# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
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# 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_mo_60506c
_database_code_depnum_ccdc_archive 'CCDC 1555974'
_audit_update_record             
;
2017-06-14 deposited with the CCDC.
2017-07-19 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C90 H112 F12 N10 O27 Rh4 S4'
_chemical_formula_weight         2533.77

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   15.3538(17)
_cell_length_b                   17.894(2)
_cell_length_c                   20.376(2)
_cell_angle_alpha                109.857(2)
_cell_angle_beta                 91.607(2)
_cell_angle_gamma                96.139(2)
_cell_volume                     5222.8(10)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    3306
_cell_measurement_theta_min      2.30
_cell_measurement_theta_max      22.41

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.611
_exptl_crystal_F_000             2580
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.110
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.090
_exptl_absorpt_coefficient_mu    0.800
_shelx_estimated_absorpt_T_min   0.917
_shelx_estimated_absorpt_T_max   0.932
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.679
_exptl_absorpt_correction_T_max  0.745
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            32624
_diffrn_reflns_av_unetI/netI     0.2551
_diffrn_reflns_av_R_equivalents  0.1673
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.219
_diffrn_reflns_theta_max         25.010
_diffrn_reflns_theta_full        25.010
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             18395
_reflns_number_gt                8090
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          
; 
 One of four triflate anions was disordered and it was 
 divided into two parts (57:43). 22 ISOR and 35 DFIX 
 instructions were used to restrain anions, solvents and Cp* 
 fragments so that there were 167 restraints in the data. 
 Hydrogen of methanol molecules could not be found and others 
 were put in calculated positions. 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0522P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         18395
_refine_ls_number_parameters     1318
_refine_ls_number_restraints     167
_refine_ls_R_factor_all          0.1416
_refine_ls_R_factor_gt           0.0642
_refine_ls_wR_factor_ref         0.1714
_refine_ls_wR_factor_gt          0.1405
_refine_ls_goodness_of_fit_ref   0.837
_refine_ls_restrained_S_all      0.838
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 0.000 253 66 ' '
2 0.025 0.347 0.800 13 -2 ' '
3 -0.071 0.362 0.518 46 11 ' '
4 0.071 0.638 0.482 46 11 ' '
5 -0.025 0.653 0.200 13 -2 ' '
6 0.426 0.253 0.411 105 29 ' '
7 0.500 0.000 0.000 187 30 ' '
8 0.574 0.747 0.589 105 29 ' '
_platon_squeeze_void_probe_radius 1.20
_platon_squeeze_details          
; 
 In asymmetric unit of this data, there were disordered 
 solvents (four methanol and one water molecules) which 
 could not be restrained properly. Therefore, SQUEEZE 
 algorithm was used to omit them. 
;

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 0.65968(4) 0.44729(4) 0.20760(4) 0.02263(18) Uani 1 1 d . . . . .
Rh2 Rh 0.25445(4) 0.43910(4) 0.21218(4) 0.02422(19) Uani 1 1 d . . . . .
Rh3 Rh 0.82296(5) 0.05293(5) 0.27403(4) 0.0306(2) Uani 1 1 d . . . . .
Rh4 Rh 1.21125(5) -0.01087(4) 0.28910(4) 0.0275(2) Uani 1 1 d . . . . .
N1 N 0.5301(4) 0.3949(4) 0.2159(3) 0.0210(16) Uani 1 1 d . . . . .
N2 N 0.3877(4) 0.4166(4) 0.2186(3) 0.0224(17) Uani 1 1 d . . . . .
N3 N 0.5923(4) 0.5502(4) 0.2508(3) 0.0220(16) Uani 1 1 d . . . . .
N4 N 0.6950(4) 0.4595(4) 0.3145(3) 0.0236(17) Uani 1 1 d D . . . .
N5 N 0.7427(5) 0.5333(4) 0.6770(3) 0.0263(18) Uani 1 1 d D . . . .
N6 N 0.9628(5) 0.0828(4) 0.2726(4) 0.0269(18) Uani 1 1 d . . . . .
N7 N 1.0924(5) 0.0377(5) 0.2761(4) 0.0289(18) Uani 1 1 d . . . . .
N8 N 0.8685(5) -0.0608(4) 0.2276(4) 0.0266(18) Uani 1 1 d . . . . .
N9 N 0.8004(6) 0.0570(5) 0.1714(4) 0.036(2) Uani 1 1 d . . . . .
N10 N 0.7714(5) 0.0271(4) -0.1808(4) 0.0322(19) Uani 1 1 d D . . . .
O1 O 0.4700(5) 0.1808(4) 0.1738(4) 0.058(2) Uani 1 1 d . . . . .
H1 H 0.4180 0.1892 0.1681 0.087 Uiso 1 1 calc R U . . .
O2 O 0.6013(4) 0.2523(4) 0.2067(3) 0.0338(16) Uani 1 1 d . . . . .
O3 O 0.2408(4) 0.3143(4) 0.2001(3) 0.0285(15) Uani 1 1 d . . . . .
O4 O 0.3115(4) 0.2067(4) 0.1736(4) 0.0487(19) Uani 1 1 d . . . . .
O5 O 1.0678(5) 0.2895(4) 0.3397(4) 0.060(2) Uani 1 1 d . . . . .
H5 H 1.1129 0.2704 0.3479 0.090 Uiso 1 1 calc R U . . .
O6 O 0.9339(5) 0.2455(4) 0.2927(4) 0.0466(18) Uani 1 1 d . . . . .
O7 O 1.2549(4) 0.1148(4) 0.3134(3) 0.0329(16) Uani 1 1 d . . . . .
O8 O 1.2113(5) 0.2344(4) 0.3473(4) 0.0468(19) Uani 1 1 d . . . . .
O9 O 0.8443(5) 0.6852(4) 0.3085(4) 0.070(2) Uani 1 1 d . . . . .
O10 O 0.7746(6) 0.7936(6) 0.3822(5) 0.102(3) Uani 1 1 d . . . . .
O11 O 0.9068(5) 0.8215(5) 0.3336(5) 0.077(3) Uani 1 1 d . . . . .
O12 O 0.2529(5) 0.8518(5) 0.4562(4) 0.070(3) Uani 1 1 d D . . . .
O13 O 0.3201(6) 0.7408(5) 0.3819(4) 0.082(3) Uani 1 1 d D . . . .
O14 O 0.3031(7) 0.7566(6) 0.5036(5) 0.098(3) Uani 1 1 d D . . . .
O15 O 0.6652(8) 0.7217(8) 0.1060(8) 0.162(6) Uani 1 1 d . U . . .
O16 O 0.5749(7) 0.7254(8) 0.0029(6) 0.134(5) Uani 1 1 d . U . . .
O17 O 0.5990(10) 0.8433(7) 0.1097(9) 0.179(6) Uani 1 1 d . U . . .
S1 S 0.85372(18) 0.76590(18) 0.35424(15) 0.0485(7) Uani 1 1 d . . . . .
S2 S 0.3110(2) 0.7943(2) 0.45072(16) 0.0587(8) Uani 1 1 d D . . . .
S3 S 0.5985(3) 0.7583(3) 0.0814(3) 0.0980(14) Uani 1 1 d . . . . .
F1 F 0.9340(6) 0.8375(6) 0.4792(4) 0.106(3) Uani 1 1 d D U . . .
F2 F 0.8799(9) 0.7194(7) 0.4606(6) 0.196(6) Uani 1 1 d D U . . .
F3 F 0.9960(6) 0.7427(6) 0.4112(5) 0.124(3) Uani 1 1 d D U . . .
F4 F 0.4811(6) 0.8109(7) 0.4771(5) 0.126(4) Uani 1 1 d . . . . .
F5 F 0.4354(7) 0.8865(7) 0.4272(7) 0.155(5) Uani 1 1 d . . . . .
F6 F 0.4136(7) 0.9097(7) 0.5372(6) 0.176(5) Uani 1 1 d . . . . .
F7 F 0.4366(6) 0.7438(6) 0.1025(5) 0.123(3) Uani 1 1 d . . . . .
F8 F 0.5065(8) 0.6470(6) 0.1123(6) 0.150(4) Uani 1 1 d D . . . .
F9 F 0.5207(8) 0.7679(8) 0.1933(5) 0.181(5) Uani 1 1 d . . . . .
C1 C 0.4717(6) 0.4511(5) 0.2275(4) 0.024(2) Uani 1 1 d . . . . .
C2 C 0.4819(6) 0.3239(5) 0.2028(5) 0.027(2) Uani 1 1 d . . . . .
C3 C 0.3923(6) 0.3356(6) 0.2020(4) 0.030(2) Uani 1 1 d . . . . .
C4 C 0.5060(6) 0.5363(5) 0.2519(5) 0.028(2) Uani 1 1 d . . . . .
C5 C 0.4551(6) 0.5974(6) 0.2783(5) 0.040(3) Uani 1 1 d . . . . .
H5A H 0.3933 0.5851 0.2782 0.049 Uiso 1 1 calc R U . . .
C6 C 0.4930(6) 0.6769(6) 0.3051(5) 0.045(3) Uani 1 1 d . . . . .
H6 H 0.4593 0.7203 0.3223 0.054 Uiso 1 1 calc R U . . .
C7 C 0.5844(6) 0.6880(6) 0.3049(5) 0.044(3) Uani 1 1 d . . . . .
H7 H 0.6152 0.7404 0.3247 0.053 Uiso 1 1 calc R U . . .
C8 C 0.6303(6) 0.6237(6) 0.2762(5) 0.034(2) Uani 1 1 d . . . . .
H8 H 0.6922 0.6335 0.2748 0.040 Uiso 1 1 calc R U . . .
C9 C 0.5226(7) 0.2504(5) 0.1945(5) 0.036(2) Uani 1 1 d . . . . .
C10 C 0.3111(6) 0.2804(6) 0.1896(4) 0.031(2) Uani 1 1 d . . . . .
C11 C 0.7463(6) 0.5237(6) 0.3564(5) 0.039(3) Uani 1 1 d D . . . .
H11 H 0.7714 0.5622 0.3376 0.047 Uiso 1 1 calc R U . . .
C12 C 0.7638(6) 0.5360(6) 0.4257(5) 0.039(3) Uani 1 1 d D . . . .
H12 H 0.8036 0.5808 0.4534 0.047 Uiso 1 1 calc R U . . .
C13 C 0.7243(6) 0.4836(6) 0.4556(5) 0.029(2) Uani 1 1 d D . . . .
C14 C 0.6723(7) 0.4195(6) 0.4129(5) 0.038(3) Uani 1 1 d . . . . .
H14 H 0.6449 0.3814 0.4314 0.046 Uiso 1 1 calc R U . . .
C15 C 0.6575(6) 0.4073(5) 0.3423(5) 0.030(2) Uani 1 1 d D . . . .
H15 H 0.6202 0.3613 0.3134 0.036 Uiso 1 1 calc R U . . .
C16 C 0.7333(6) 0.4552(5) 0.6306(5) 0.035(2) Uani 1 1 d D . . . .
H16 H 0.7304 0.4129 0.6491 0.041 Uiso 1 1 calc R U . . .
C17 C 0.7281(7) 0.4353(6) 0.5574(5) 0.040(3) Uani 1 1 d . . . . .
