 0.298 39.4 10.4 '1 H2O'
8 0.508 0.532 0.798 39.4 10.4 '1 H2O'
9 0.765 0.137 0.174 33.1 10.0 '1 H2O'
10 0.765 0.363 0.674 33.1 10.0 '1 H2O'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