H17 H 0.7208 0.3811 0.5268 0.047 Uiso 1 1 calc R U . . .
C18 C 0.7340(6) 0.4985(5) 0.5318(5) 0.029(2) Uani 1 1 d . . . . .
C19 C 0.7493(7) 0.5752(7) 0.5777(5) 0.050(3) Uani 1 1 d . . . . .
H19 H 0.7574 0.6186 0.5607 0.060 Uiso 1 1 calc R U . . .
C20 C 0.7530(7) 0.5902(7) 0.6501(5) 0.051(3) Uani 1 1 d D . . . .
H20 H 0.7634 0.6442 0.6809 0.061 Uiso 1 1 calc R U . . .
C21 C 0.6628(6) 0.4306(5) 0.0989(4) 0.024(2) Uani 1 1 d D . . . .
C22 C 0.7328(5) 0.4893(5) 0.1363(4) 0.021(2) Uani 1 1 d . . . . .
C23 C 0.7889(6) 0.4586(7) 0.1710(5) 0.037(3) Uani 1 1 d . . . . .
C24 C 0.7594(6) 0.3756(6) 0.1551(5) 0.030(2) Uani 1 1 d . . . . .
C25 C 0.6816(6) 0.3571(5) 0.1072(4) 0.026(2) Uani 1 1 d D . . . .
C26 C 0.5868(6) 0.4368(7) 0.0532(5) 0.049(3) Uani 1 1 d . . . . .
H26A H 0.5815 0.4934 0.0615 0.073 Uiso 1 1 calc R U . . .
H26B H 0.5325 0.4111 0.0644 0.073 Uiso 1 1 calc R U . . .
H26C H 0.5971 0.4101 0.0039 0.073 Uiso 1 1 calc R U . . .
C27 C 0.7436(7) 0.5743(6) 0.1340(5) 0.041(3) Uani 1 1 d . . . . .
H27A H 0.7773 0.5756 0.0942 0.062 Uiso 1 1 calc R U . . .
H27B H 0.7749 0.6111 0.1775 0.062 Uiso 1 1 calc R U . . .
H27C H 0.6856 0.5907 0.1289 0.062 Uiso 1 1 calc R U . . .
C28 C 0.8714(5) 0.5013(5) 0.2120(5) 0.028(2) Uani 1 1 d . . . . .
H28A H 0.8873 0.4750 0.2449 0.042 Uiso 1 1 calc R U . . .
H28B H 0.8633 0.5569 0.2379 0.042 Uiso 1 1 calc R U . . .
H28C H 0.9184 0.5001 0.1802 0.042 Uiso 1 1 calc R U . . .
C29 C 0.8030(6) 0.3186(6) 0.1784(5) 0.033(2) Uani 1 1 d . . . . .
H29A H 0.8504 0.2998 0.1480 0.049 Uiso 1 1 calc R U . . .
H29B H 0.7601 0.2729 0.1759 0.049 Uiso 1 1 calc R U . . .
H29C H 0.8275 0.3452 0.2267 0.049 Uiso 1 1 calc R U . . .
C30 C 0.6351(6) 0.2740(5) 0.0689(5) 0.039(2) Uani 1 1 d . . . . .
H30A H 0.6577 0.2527 0.0225 0.058 Uiso 1 1 calc R U . . .
H30B H 0.5719 0.2764 0.0639 0.058 Uiso 1 1 calc R U . . .
H30C H 0.6457 0.2390 0.0956 0.058 Uiso 1 1 calc R U . . .
C31 C 0.1940(6) 0.4080(6) 0.1092(4) 0.030(2) Uani 1 1 d . . . . .
C32 C 0.1297(6) 0.4276(6) 0.1587(5) 0.033(2) Uani 1 1 d D . . . .
C33 C 0.1533(6) 0.5083(6) 0.2025(5) 0.032(2) Uani 1 1 d D . . . .
C34 C 0.2330(6) 0.5379(6) 0.1779(5) 0.033(2) Uani 1 1 d . . . . .
C35 C 0.2566(6) 0.4727(6) 0.1204(5) 0.034(2) Uani 1 1 d . . . . .
C36 C 0.1944(7) 0.3281(6) 0.0523(5) 0.049(3) Uani 1 1 d . . . . .
H36A H 0.2517 0.3256 0.0321 0.074 Uiso 1 1 calc R U . . .
H36B H 0.1484 0.3214 0.0157 0.074 Uiso 1 1 calc R U . . .
H36C H 0.1835 0.2853 0.0719 0.074 Uiso 1 1 calc R U . . .
C37 C 0.0538(6) 0.3694(6) 0.1623(5) 0.039(2) Uani 1 1 d . . . . .
H37A H 0.0080 0.3643 0.1260 0.058 Uiso 1 1 calc R U . . .
H37B H 0.0301 0.3888 0.2084 0.058 Uiso 1 1 calc R U . . .
H37C H 0.0737 0.3171 0.1548 0.058 Uiso 1 1 calc R U . . .
C38 C 0.1000(7) 0.5602(6) 0.2592(6) 0.050(3) Uani 1 1 d . . . . .
H38A H 0.1386 0.6067 0.2903 0.075 Uiso 1 1 calc R U . . .
H38B H 0.0740 0.5286 0.2863 0.075 Uiso 1 1 calc R U . . .
H38C H 0.0531 0.5786 0.2371 0.075 Uiso 1 1 calc R U . . .
C39 C 0.2739(7) 0.6270(7) 0.2022(6) 0.057(3) Uani 1 1 d . . . . .
H39A H 0.3369 0.6298 0.1950 0.086 Uiso 1 1 calc R U . . .
H39B H 0.2654 0.6530 0.2519 0.086 Uiso 1 1 calc R U . . .
H39C H 0.2453 0.6544 0.1749 0.086 Uiso 1 1 calc R U . . .
C40 C 0.3335(7) 0.4784(7) 0.0798(6) 0.057(3) Uani 1 1 d . . . . .
H40A H 0.3475 0.4245 0.0539 0.086 Uiso 1 1 calc R U . . .
H40B H 0.3838 0.5091 0.1117 0.086 Uiso 1 1 calc R U . . .
H40C H 0.3202 0.5054 0.0468 0.086 Uiso 1 1 calc R U . . .
C41 C 1.0057(6) 0.0177(5) 0.2589(5) 0.028(2) Uani 1 1 d . . . . .
C42 C 1.0238(6) 0.1467(5) 0.2969(5) 0.030(2) Uani 1 1 d . . . . .
C43 C 1.1030(6) 0.1198(6) 0.2991(5) 0.032(2) Uani 1 1 d . . . . .
C44 C 0.9569(6) -0.0617(6) 0.2282(4) 0.033(2) Uani 1 1 d . . . . .
C45 C 0.9942(7) -0.1302(6) 0.1980(5) 0.037(2) Uani 1 1 d . . . . .
H45 H 1.0563 -0.1280 0.1979 0.045 Uiso 1 1 calc R U . . .
C46 C 0.9429(7) -0.2022(7) 0.1679(6) 0.055(3) Uani 1 1 d D . . . .
H46 H 0.9682 -0.2507 0.1501 0.067 Uiso 1 1 calc R U . . .
C47 C 0.8526(7) -0.2018(6) 0.1643(5) 0.047(3) Uani 1 1 d D . . . .
H47 H 0.8152 -0.2501 0.1408 0.057 Uiso 1 1 calc R U . . .
C48 C 0.8166(6) -0.1314(6) 0.1947(5) 0.038(2) Uani 1 1 d D . . . .
H48 H 0.7546 -0.1322 0.1926 0.045 Uiso 1 1 calc R U . . .
C49 C 1.0037(7) 0.2299(6) 0.3093(6) 0.040(3) Uani 1 1 d . . . . .
C50 C 1.1938(7) 0.1621(8) 0.3222(5) 0.043(3) Uani 1 1 d . . . . .
C51 C 0.7433(7) 0.0009(9) 0.1254(6) 0.063(4) Uani 1 1 d . . . . .
H51 H 0.7123 -0.0392 0.1396 0.076 Uiso 1 1 calc R U . . .
C52 C 0.7279(7) -0.0007(7) 0.0581(6) 0.055(3) Uani 1 1 d D . . . .
H52 H 0.6846 -0.0402 0.0278 0.066 Uiso 1 1 calc R U . . .
C53 C 0.7739(7) 0.0541(6) 0.0337(5) 0.047(3) Uani 1 1 d D . . . .
C54 C 0.8301(8) 0.1116(7) 0.0836(5) 0.060(4) Uani 1 1 d D . . . .
H54 H 0.8615 0.1531 0.0713 0.073 Uiso 1 1 calc R U . . .
C55 C 0.8424(8) 0.1114(6) 0.1501(5) 0.049(3) Uani 1 1 d . . . . .
H55 H 0.8829 0.1522 0.1822 0.059 Uiso 1 1 calc R U . . .
C56 C 0.7909(7) 0.1009(6) -0.1305(5) 0.044(3) Uani 1 1 d D . . . .
H56 H 0.8042 0.1460 -0.1447 0.053 Uiso 1 1 calc R U . . .
C57 C 0.7922(7) 0.1129(6) -0.0599(5) 0.046(3) Uani 1 1 d D . . . .
H57 H 0.8113 0.1640 -0.0260 0.055 Uiso 1 1 calc R U . . .
C58 C 0.7646(7) 0.0476(6) -0.0403(5) 0.046(3) Uani 1 1 d D . . . .
C59 C 0.7410(9) -0.0282(6) -0.0923(5) 0.066(4) Uani 1 1 d . . . . .
H59 H 0.7255 -0.0748 -0.0807 0.080 Uiso 1 1 calc R U . . .
C60 C 0.7417(8) -0.0310(7) -0.1593(5) 0.061(4) Uani 1 1 d D . . . .
H60 H 0.7182 -0.0801 -0.1942 0.073 Uiso 1 1 calc R U . . .
C61 C 0.6904(6) 0.0757(7) 0.3061(5) 0.041(3) Uani 1 1 d . . . . .
C62 C 0.7188(7) 0.0155(7) 0.3317(5) 0.043(3) Uani 1 1 d . . . . .
C63 C 0.7978(7) 0.0522(6) 0.3761(5) 0.038(3) Uani 1 1 d . . . . .
C64 C 0.8133(7) 0.1353(6) 0.3826(5) 0.037(3) Uani 1 1 d . . . . .
C65 C 0.7502(6) 0.1476(6) 0.3365(5) 0.035(2) Uani 1 1 d . . . . .
C66 C 0.6103(7) 0.0681(8) 0.2590(6) 0.063(4) Uani 1 1 d . . . . .
H66A H 0.5975 0.0127 0.2269 0.095 Uiso 1 1 calc R U . . .
H66B H 0.6211 0.1040 0.2321 0.095 Uiso 1 1 calc R U . . .
H66C H 0.5602 0.0827 0.2874 0.095 Uiso 1 1 calc R U . . .
C67 C 0.6712(8) -0.0646(8) 0.3170(6) 0.063(3) Uani 1 1 d . . . . .
H67A H 0.7132 -0.1026 0.3158 0.094 Uiso 1 1 calc R U . . .
H67B H 0.6377 -0.0814 0.2716 0.094 Uiso 1 1 calc R U . . .
H67C H 0.6309 -0.0633 0.3537 0.094 Uiso 1 1 calc R U . . .
C68 C 0.8450(7) 0.0122(6) 0.4171(5) 0.049(3) Uani 1 1 d . . . . .
H68A H 0.8146 0.0154 0.4594 0.073 Uiso 1 1 calc R U . . .
H68B H 0.9052 0.0390 0.4302 0.073 Uiso 1 1 calc R U . . .
H68C H 0.8464 -0.0441 0.3885 0.073 Uiso 1 1 calc R U . . .
C69 C 0.8845(7) 0.1935(7) 0.4291(5) 0.050(3) Uani 1 1 d . . . . .
H69A H 0.8880 0.2438 0.4196 0.075 Uiso 1 1 calc R U . . .
H69B H 0.9405 0.1716 0.4205 0.075 Uiso 1 1 calc R U . . .
H69C H 0.8718 0.2036 0.4781 0.075 Uiso 1 1 calc R U . . .
C70 C 0.7364(7) 0.2258(6) 0.3286(6) 0.052(3) Uani 1 1 d . . . . .
H70A H 0.6990 0.2541 0.3647 0.078 Uiso 1 1 calc R U . . .
H70B H 0.7080 0.2159 0.2823 0.078 Uiso 1 1 calc R U . . .
H70C H 0.7933 0.2586 0.3337 0.078 Uiso 1 1 calc R U . . .
C71 C 1.1746(6) -0.0560(7) 0.3726(5) 0.039(3) Uani 1 1 d . . . . .
C72 C 1.1934(6) -0.1204(5) 0.3132(4) 0.025(2) Uani 1 1 d . . . . .
C73 C 1.2831(6) -0.1067(6) 0.2974(5) 0.031(2) Uani 1 1 d . . . . .
C74 C 1.3205(7) -0.0299(7) 0.3444(5) 0.046(3) Uani 1 1 d . . . . .
C75 C 1.2560(7) 0.0002(6) 0.3933(5) 0.037(3) Uani 1 1 d . . . . .
C76 C 1.0903(7) -0.0479(7) 0.4049(6) 0.062(4) Uani 1 1 d . . . . .
H76A H 1.0423 -0.0641 0.3683 0.093 Uiso 1 1 calc R U . . .
H76B H 1.0888 0.0079 0.4346 0.093 Uiso 1 1 calc R U . . .
H76C H 1.0834 -0.0823 0.4335 0.093 Uiso 1 1 calc R U . . .
C77 C 1.1345(6) -0.1997(5) 0.2827(5) 0.033(2) Uani 1 1 d . . . . .
H77A H 1.1584 -0.2401 0.2981 0.049 Uiso 1 1 calc R U . . .
H77B H 1.1318 -0.2172 0.2315 0.049 Uiso 1 1 calc R U . . .
H77C H 1.0753 -0.1930 0.2988 0.049 Uiso 1 1 calc R U . . .
C78 C 1.3296(8) -0.1601(7) 0.2423(6) 0.060(3) Uani 1 1 d . . . . .
H78A H 1.3680 -0.1283 0.2214 0.090 Uiso 1 1 calc R U . . .
H78B H 1.2868 -0.1972 0.2062 0.090 Uiso 1 1 calc R U . . .
H78C H 1.3650 -0.1905 0.2624 0.090 Uiso 1 1 calc R U . . .
C79 C 1.4123(6) 0.0105(9) 0.3483(7) 0.078(4) Uani 1 1 d . U . . .
H79A H 1.4152 0.0671 0.3774 0.117 Uiso 1 1 calc R U . . .
H79B H 1.4287 0.0062 0.3012 0.117 Uiso 1 1 calc R U . . .
H79C H 1.4529 -0.0154 0.3690 0.117 Uiso 1 1 calc R U . . .
C80 C 1.2662(8) 0.0817(7) 0.4538(5) 0.066(4) Uani 1 1 d . U . . .
H80A H 1.2955 0.0764 0.4951 0.099 Uiso 1 1 calc R U . . .
H80B H 1.2081 0.0985 0.4650 0.099 Uiso 1 1 calc R U . . .
H80C H 1.3015 0.1218 0.4396 0.099 Uiso 1 1 calc R U . . .
C81 C 0.9169(9) 0.7639(7) 0.4290(7) 0.075(4) Uani 1 1 d D U . . .
C82 C 0.4132(11) 0.8533(10) 0.4743(9) 0.092(5) Uani 1 1 d . U . . .
C83 C 0.5071(13) 0.7289(10) 0.1235(8) 0.109(6) Uani 1 1 d D U . . .
C85 C 0.9821(12) 0.4570(11) 0.4036(9) 0.126(7) Uani 1 1 d . . . . .
O21 O 0.9416(8) 0.4179(6) 0.3353(5) 0.108(4) Uani 1 1 d . . . . .
C86 C 0.5231(13) 0.5910(15) 0.4446(10) 0.155(9) Uani 1 1 d . . . . .
O22 O 0.5332(8) 0.5776(8) 0.5121(6) 0.130(4) Uani 1 1 d . . . . .
S4 S 0.1579(5) 0.6670(3) 0.0387(3) 0.053(2) Uani 0.574(11) 1 d D . P A 1
O18 O 0.2329(15) 0.628(2) 0.038(2) 0.097(8) Uani 0.574(11) 1 d D U P A 1
O19 O 0.145(2) 0.7176(15) 0.1084(9) 0.053(5) Uani 0.574(11) 1 d D U P A 1
O20 O 0.133(3) 0.690(2) -0.0191(19) 0.061(5) Uani 0.574(11) 1 d D U P A 1
C84 C 0.0711(18) 0.5855(17) 0.0238(15) 0.078(8) Uani 0.574(11) 1 d . U P A 1
F10 F 0.072(2) 0.5350(15) -0.0375(12) 0.134(12) Uani 0.574(11) 1 d . U P A 1
F11 F 0.0804(17) 0.5518(9) 0.0689(7) 0.061(5) Uani 0.574(11) 1 d . U P A 1
F12 F -0.0090(13) 0.6111(11) 0.0250(11) 0.083(6) Uani 0.574(11) 1 d . U P A 1
S4' S 0.0896(6) 0.6771(4) 0.0302(4) 0.046(3) Uani 0.426(11) 1 d D . P A 2
O18' O -0.002(2) 0.6516(16) 0.0229(13) 0.062(7) Uani 0.426(11) 1 d . U P A 2
O19' O 0.119(3) 0.730(2) 0.0992(13) 0.053(5) Uani 0.426(11) 1 d D . P A 2
O20' O 0.143(5) 0.712(3) -0.022(3) 0.061(5) Uani 0.426(11) 1 d . . P A 2
C84' C 0.1358(14) 0.5866(11) 0.0204(12) 0.043(7) Uani 0.426(11) 1 d D U P A 2
F10' F 0.1098(19) 0.5294(13) -0.0411(12) 0.076(9) Uani 0.426(11) 1 d D U P A 2
F11' F 0.115(3) 0.554(2) 0.0692(16) 0.16(2) Uani 0.426(11) 1 d D U P A 2
F12' F 0.2226(14) 0.5944(19) 0.022(2) 0.097(8) Uani 0.426(11) 1 d D . P A 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 C21 2.135(8) . ?
Rh1 C22 2.141(8) . ?
Rh1 N1 2.143(6) . ?
Rh1 N3 2.143(7) . ?
Rh1 C23 2.151(8) . ?
Rh1 N4 2.161(7) . ?
Rh1 C24 2.171(9) . ?
Rh1 C25 2.194(8) . ?
Rh2 C33 2.131(8) . ?
Rh2 C32 2.132(8) . ?
Rh2 C31 2.136(8) . ?
Rh2 N2 2.136(7) . ?
Rh2 N5 2.139(7) 2_666 ?
Rh2 O3 2.149(6) . ?
Rh2 C35 2.151(8) . ?
Rh2 C34 2.162(8) . ?
Rh3 C63 2.131(9) . ?
Rh3 N8 2.135(7) . ?
Rh3 N9 2.138(7) . ?
Rh3 N6 2.160(7) . ?
Rh3 C65 2.182(9) . ?
Rh3 C62 2.191(10) . ?
Rh3 C61 2.193(10) . ?
Rh3 C64 2.222(9) . ?
Rh4 C74 2.116(10) . ?
Rh4 N7 2.150(7) . ?
Rh4 C75 2.150(8) . ?
Rh4 N10 2.154(7) 2_755 ?
Rh4 O7 2.158(6) . ?
Rh4 C72 2.169(8) . ?
Rh4 C71 2.181(9) . ?
Rh4 C73 2.187(9) . ?
N1 C2 1.339(10) . ?
N1 C1 1.384(10) . ?
N2 C1 1.347(10) . ?
N2 C3 1.382(11) . ?
N3 C8 1.302(11) . ?
N3 C4 1.324(11) . ?
N4 C11 1.331(10) . ?
N4 C15 1.337(9) . ?
N5 C20 1.308(10) . ?
N5 C16 1.387(10) . ?
N5 Rh2 2.139(7) 2_666 ?
N6 C42 1.338(11) . ?
N6 C41 1.350(11) . ?
N7 C41 1.345(11) . ?
N7 C43 1.372(11) . ?
N8 C44 1.360(11) . ?
N8 C48 1.363(11) . ?
N9 C55 1.312(11) . ?
N9 C51 1.334(14) . ?
N10 C60 1.303(10) . ?
N10 C56 1.365(10) . ?
N10 Rh4 2.154(7) 2_755 ?
O1 C9 1.339(11) . ?
O2 C9 1.221(11) . ?
O3 C10 1.281(11) . ?
O4 C10 1.246(11) . ?
O5 C49 1.334(12) . ?
O6 C49 1.204(11) . ?
O7 C50 1.306(12) . ?
O8 C50 1.216(12) . ?
O9 S1 1.418(8) . ?
O10 S1 1.422(8) . ?
O11 S1 1.400(8) . ?
O12 S2 1.411(7) . ?
O13 S2 1.425(8) . ?
O14 S2 1.454(8) . ?
O15 S3 1.438(11) . ?
O16 S3 1.523(11) . ?
O17 S3 1.432(12) . ?
S1 C81 1.795(14) . ?
S2 C82 1.751(17) . ?
S3 C83 1.788(19) . ?
F1 C81 1.358(12) . ?
F2 C81 1.283(12) . ?
F3 C81 1.334(12) . ?
F4 C82 1.363(18) . ?
F5 C82 1.325(16) . ?
F6 C82 1.335(17) . ?
F7 C83 1.241(17) . ?
F8 C83 1.403(14) . ?
F9 C83 1.353(16) . ?
C1 C4 1.467(12) . ?
C2 C3 1.414(12) . ?
C2 C9 1.476(13) . ?
C3 C10 1.465(12) . ?
C4 C5 1.380(12) . ?
C5 C6 1.392(13) . ?
C6 C7 1.396(13) . ?
C7 C8 1.380(13) . ?
C11 C12 1.367(12) . ?
C12 C13 1.381(10) . ?
C13 C14 1.341(13) . ?
C13 C18 1.483(12) . ?
C14 C15 1.389(12) . ?
C16 C17 1.409(12) . ?
C17 C18 1.393(12) . ?
C18 C19 1.364(13) . ?
C19 C20 1.405(13) . ?
C21 C22 1.416(11) . ?
C21 C25 1.439(10) . ?
C21 C26 1.510(12) . ?
C22 C23 1.369(11) . ?
C22 C27 1.529(12) . ?
C23 C24 1.425(13) . ?
C23 C28 1.479(12) . ?
C24 C25 1.456(12) . ?
C24 C29 1.474(11) . ?
C25 C30 1.510(12) . ?
C31 C35 1.374(13) . ?
C31 C32 1.416(12) . ?
C31 C36 1.505(13) . ?
C32 C33 1.416(11) . ?
C32 C37 1.498(12) . ?
C33 C34 1.450(13) . ?
C33 C38 1.536(13) . ?
C34 C35 1.433(13) . ?
C34 C39 1.554(14) . ?
C35 C40 1.475(13) . ?
C41 C44 1.454(12) . ?
C42 C43 1.359(12) . ?
C42 C49 1.492(12) . ?
C43 C50 1.495(13) . ?
C44 C45 1.366(13) . ?
C45 C46 1.368(14) . ?
C46 C47 1.387(12) . ?
C47 C48 1.383(11) . ?
C51 C52 1.374(13) . ?
C52 C53 1.382(11) . ?
C53 C54 1.374(12) . ?
C53 C58 1.475(13) . ?
C54 C55 1.365(13) . ?
C56 C57 1.379(12) . ?
C57 C58 1.387(11) . ?
C58 C59 1.411(14) . ?
C59 C60 1.349(13) . ?
C61 C65 1.433(14) . ?
C61 C62 1.448(13) . ?
C61 C66 1.504(13) . ?
C62 C63 1.444(14) . ?
C62 C67 1.465(15) . ?
C63 C64 1.440(13) . ?
C63 C68 1.488(12) . ?
C64 C65 1.416(12) . ?
C64 C69 1.485(14) . ?
C65 C70 1.499(13) . ?
C71 C72 1.420(13) . ?
C71 C76 1.467(13) . ?
C71 C75 1.472(13) . ?
C72 C73 1.437(12) . ?
C72 C77 1.522(12) . ?
C73 C74 1.430(14) . ?
C73 C78 1.464(14) . ?
C74 C75 1.437(14) . ?
C74 C79 1.500(14) . ?
C75 C80 1.546(14) . ?
C85 O21 1.419(17) . ?
C86 O22 1.482(18) . ?
S4 O18 1.412(17) . ?
S4 O20 1.427(19) . ?
S4 O19 1.435(16) . ?
S4 C84 1.80(3) . ?
C84 F10 1.27(3) . ?
C84 F11 1.27(3) . ?
C84 F12 1.36(3) . ?
S4' O18' 1.42(3) . ?
S4' O19' 1.432(18) . ?
S4' O20' 1.60(5) . ?
S4' C84' 1.789(16) . ?
C84' F12' 1.323(18) . ?
C84' F11' 1.337(17) . ?
C84' F10' 1.339(17) . ?

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
C21 Rh1 C22 38.7(3) . . ?
C21 Rh1 N1 103.4(3) . . ?
C22 Rh1 N1 139.7(3) . . ?
C21 Rh1 N3 105.0(3) . . ?
C22 Rh1 N3 97.2(3) . . ?
N1 Rh1 N3 77.5(3) . . ?
C21 Rh1 C23 64.9(3) . . ?
C22 Rh1 C23 37.2(3) . . ?
N1 Rh1 C23 159.5(3) . . ?
N3 Rh1 C23 120.9(4) . . ?
C21 Rh1 N4 163.8(3) . . ?
C22 Rh1 N4 129.7(3) . . ?
N1 Rh1 N4 90.2(2) . . ?
N3 Rh1 N4 86.3(2) . . ?
C23 Rh1 N4 99.5(3) . . ?
C21 Rh1 C24 65.7(3) . . ?
C22 Rh1 C24 63.5(3) . . ?
N1 Rh1 C24 122.2(3) . . ?
N3 Rh1 C24 159.1(3) . . ?
C23 Rh1 C24 38.5(4) . . ?
N4 Rh1 C24 99.7(3) . . ?
C21 Rh1 C25 38.8(3) . . ?
C22 Rh1 C25 63.4(3) . . ?
N1 Rh1 C25 95.9(3) . . ?
N3 Rh1 C25 141.3(3) . . ?
C23 Rh1 C25 64.2(4) . . ?
N4 Rh1 C25 132.2(3) . . ?
C24 Rh1 C25 39.0(3) . . ?
C33 Rh2 C32 38.8(3) . . ?
C33 Rh2 C31 64.7(4) . . ?
C32 Rh2 C31 38.8(3) . . ?
C33 Rh2 N2 154.3(3) . . ?
C32 Rh2 N2 153.9(3) . . ?
C31 Rh2 N2 116.1(3) . . ?
C33 Rh2 N5 98.2(3) . 2_666 ?
C32 Rh2 N5 117.1(3) . 2_666 ?
C31 Rh2 N5 155.6(3) . 2_666 ?
N2 Rh2 N5 87.0(3) . 2_666 ?
C33 Rh2 O3 127.6(3) . . ?
C32 Rh2 O3 92.5(3) . . ?
C31 Rh2 O3 89.2(3) . . ?
N2 Rh2 O3 77.4(2) . . ?
N5 Rh2 O3 88.5(2) 2_666 . ?
C33 Rh2 C35 65.4(4) . . ?
C32 Rh2 C35 64.6(4) . . ?
C31 Rh2 C35 37.4(3) . . ?
N2 Rh2 C35 99.1(3) . . ?
N5 Rh2 C35 152.4(3) 2_666 . ?
O3 Rh2 C35 119.1(3) . . ?
C33 Rh2 C34 39.5(3) . . ?
C32 Rh2 C34 65.1(4) . . ?
C31 Rh2 C34 63.9(4) . . ?
N2 Rh2 C34 115.8(3) . . ?
N5 Rh2 C34 114.6(3) 2_666 . ?
O3 Rh2 C34 152.9(3) . . ?
C35 Rh2 C34 38.8(3) . . ?
C63 Rh3 N8 101.6(3) . . ?
C63 Rh3 N9 160.0(4) . . ?
N8 Rh3 N9 88.5(3) . . ?
C63 Rh3 N6 107.4(3) . . ?
N8 Rh3 N6 76.5(3) . . ?
N9 Rh3 N6 91.7(3) . . ?
C63 Rh3 C65 64.3(3) . . ?
N8 Rh3 C65 162.1(3) . . ?
N9 Rh3 C65 101.9(3) . . ?
N6 Rh3 C65 117.1(3) . . ?
C63 Rh3 C62 39.0(4) . . ?
N8 Rh3 C62 97.8(4) . . ?
N9 Rh3 C62 123.0(3) . . ?
N6 Rh3 C62 144.9(3) . . ?
C65 Rh3 C62 64.4(4) . . ?
C63 Rh3 C61 64.7(3) . . ?
N8 Rh3 C61 127.2(4) . . ?
N9 Rh3 C61 95.4(3) . . ?
N6 Rh3 C61 155.3(4) . . ?
C65 Rh3 C61 38.2(4) . . ?
C62 Rh3 C61 38.6(3) . . ?
C63 Rh3 C64 38.6(3) . . ?
N8 Rh3 C64 135.5(3) . . ?
N9 Rh3 C64 135.9(3) . . ?
N6 Rh3 C64 95.3(3) . . ?
C65 Rh3 C64 37.5(3) . . ?
C62 Rh3 C64 64.3(4) . . ?
C61 Rh3 C64 63.5(4) . . ?
C74 Rh4 N7 156.4(4) . . ?
C74 Rh4 C75 39.3(4) . . ?
N7 Rh4 C75 117.9(3) . . ?
C74 Rh4 N10 115.0(4) . 2_755 ?
N7 Rh4 N10 86.5(3) . 2_755 ?
C75 Rh4 N10 153.9(4) . 2_755 ?
C74 Rh4 O7 93.9(3) . . ?
N7 Rh4 O7 76.8(3) . . ?
C75 Rh4 O7 89.1(3) . . ?
N10 Rh4 O7 88.0(2) 2_755 . ?
C74 Rh4 C72 65.6(4) . . ?
N7 Rh4 C72 115.2(3) . . ?
C75 Rh4 C72 64.5(3) . . ?
N10 Rh4 C72 115.1(3) 2_755 . ?
O7 Rh4 C72 153.6(3) . . ?
C74 Rh4 C71 66.8(4) . . ?
N7 Rh4 C71 98.9(3) . . ?
C75 Rh4 C71 39.7(4) . . ?
N10 Rh4 C71 152.1(3) 2_755 . ?
O7 Rh4 C71 119.9(3) . . ?
C72 Rh4 C71 38.1(3) . . ?
C74 Rh4 C73 38.8(4) . . ?
N7 Rh4 C73 152.6(3) . . ?
C75 Rh4 C73 64.3(4) . . ?
N10 Rh4 C73 98.6(3) 2_755 . ?
O7 Rh4 C73 130.1(3) . . ?
C72 Rh4 C73 38.5(3) . . ?
C71 Rh4 C73 64.8(4) . . ?
C2 N1 C1 106.5(7) . . ?
C2 N1 Rh1 141.7(6) . . ?
C1 N1 Rh1 110.6(5) . . ?
C1 N2 C3 105.5(7) . . ?
C1 N2 Rh2 143.6(6) . . ?
C3 N2 Rh2 110.6(5) . . ?
C8 N3 C4 118.9(8) . . ?
C8 N3 Rh1 124.7(6) . . ?
C4 N3 Rh1 116.3(6) . . ?
C11 N4 C15 118.2(7) . . ?
C11 N4 Rh1 120.9(6) . . ?
C15 N4 Rh1 120.4(6) . . ?
C20 N5 C16 116.8(8) . . ?
C20 N5 Rh2 121.0(7) . 2_666 ?
C16 N5 Rh2 122.1(5) . 2_666 ?
C42 N6 C41 106.6(7) . . ?
C42 N6 Rh3 139.1(6) . . ?
C41 N6 Rh3 111.9(6) . . ?
C41 N7 C43 103.7(8) . . ?
C41 N7 Rh4 143.0(6) . . ?
C43 N7 Rh4 112.9(6) . . ?
C44 N8 C48 117.6(8) . . ?
C44 N8 Rh3 116.8(6) . . ?
C48 N8 Rh3 125.5(6) . . ?
C55 N9 C51 117.5(9) . . ?
C55 N9 Rh3 122.8(7) . . ?
C51 N9 Rh3 119.7(7) . . ?
C60 N10 C56 116.2(8) . . ?
C60 N10 Rh4 123.3(6) . 2_755 ?
C56 N10 Rh4 120.5(6) . 2_755 ?
C10 O3 Rh2 116.3(6) . . ?
C50 O7 Rh4 116.5(6) . . ?
O11 S1 O9 116.8(6) . . ?
O11 S1 O10 113.7(6) . . ?
O9 S1 O10 114.8(6) . . ?
O11 S1 C81 102.1(5) . . ?
O9 S1 C81 103.4(5) . . ?
O10 S1 C81 103.5(6) . . ?
O12 S2 O13 116.0(5) . . ?
O12 S2 O14 114.2(5) . . ?
O13 S2 O14 114.6(6) . . ?
O12 S2 C82 102.5(7) . . ?
O13 S2 C82 103.9(7) . . ?
O14 S2 C82 103.1(7) . . ?
O17 S3 O15 119.5(8) . . ?
O17 S3 O16 111.8(8) . . ?
O15 S3 O16 115.8(8) . . ?
O17 S3 C83 99.2(9) . . ?
O15 S3 C83 99.6(8) . . ?
O16 S3 C83 107.8(7) . . ?
N2 C1 N1 111.7(7) . . ?
N2 C1 C4 129.1(8) . . ?
N1 C1 C4 119.0(8) . . ?
N1 C2 C3 108.1(8) . . ?
N1 C2 C9 121.8(8) . . ?
C3 C2 C9 130.1(8) . . ?
N2 C3 C2 108.1(7) . . ?
N2 C3 C10 119.4(9) . . ?
C2 C3 C10 132.4(9) . . ?
N3 C4 C5 122.0(9) . . ?
N3 C4 C1 114.0(8) . . ?
C5 C4 C1 123.9(8) . . ?
C4 C5 C6 120.9(9) . . ?
C5 C6 C7 114.8(9) . . ?
C8 C7 C6 120.6(9) . . ?
N3 C8 C7 122.7(8) . . ?
O2 C9 O1 120.5(9) . . ?
O2 C9 C2 121.9(8) . . ?
O1 C9 C2 117.6(9) . . ?
O4 C10 O3 123.3(8) . . ?
O4 C10 C3 122.0(9) . . ?
O3 C10 C3 114.7(9) . . ?
N4 C11 C12 122.1(8) . . ?
C11 C12 C13 120.4(9) . . ?
C14 C13 C12 116.8(8) . . ?
C14 C13 C18 120.6(8) . . ?
C12 C13 C18 122.5(9) . . ?
C13 C14 C15 121.5(9) . . ?
N4 C15 C14 120.9(8) . . ?
N5 C16 C17 123.3(8) . . ?
C18 C17 C16 117.1(9) . . ?
C19 C18 C17 119.3(9) . . ?
C19 C18 C13 119.7(8) . . ?
C17 C18 C13 121.1(8) . . ?
C18 C19 C20 120.1(9) . . ?
N5 C20 C19 123.1(10) . . ?
C22 C21 C25 105.8(7) . . ?
C22 C21 C26 129.9(8) . . ?
C25 C21 C26 124.0(8) . . ?
C22 C21 Rh1 70.9(5) . . ?
C25 C21 Rh1 72.8(5) . . ?
C26 C21 Rh1 125.1(6) . . ?
C23 C22 C21 111.3(8) . . ?
C23 C22 C27 126.1(8) . . ?
C21 C22 C27 122.6(7) . . ?
C23 C22 Rh1 71.8(5) . . ?
C21 C22 Rh1 70.4(5) . . ?
C27 C22 Rh1 127.0(6) . . ?
C22 C23 C24 108.5(8) . . ?
C22 C23 C28 126.1(10) . . ?
C24 C23 C28 125.1(9) . . ?
C22 C23 Rh1 71.0(5) . . ?
C24 C23 Rh1 71.5(5) . . ?
C28 C23 Rh1 128.3(6) . . ?
C23 C24 C25 106.6(7) . . ?
C23 C24 C29 126.6(9) . . ?
C25 C24 C29 126.7(9) . . ?
C23 C24 Rh1 70.0(5) . . ?
C25 C24 Rh1 71.4(5) . . ?
C29 C24 Rh1 126.8(6) . . ?
C21 C25 C24 107.6(7) . . ?
C21 C25 C30 127.1(8) . . ?
C24 C25 C30 125.1(8) . . ?
C21 C25 Rh1 68.4(5) . . ?
C24 C25 Rh1 69.6(5) . . ?
C30 C25 Rh1 131.4(6) . . ?
C35 C31 C32 110.2(8) . . ?
C35 C31 C36 124.4(9) . . ?
C32 C31 C36 125.4(9) . . ?
C35 C31 Rh2 71.9(5) . . ?
C32 C31 Rh2 70.5(5) . . ?
C36 C31 Rh2 124.4(7) . . ?
C33 C32 C31 107.4(8) . . ?
C33 C32 C37 129.0(9) . . ?
C31 C32 C37 123.6(9) . . ?
C33 C32 Rh2 70.6(5) . . ?
C31 C32 Rh2 70.8(5) . . ?
C37 C32 Rh2 122.5(6) . . ?
C32 C33 C34 107.4(9) . . ?
C32 C33 C38 127.6(9) . . ?
C34 C33 C38 124.5(9) . . ?
C32 C33 Rh2 70.6(5) . . ?
C34 C33 Rh2 71.4(5) . . ?
C38 C33 Rh2 129.5(6) . . ?
C35 C34 C33 106.8(9) . . ?
C35 C34 C39 127.3(9) . . ?
C33 C34 C39 125.2(9) . . ?
C35 C34 Rh2 70.2(5) . . ?
C33 C34 Rh2 69.1(5) . . ?
C39 C34 Rh2 133.3(6) . . ?
C31 C35 C34 108.2(8) . . ?
C31 C35 C40 127.8(10) . . ?
C34 C35 C40 124.0(10) . . ?
C31 C35 Rh2 70.7(5) . . ?
C34 C35 Rh2 71.0(5) . . ?
C40 C35 Rh2 126.1(7) . . ?
N7 C41 N6 112.0(8) . . ?
N7 C41 C44 128.5(9) . . ?
N6 C41 C44 119.5(8) . . ?
N6 C42 C43 107.8(8) . . ?
N6 C42 C49 122.6(9) . . ?
C43 C42 C49 129.2(9) . . ?
C42 C43 N7 109.9(8) . . ?
C42 C43 C50 132.5(10) . . ?
N7 C43 C50 117.6(9) . . ?
N8 C44 C45 122.3(9) . . ?
N8 C44 C41 112.9(8) . . ?
C45 C44 C41 124.6(9) . . ?
C44 C45 C46 120.6(10) . . ?
C45 C46 C47 117.7(10) . . ?
C48 C47 C46 120.3(10) . . ?
N8 C48 C47 121.2(9) . . ?
O6 C49 O5 119.2(9) . . ?
O6 C49 C42 123.6(9) . . ?
O5 C49 C42 117.2(9) . . ?
O8 C50 O7 121.4(9) . . ?
O8 C50 C43 124.1(11) . . ?
O7 C50 C43 114.5(10) . . ?
N9 C51 C52 122.2(11) . . ?
C51 C52 C53 121.3(11) . . ?
C54 C53 C52 114.0(9) . . ?
C54 C53 C58 124.2(9) . . ?
C52 C53 C58 121.7(10) . . ?
C55 C54 C53 122.4(10) . . ?
N9 C55 C54 122.4(10) . . ?
N10 C56 C57 122.8(8) . . ?
C56 C57 C58 117.6(9) . . ?
C57 C58 C59 119.5(9) . . ?
C57 C58 C53 120.2(9) . . ?
C59 C58 C53 119.5(8) . . ?
C60 C59 C58 116.5(9) . . ?
N10 C60 C59 126.5(10) . . ?
C65 C61 C62 107.9(9) . . ?
C65 C61 C66 124.5(9) . . ?
C62 C61 C66 127.5(10) . . ?
C65 C61 Rh3 70.5(5) . . ?
C62 C61 Rh3 70.6(6) . . ?
C66 C61 Rh3 126.8(7) . . ?
C63 C62 C61 106.3(10) . . ?
C63 C62 C67 128.8(10) . . ?
C61 C62 C67 124.8(10) . . ?
C63 C62 Rh3 68.2(5) . . ?
C61 C62 Rh3 70.8(6) . . ?
C67 C62 Rh3 128.4(8) . . ?
C64 C63 C62 109.1(9) . . ?
C64 C63 C68 126.5(10) . . ?
C62 C63 C68 123.7(10) . . ?
C64 C63 Rh3 74.1(5) . . ?
C62 C63 Rh3 72.8(5) . . ?
C68 C63 Rh3 127.1(7) . . ?
C65 C64 C63 106.9(9) . . ?
C65 C64 C69 129.0(10) . . ?
C63 C64 C69 124.1(9) . . ?
C65 C64 Rh3 69.7(5) . . ?
C63 C64 Rh3 67.3(5) . . ?
C69 C64 Rh3 127.2(7) . . ?
C64 C65 C61 109.4(9) . . ?
C64 C65 C70 126.5(10) . . ?
C61 C65 C70 123.4(9) . . ?
C64 C65 Rh3 72.8(5) . . ?
C61 C65 Rh3 71.3(6) . . ?
C70 C65 Rh3 129.9(6) . . ?
C72 C71 C76 126.3(10) . . ?
C72 C71 C75 105.7(8) . . ?
C76 C71 C75 128.0(10) . . ?
C72 C71 Rh4 70.5(5) . . ?
C76 C71 Rh4 124.2(7) . . ?
C75 C71 Rh4 69.0(5) . . ?
C71 C72 C73 109.9(8) . . ?
C71 C72 C77 123.9(8) . . ?
C73 C72 C77 124.8(8) . . ?
C71 C72 Rh4 71.4(5) . . ?
C73 C72 Rh4 71.4(5) . . ?
C77 C72 Rh4 134.8(6) . . ?
C74 C73 C72 108.1(9) . . ?
C74 C73 C78 124.7(9) . . ?
C72 C73 C78 127.2(9) . . ?
C74 C73 Rh4 67.9(5) . . ?
C72 C73 Rh4 70.1(5) . . ?
C78 C73 Rh4 126.6(7) . . ?
C73 C74 C75 107.2(9) . . ?
C73 C74 C79 127.8(11) . . ?
C75 C74 C79 124.7(11) . . ?
C73 C74 Rh4 73.3(5) . . ?
C75 C74 Rh4 71.6(6) . . ?
C79 C74 Rh4 124.8(7) . . ?
C74 C75 C71 108.8(9) . . ?
C74 C75 C80 126.2(10) . . ?
C71 C75 C80 124.7(10) . . ?
C74 C75 Rh4 69.0(5) . . ?
C71 C75 Rh4 71.2(5) . . ?
C80 C75 Rh4 121.4(6) . . ?
F2 C81 F3 109.9(13) . . ?
F2 C81 F1 104.5(12) . . ?
F3 C81 F1 104.4(11) . . ?
F2 C81 S1 114.8(10) . . ?
F3 C81 S1 110.4(9) . . ?
F1 C81 S1 112.2(9) . . ?
F5 C82 F6 110.1(15) . . ?
F5 C82 F4 103.4(14) . . ?
F6 C82 F4 106.8(14) . . ?
F5 C82 S2 111.4(12) . . ?
F6 C82 S2 111.1(12) . . ?
F4 C82 S2 113.7(12) . . ?
F7 C83 F9 109.3(15) . . ?
F7 C83 F8 112.0(16) . . ?
F9 C83 F8 107.0(13) . . ?
F7 C83 S3 112.3(12) . . ?
F9 C83 S3 108.8(14) . . ?
F8 C83 S3 107.3(12) . . ?
O18 S4 O20 121(3) . . ?
O18 S4 O19 110.9(18) . . ?
O20 S4 O19 119(2) . . ?
O18 S4 C84 101.2(18) . . ?
O20 S4 C84 97.1(15) . . ?
O19 S4 C84 101.9(17) . . ?
F10 C84 F11 110(3) . . ?
F10 C84 F12 104(3) . . ?
F11 C84 F12 111(3) . . ?
F10 C84 S4 110(2) . . ?
F11 C84 S4 110(2) . . ?
F12 C84 S4 111.3(19) . . ?
O18' S4' O19' 113(2) . . ?
O18' S4' O20' 125(2) . . ?
O19' S4' O20' 106(3) . . ?
O18' S4' C84' 102.6(13) . . ?
O19' S4' C84' 105.4(14) . . ?
O20' S4' C84' 103(3) . . ?
F12' C84' F11' 105(2) . . ?
F12' C84' F10' 104.5(19) . . ?
F11' C84' F10' 106.0(19) . . ?
F12' C84' S4' 114.1(17) . . ?
F11' C84' S4' 114.4(18) . . ?
F10' C84' S4' 111.9(15) . . ?

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
C3 N2 C1 N1 1.1(9) . . . . ?
Rh2 N2 C1 N1 -171.3(6) . . . . ?
C3 N2 C1 C4 -173.9(8) . . . . ?
Rh2 N2 C1 C4 13.7(16) . . . . ?
C2 N1 C1 N2 -3.1(9) . . . . ?
Rh1 N1 C1 N2 167.3(5) . . . . ?
C2 N1 C1 C4 172.5(7) . . . . ?
Rh1 N1 C1 C4 -17.2(9) . . . . ?
C1 N1 C2 C3 3.7(9) . . . . ?
Rh1 N1 C2 C3 -161.6(7) . . . . ?
C1 N1 C2 C9 -174.1(8) . . . . ?
Rh1 N1 C2 C9 20.6(14) . . . . ?
C1 N2 C3 C2 1.2(9) . . . . ?
Rh2 N2 C3 C2 176.4(5) . . . . ?
C1 N2 C3 C10 179.3(7) . . . . ?
Rh2 N2 C3 C10 -5.5(9) . . . . ?
N1 C2 C3 N2 -3.1(10) . . . . ?
C9 C2 C3 N2 174.4(8) . . . . ?
N1 C2 C3 C10 179.0(9) . . . . ?
C9 C2 C3 C10 -3.4(17) . . . . ?
C8 N3 C4 C5 0.7(13) . . . . ?
Rh1 N3 C4 C5 180.0(7) . . . . ?
C8 N3 C4 C1 -175.0(8) . . . . ?
Rh1 N3 C4 C1 4.3(9) . . . . ?
N2 C1 C4 N3 -176.2(8) . . . . ?
N1 C1 C4 N3 9.1(11) . . . . ?
N2 C1 C4 C5 8.1(15) . . . . ?
N1 C1 C4 C5 -166.5(8) . . . . ?
N3 C4 C5 C6 0.1(15) . . . . ?
C1 C4 C5 C6 175.4(9) . . . . ?
C4 C5 C6 C7 -2.1(15) . . . . ?
C5 C6 C7 C8 3.4(15) . . . . ?
C4 N3 C8 C7 0.8(14) . . . . ?
Rh1 N3 C8 C7 -178.5(7) . . . . ?
C6 C7 C8 N3 -2.9(16) . . . . ?
N1 C2 C9 O2 8.2(14) . . . . ?
C3 C2 C9 O2 -169.0(9) . . . . ?
N1 C2 C9 O1 -172.7(8) . . . . ?
C3 C2 C9 O1 10.1(15) . . . . ?
Rh2 O3 C10 O4 -171.3(7) . . . . ?
Rh2 O3 C10 C3 12.2(9) . . . . ?
N2 C3 C10 O4 179.1(8) . . . . ?
C2 C3 C10 O4 -3.3(15) . . . . ?
N2 C3 C10 O3 -4.4(12) . . . . ?
C2 C3 C10 O3 173.2(9) . . . . ?
C15 N4 C11 C12 2.4(14) . . . . ?
Rh1 N4 C11 C12 174.6(7) . . . . ?
N4 C11 C12 C13 -3.8(15) . . . . ?
C11 C12 C13 C14 3.2(14) . . . . ?
C11 C12 C13 C18 -173.7(9) . . . . ?
C12 C13 C14 C15 -1.4(15) . . . . ?
C18 C13 C14 C15 175.5(8) . . . . ?
C11 N4 C15 C14 -0.6(13) . . . . ?
Rh1 N4 C15 C14 -172.8(7) . . . . ?
C13 C14 C15 N4 0.1(15) . . . . ?
C20 N5 C16 C17 -4.8(14) . . . . ?
Rh2 N5 C16 C17 177.6(7) 2_666 . . . ?
N5 C16 C17 C18 1.0(14) . . . . ?
C16 C17 C18 C19 3.6(14) . . . . ?
C16 C17 C18 C13 -176.6(9) . . . . ?
C14 C13 C18 C19 -149.0(10) . . . . ?
C12 C13 C18 C19 27.7(14) . . . . ?
C14 C13 C18 C17 31.2(14) . . . . ?
C12 C13 C18 C17 -152.1(10) . . . . ?
C17 C18 C19 C20 -4.3(16) . . . . ?
C13 C18 C19 C20 175.9(9) . . . . ?
C16 N5 C20 C19 4.1(15) . . . . ?
Rh2 N5 C20 C19 -178.3(8) 2_666 . . . ?
C18 C19 C20 N5 0.3(17) . . . . ?
C25 C21 C22 C23 -4.6(9) . . . . ?
C26 C21 C22 C23 -179.3(9) . . . . ?
Rh1 C21 C22 C23 60.4(6) . . . . ?
C25 C21 C22 C27 172.9(8) . . . . ?
C26 C21 C22 C27 -1.8(14) . . . . ?
Rh1 C21 C22 C27 -122.1(8) . . . . ?
C25 C21 C22 Rh1 -65.0(5) . . . . ?
C26 C21 C22 Rh1 120.3(10) . . . . ?
C21 C22 C23 C24 2.5(10) . . . . ?
C27 C22 C23 C24 -175.0(8) . . . . ?
Rh1 C22 C23 C24 62.0(6) . . . . ?
C21 C22 C23 C28 176.4(8) . . . . ?
C27 C22 C23 C28 -1.1(14) . . . . ?
Rh1 C22 C23 C28 -124.1(9) . . . . ?
C21 C22 C23 Rh1 -59.5(6) . . . . ?
C27 C22 C23 Rh1 123.0(8) . . . . ?
C22 C23 C24 C25 0.7(10) . . . . ?
C28 C23 C24 C25 -173.2(8) . . . . ?
Rh1 C23 C24 C25 62.4(6) . . . . ?
C22 C23 C24 C29 176.7(8) . . . . ?
C28 C23 C24 C29 2.7(15) . . . . ?
Rh1 C23 C24 C29 -121.6(9) . . . . ?
C22 C23 C24 Rh1 -61.7(6) . . . . ?
C28 C23 C24 Rh1 124.3(9) . . . . ?
C22 C21 C25 C24 4.9(9) . . . . ?
C26 C21 C25 C24 -180.0(8) . . . . ?
Rh1 C21 C25 C24 -58.8(6) . . . . ?
C22 C21 C25 C30 -170.0(8) . . . . ?
C26 C21 C25 C30 5.0(14) . . . . ?
Rh1 C21 C25 C30 126.3(9) . . . . ?
C22 C21 C25 Rh1 63.7(5) . . . . ?
C26 C21 C25 Rh1 -121.2(9) . . . . ?
C23 C24 C25 C21 -3.6(9) . . . . ?
C29 C24 C25 C21 -179.5(8) . . . . ?
Rh1 C24 C25 C21 58.0(6) . . . . ?
C23 C24 C25 C30 171.5(8) . . . . ?
C29 C24 C25 C30 -4.4(14) . . . . ?
Rh1 C24 C25 C30 -126.9(8) . . . . ?
C23 C24 C25 Rh1 -61.5(6) . . . . ?
C29 C24 C25 Rh1 122.6(9) . . . . ?
C35 C31 C32 C33 0.2(10) . . . . ?
C36 C31 C32 C33 -179.8(8) . . . . ?
Rh2 C31 C32 C33 61.4(6) . . . . ?
C35 C31 C32 C37 -178.1(8) . . . . ?
C36 C31 C32 C37 2.0(14) . . . . ?
Rh2 C31 C32 C37 -116.9(8) . . . . ?
C35 C31 C32 Rh2 -61.2(6) . . . . ?
C36 C31 C32 Rh2 118.8(9) . . . . ?
C31 C32 C33 C34 0.8(9) . . . . ?
C37 C32 C33 C34 178.9(8) . . . . ?
Rh2 C32 C33 C34 62.3(5) . . . . ?
C31 C32 C33 C38 173.0(8) . . . . ?
C37 C32 C33 C38 -8.8(15) . . . . ?
Rh2 C32 C33 C38 -125.4(9) . . . . ?
C31 C32 C33 Rh2 -61.5(6) . . . . ?
C37 C32 C33 Rh2 116.6(9) . . . . ?
C32 C33 C34 C35 -1.4(9) . . . . ?
C38 C33 C34 C35 -174.0(8) . . . . ?
Rh2 C33 C34 C35 60.4(6) . . . . ?
C32 C33 C34 C39 169.2(8) . . . . ?
C38 C33 C34 C39 -3.3(13) . . . . ?
Rh2 C33 C34 C39 -129.0(9) . . . . ?
C32 C33 C34 Rh2 -61.8(6) . . . . ?
C38 C33 C34 Rh2 125.6(8) . . . . ?
C32 C31 C35 C34 -1.1(10) . . . . ?
C36 C31 C35 C34 178.8(8) . . . . ?
Rh2 C31 C35 C34 -61.4(6) . . . . ?
C32 C31 C35 C40 -178.5(9) . . . . ?
C36 C31 C35 C40 1.5(15) . . . . ?
Rh2 C31 C35 C40 121.2(10) . . . . ?
C32 C31 C35 Rh2 60.3(6) . . . . ?
C36 C31 C35 Rh2 -119.7(9) . . . . ?
C33 C34 C35 C31 1.6(10) . . . . ?
C39 C34 C35 C31 -168.8(8) . . . . ?
Rh2 C34 C35 C31 61.3(6) . . . . ?
C33 C34 C35 C40 179.0(8) . . . . ?
C39 C34 C35 C40 8.7(14) . . . . ?
Rh2 C34 C35 C40 -121.3(9) . . . . ?
C33 C34 C35 Rh2 -59.7(5) . . . . ?
C39 C34 C35 Rh2 129.9(9) . . . . ?
C43 N7 C41 N6 -2.3(10) . . . . ?
Rh4 N7 C41 N6 169.3(7) . . . . ?
C43 N7 C41 C44 176.8(8) . . . . ?
Rh4 N7 C41 C44 -11.6(16) . . . . ?
C42 N6 C41 N7 2.3(10) . . . . ?
Rh3 N6 C41 N7 -163.4(6) . . . . ?
C42 N6 C41 C44 -176.9(8) . . . . ?
Rh3 N6 C41 C44 17.4(9) . . . . ?
C41 N6 C42 C43 -1.3(10) . . . . ?
Rh3 N6 C42 C43 158.2(7) . . . . ?
C41 N6 C42 C49 171.9(8) . . . . ?
Rh3 N6 C42 C49 -28.7(14) . . . . ?
N6 C42 C43 N7 -0.1(10) . . . . ?
C49 C42 C43 N7 -172.7(9) . . . . ?
N6 C42 C43 C50 -178.9(9) . . . . ?
C49 C42 C43 C50 8.5(17) . . . . ?
C41 N7 C43 C42 1.5(10) . . . . ?
Rh4 N7 C43 C42 -173.1(6) . . . . ?
C41 N7 C43 C50 -179.6(8) . . . . ?
Rh4 N7 C43 C50 5.9(10) . . . . ?
C48 N8 C44 C45 -0.7(13) . . . . ?
Rh3 N8 C44 C45 -177.7(7) . . . . ?
C48 N8 C44 C41 174.7(7) . . . . ?
Rh3 N8 C44 C41 -2.2(9) . . . . ?
N7 C41 C44 N8 170.4(8) . . . . ?
N6 C41 C44 N8 -10.6(11) . . . . ?
N7 C41 C44 C45 -14.3(15) . . . . ?
N6 C41 C44 C45 164.8(9) . . . . ?
N8 C44 C45 C46 -2.6(15) . . . . ?
C41 C44 C45 C46 -177.5(9) . . . . ?
C44 C45 C46 C47 5.1(16) . . . . ?
C45 C46 C47 C48 -4.5(16) . . . . ?
C44 N8 C48 C47 1.3(13) . . . . ?
Rh3 N8 C48 C47 178.0(7) . . . . ?
C46 C47 C48 N8 1.3(15) . . . . ?
N6 C42 C49 O6 -7.0(15) . . . . ?
C43 C42 C49 O6 164.5(10) . . . . ?
N6 C42 C49 O5 174.0(9) . . . . ?
C43 C42 C49 O5 -14.4(15) . . . . ?
Rh4 O7 C50 O8 167.6(7) . . . . ?
Rh4 O7 C50 C43 -12.5(10) . . . . ?
C42 C43 C50 O8 2.9(17) . . . . ?
N7 C43 C50 O8 -175.8(9) . . . . ?
C42 C43 C50 O7 -177.0(9) . . . . ?
N7 C43 C50 O7 4.3(12) . . . . ?
C55 N9 C51 C52 -0.2(17) . . . . ?
Rh3 N9 C51 C52 -178.3(9) . . . . ?
N9 C51 C52 C53 2.9(19) . . . . ?
C51 C52 C53 C54 -4.4(17) . . . . ?
C51 C52 C53 C58 173.4(11) . . . . ?
C52 C53 C54 C55 3.5(18) . . . . ?
C58 C53 C54 C55 -174.1(11) . . . . ?
C51 N9 C55 C54 -0.7(16) . . . . ?
Rh3 N9 C55 C54 177.3(9) . . . . ?
C53 C54 C55 N9 -1.1(19) . . . . ?
C60 N10 C56 C57 9.4(16) . . . . ?
Rh4 N10 C56 C57 -171.2(8) 2_755 . . . ?
N10 C56 C57 C58 -5.9(16) . . . . ?
C56 C57 C58 C59 3.2(16) . . . . ?
C56 C57 C58 C53 173.0(10) . . . . ?
C54 C53 C58 C57 -19.6(17) . . . . ?
C52 C53 C58 C57 162.9(11) . . . . ?
C54 C53 C58 C59 150.1(12) . . . . ?
C52 C53 C58 C59 -27.4(17) . . . . ?
C57 C58 C59 C60 -4.1(18) . . . . ?
C53 C58 C59 C60 -174.0(11) . . . . ?
C56 N10 C60 C59 -10.9(18) . . . . ?
Rh4 N10 C60 C59 169.7(11) 2_755 . . . ?
C58 C59 C60 N10 8(2) . . . . ?
C65 C61 C62 C63 -1.7(11) . . . . ?
C66 C61 C62 C63 -178.7(10) . . . . ?
Rh3 C61 C62 C63 59.3(7) . . . . ?
C65 C61 C62 C67 175.2(10) . . . . ?
C66 C61 C62 C67 -1.9(17) . . . . ?
Rh3 C61 C62 C67 -123.9(10) . . . . ?
C65 C61 C62 Rh3 -60.9(7) . . . . ?
C66 C61 C62 Rh3 122.1(11) . . . . ?
C61 C62 C63 C64 4.9(11) . . . . ?
C67 C62 C63 C64 -171.7(10) . . . . ?
Rh3 C62 C63 C64 65.8(6) . . . . ?
C61 C62 C63 C68 175.6(9) . . . . ?
C67 C62 C63 C68 -1.0(17) . . . . ?
Rh3 C62 C63 C68 -123.5(10) . . . . ?
C61 C62 C63 Rh3 -60.9(7) . . . . ?
C67 C62 C63 Rh3 122.5(11) . . . . ?
C62 C63 C64 C65 -6.3(10) . . . . ?
C68 C63 C64 C65 -176.7(9) . . . . ?
Rh3 C63 C64 C65 58.6(6) . . . . ?
C62 C63 C64 C69 174.6(9) . . . . ?
C68 C63 C64 C69 4.2(15) . . . . ?
Rh3 C63 C64 C69 -120.5(9) . . . . ?
C62 C63 C64 Rh3 -64.9(7) . . . . ?
C68 C63 C64 Rh3 124.7(10) . . . . ?
C63 C64 C65 C61 5.2(10) . . . . ?
C69 C64 C65 C61 -175.7(9) . . . . ?
Rh3 C64 C65 C61 62.3(7) . . . . ?
C63 C64 C65 C70 175.6(9) . . . . ?
C69 C64 C65 C70 -5.3(16) . . . . ?
Rh3 C64 C65 C70 -127.3(10) . . . . ?
C63 C64 C65 Rh3 -57.1(6) . . . . ?
C69 C64 C65 Rh3 122.0(10) . . . . ?
C62 C61 C65 C64 -2.2(11) . . . . ?
C66 C61 C65 C64 174.9(9) . . . . ?
Rh3 C61 C65 C64 -63.3(7) . . . . ?
C62 C61 C65 C70 -173.0(9) . . . . ?
C66 C61 C65 C70 4.2(15) . . . . ?
Rh3 C61 C65 C70 126.0(9) . . . . ?
C62 C61 C65 Rh3 61.0(7) . . . . ?
C66 C61 C65 Rh3 -121.8(10) . . . . ?
C76 C71 C72 C73 -179.9(9) . . . . ?
C75 C71 C72 C73 1.0(9) . . . . ?
Rh4 C71 C72 C73 61.4(6) . . . . ?
C76 C71 C72 C77 -13.3(14) . . . . ?
C75 C71 C72 C77 167.6(7) . . . . ?
Rh4 C71 C72 C77 -132.0(8) . . . . ?
C76 C71 C72 Rh4 118.7(10) . . . . ?
C75 C71 C72 Rh4 -60.4(6) . . . . ?
C71 C72 C73 C74 -4.0(10) . . . . ?
C77 C72 C73 C74 -170.5(8) . . . . ?
Rh4 C72 C73 C74 57.4(6) . . . . ?
C71 C72 C73 C78 177.2(9) . . . . ?
C77 C72 C73 C78 10.7(13) . . . . ?
Rh4 C72 C73 C78 -121.4(9) . . . . ?
C71 C72 C73 Rh4 -61.4(6) . . . . ?
C77 C72 C73 Rh4 132.1(8) . . . . ?
C72 C73 C74 C75 5.3(10) . . . . ?
C78 C73 C74 C75 -175.8(9) . . . . ?
Rh4 C73 C74 C75 64.0(6) . . . . ?
C72 C73 C74 C79 179.9(9) . . . . ?
C78 C73 C74 C79 -1.3(16) . . . . ?
Rh4 C73 C74 C79 -121.5(11) . . . . ?
C72 C73 C74 Rh4 -58.7(6) . . . . ?
C78 C73 C74 Rh4 120.1(9) . . . . ?
C73 C74 C75 C71 -4.8(10) . . . . ?
C79 C74 C75 C71 -179.5(9) . . . . ?
Rh4 C74 C75 C71 60.4(6) . . . . ?
C73 C74 C75 C80 -179.4(9) . . . . ?
C79 C74 C75 C80 5.8(15) . . . . ?
Rh4 C74 C75 C80 -114.3(9) . . . . ?
C73 C74 C75 Rh4 -65.2(6) . . . . ?
C79 C74 C75 Rh4 120.1(10) . . . . ?
C72 C71 C75 C74 2.4(10) . . . . ?
C76 C71 C75 C74 -176.7(10) . . . . ?
Rh4 C71 C75 C74 -59.0(6) . . . . ?
C72 C71 C75 C80 177.1(8) . . . . ?
C76 C71 C75 C80 -1.9(15) . . . . ?
Rh4 C71 C75 C80 115.8(9) . . . . ?
C72 C71 C75 Rh4 61.4(6) . . . . ?
C76 C71 C75 Rh4 -117.7(10) . . . . ?
O11 S1 C81 F2 176.6(11) . . . . ?
O9 S1 C81 F2 -61.8(12) . . . . ?
O10 S1 C81 F2 58.3(12) . . . . ?
O11 S1 C81 F3 -58.5(10) . . . . ?
O9 S1 C81 F3 63.2(10) . . . . ?
O10 S1 C81 F3 -176.8(9) . . . . ?
O11 S1 C81 F1 57.5(10) . . . . ?
O9 S1 C81 F1 179.2(9) . . . . ?
O10 S1 C81 F1 -60.8(10) . . . . ?
O12 S2 C82 F5 -67.3(14) . . . . ?
O13 S2 C82 F5 53.9(14) . . . . ?
O14 S2 C82 F5 173.8(13) . . . . ?
O12 S2 C82 F6 55.8(13) . . . . ?
O13 S2 C82 F6 177.0(12) . . . . ?
O14 S2 C82 F6 -63.1(14) . . . . ?
O12 S2 C82 F4 176.3(11) . . . . ?
O13 S2 C82 F4 -62.5(12) . . . . ?
O14 S2 C82 F4 57.4(13) . . . . ?
O17 S3 C83 F7 67.5(14) . . . . ?
O15 S3 C83 F7 -170.3(13) . . . . ?
O16 S3 C83 F7 -49.1(14) . . . . ?
O17 S3 C83 F9 -53.6(13) . . . . ?
O15 S3 C83 F9 68.6(13) . . . . ?
O16 S3 C83 F9 -170.2(11) . . . . ?
O17 S3 C83 F8 -169.0(11) . . . . ?
O15 S3 C83 F8 -46.8(12) . . . . ?
O16 S3 C83 F8 74.4(13) . . . . ?
O18 S4 C84 F10 -67(3) . . . . ?
O20 S4 C84 F10 56(3) . . . . ?
O19 S4 C84 F10 178(2) . . . . ?
O18 S4 C84 F11 54(3) . . . . ?
O20 S4 C84 F11 178(3) . . . . ?
O19 S4 C84 F11 -60(2) . . . . ?
O18 S4 C84 F12 178(2) . . . . ?
O20 S4 C84 F12 -59(3) . . . . ?
O19 S4 C84 F12 63(2) . . . . ?
O18' S4' C84' F12' 177(2) . . . . ?
O19' S4' C84' F12' -65(3) . . . . ?
O20' S4' C84' F12' 46(3) . . . . ?
O18' S4' C84' F11' -62(2) . . . . ?
O19' S4' C84' F11' 56(3) . . . . ?
O20' S4' C84' F11' 167(3) . . . . ?
O18' S4' C84' F10' 58(2) . . . . ?
O19' S4' C84' F10' 177(3) . . . . ?
O20' S4' C84' F10' -73(2) . . . . ?

_refine_diff_density_max         1.342
_refine_diff_density_min         -1.453
_refine_diff_density_rms         0.158

####################################################################### 
# 
# 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_mo_70218a_0m
_database_code_depnum_ccdc_archive 'CCDC 1555973'
_audit_update_record             
;
2017-06-14 deposited with the CCDC.
2017-07-19 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C36 H41 F6 N5 O10 Rh2 S2'
_chemical_formula_weight         1087.68

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

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

_cell_length_a                   15.658(4)
_cell_length_b                   11.827(3)
_cell_length_c                   24.371(5)
_cell_angle_alpha                90
_cell_angle_beta                 105.898(4)
_cell_angle_gamma                90
_cell_volume                     4340.7(17)
_cell_formula_units_Z            4
_cell_measurement_temperature    223(2)
_cell_measurement_reflns_used    2647
_cell_measurement_theta_min      2.19
_cell_measurement_theta_max      21.98

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.664
_exptl_crystal_F_000             2192
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.180
_exptl_absorpt_coefficient_mu    0.941
_shelx_estimated_absorpt_T_min   0.799
_shelx_estimated_absorpt_T_max   0.849
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.613
_exptl_absorpt_correction_T_max  0.724
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      223(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            29099
_diffrn_reflns_av_unetI/netI     0.1245
_diffrn_reflns_av_R_equivalents  0.0984
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         1.352
_diffrn_reflns_theta_max         26.723
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             9110
_reflns_number_gt                4642
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          
; 
 One pentamethylcyclopentadienyl ligand (Cp* for short) was 
 disordered and it was divided into two parts (61:39). 19 
 ISOR and 6 DFIX instructions were used to restrain Cp* 
 fragments so that there were 120 restraints in the data. 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1064P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9110
_refine_ls_number_parameters     544
_refine_ls_number_restraints     120
_refine_ls_R_factor_all          0.1397
_refine_ls_R_factor_gt           0.0721
_refine_ls_wR_factor_ref         0.2048
_refine_ls_wR_factor_gt          0.1787
_refine_ls_goodness_of_fit_ref   0.946
_refine_ls_restrained_S_all      0.947
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.349 0.178 0.894 206 76 ' '
2 0.349 0.321 0.394 206 76 ' '
3 0.651 -0.179 0.106 205 76 ' '
4 0.651 -0.322 0.606 205 76 ' '
_platon_squeeze_void_probe_radius 1.20
_platon_squeeze_details          
; 
 In asymmetric unit of this data, there was one disordered 
 triflate anion which could not be restrained properly. 
 Therefore, SQUEEZE algorithm was used to omit it. 
;

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 0.01381(4) 0.21210(5) 0.18124(3) 0.03661(19) Uani 1 1 d . . . . .
Rh2 Rh 0.37701(4) 0.26433(6) 0.12881(3) 0.0522(2) Uani 1 1 d . . . . .
N1 N 0.1435(4) 0.1846(5) 0.1721(3) 0.0345(14) Uani 1 1 d . . . . .
N2 N 0.2847(4) 0.1872(5) 0.1677(3) 0.0406(16) Uani 1 1 d . . . . .
N3 N 0.2531(4) 0.2925(6) 0.0679(3) 0.0529(19) Uani 1 1 d . . . . .
N4 N -0.0341(4) 0.0925(6) 0.1176(3) 0.0449(16) Uani 1 1 d . . . . .
N5 N 0.3886(5) 0.1128(9) 0.0897(4) 0.076(3) Uani 1 1 d . . . . .
O1 O 0.0664(4) 0.0820(5) 0.2421(2) 0.0529(15) Uani 1 1 d . . . . .
O2 O 0.1888(4) 0.0074(6) 0.2940(3) 0.080(2) Uani 1 1 d . . . . .
O3 O 0.4313(4) 0.0670(6) 0.2381(3) 0.080(2) Uani 1 1 d . . . . .
O4 O 0.3501(5) 0.0038(7) 0.2913(4) 0.090(2) Uani 1 1 d . . . . .
H4 H 0.2964 0.0027 0.2897 0.135 Uiso 1 1 calc R U . . .
O5 O 0.8948(6) 0.1987(8) 0.9784(4) 0.136(4) Uani 1 1 d . . . . .
O6 O 0.8582(6) 0.3442(8) 0.9063(4) 0.120(3) Uani 1 1 d . . . . .
O7 O 0.7567(7) 0.2755(9) 0.9521(5) 0.147(4) Uani 1 1 d . . . . .
S1 S 0.83205(17) 0.2553(3) 0.93334(13) 0.0730(8) Uani 1 1 d . . . . .
F1 F 0.7693(5) 0.0550(7) 0.8994(3) 0.119(3) Uani 1 1 d . . . . .
F2 F 0.7390(8) 0.1781(10) 0.8375(4) 0.192(6) Uani 1 1 d . . . . .
F3 F 0.8666(7) 0.1102(8) 0.8643(5) 0.174(4) Uani 1 1 d . . . . .
C1 C 0.1941(5) 0.1233(6) 0.2167(3) 0.0419(19) Uani 1 1 d . . . . .
C2 C 0.2817(5) 0.1247(7) 0.2142(4) 0.045(2) Uani 1 1 d . . . . .
C3 C 0.2004(4) 0.2201(6) 0.1429(3) 0.0349(17) Uani 1 1 d . . . . .
C4 C 0.1494(5) 0.0676(6) 0.2541(4) 0.046(2) Uani 1 1 d . . . . .
C5 C 0.3618(6) 0.0627(7) 0.2490(4) 0.058(2) Uani 1 1 d . . . . .
C6 C 0.1802(5) 0.2714(6) 0.0867(3) 0.0380(18) Uani 1 1 d . . . . .
C7 C 0.0938(5) 0.2885(6) 0.0503(4) 0.0437(19) Uani 1 1 d . . . . .
H7 H 0.0433 0.2728 0.0628 0.052 Uiso 1 1 calc R U . . .
C8 C 0.0857(6) 0.3284(7) -0.0034(4) 0.054(2) Uani 1 1 d . . . . .
H8 H 0.0290 0.3426 -0.0279 0.064 Uiso 1 1 calc R U . . .
C9 C 0.1575(7) 0.3475(10) -0.0215(4) 0.074(3) Uani 1 1 d . . . . .
H9 H 0.1517 0.3769 -0.0581 0.088 Uiso 1 1 calc R U . . .
C10 C 0.2421(7) 0.3231(10) 0.0151(4) 0.075(3) Uani 1 1 d . . . . .
H10 H 0.2921 0.3290 0.0010 0.091 Uiso 1 1 calc R U . . .
C11 C -0.0100(11) 0.3914(13) 0.1671(8) 0.041(4) Uani 0.589(14) 1 d D U P A 1
C12 C -0.0883(9) 0.3322(14) 0.1524(8) 0.050(5) Uani 0.589(14) 1 d D U P A 1
C13 C -0.0927(12) 0.2795(15) 0.2055(9) 0.054(3) Uani 0.589(14) 1 d . U P A 1
C14 C -0.0205(11) 0.2987(15) 0.2492(7) 0.047(3) Uani 0.589(14) 1 d D U P A 1
C15 C 0.0351(11) 0.3714(14) 0.2283(7) 0.047(4) Uani 0.589(14) 1 d D U P A 1
C16 C 0.0279(18) 0.4749(14) 0.1323(9) 0.094(8) Uani 0.589(14) 1 d . U P A 1
H16A H 0.0172 0.4472 0.0935 0.140 Uiso 0.589(14) 1 calc R U P A 1
H16B H 0.0913 0.4827 0.1493 0.140 Uiso 0.589(14) 1 calc R U P A 1
H16C H -0.0006 0.5478 0.1319 0.140 Uiso 0.589(14) 1 calc R U P A 1
C17 C -0.1549(15) 0.3371(18) 0.0967(9) 0.102(8) Uani 0.589(14) 1 d . U P A 1
H17A H -0.1996 0.3930 0.0980 0.153 Uiso 0.589(14) 1 calc R U P A 1
H17B H -0.1827 0.2636 0.0878 0.153 Uiso 0.589(14) 1 calc R U P A 1
H17C H -0.1262 0.3579 0.0676 0.153 Uiso 0.589(14) 1 calc R U P A 1
C18 C -0.1740(12) 0.2154(17) 0.2105(11) 0.093(7) Uani 0.589(14) 1 d D U P A 1
H18A H -0.1616 0.1350 0.2124 0.139 Uiso 0.589(14) 1 calc R U P A 1
H18B H -0.2234 0.2312 0.1774 0.139 Uiso 0.589(14) 1 calc R U P A 1
H18C H -0.1891 0.2390 0.2448 0.139 Uiso 0.589(14) 1 calc R U P A 1
C19 C 0.0028(17) 0.264(2) 0.3097(7) 0.132(11) Uani 0.589(14) 1 d D U P A 1
H19A H 0.0399 0.3217 0.3330 0.197 Uiso 0.589(14) 1 calc R U P A 1
H19B H 0.0347 0.1930 0.3143 0.197 Uiso 0.589(14) 1 calc R U P A 1
H19C H -0.0510 0.2552 0.3217 0.197 Uiso 0.589(14) 1 calc R U P A 1
C20 C 0.1247(11) 0.4115(18) 0.2599(9) 0.086(7) Uani 0.589(14) 1 d D U P A 1
H20A H 0.1211 0.4518 0.2939 0.129 Uiso 0.589(14) 1 calc R U P A 1
H20B H 0.1475 0.4617 0.2357 0.129 Uiso 0.589(14) 1 calc R U P A 1
H20C H 0.1642 0.3472 0.2708 0.129 Uiso 0.589(14) 1 calc R U P A 1
C11' C 0.0192(9) 0.3887(10) 0.2001(7) 0.064(11) Uani 0.411(14) 1 d G U P A 2
C12' C -0.0489(9) 0.3754(11) 0.1482(6) 0.062(10) Uani 0.411(14) 1 d G U P A 2
C13' C -0.1169(8) 0.3070(11) 0.1595(5) 0.050(5) Uani 0.411(14) 1 d G . P A 2
C14' C -0.0908(8) 0.2780(11) 0.2184(5) 0.054(3) Uani 0.411(14) 1 d G . P A 2
C15' C -0.0067(9) 0.3285(11) 0.2435(6) 0.047(3) Uani 0.411(14) 1 d G . P A 2
C16' C 0.1042(12) 0.4551(15) 0.2078(10) 0.104(11) Uani 0.411(14) 1 d G U P A 2
H16D H 0.0997 0.5262 0.2267 0.156 Uiso 0.411(14) 1 calc R U P A 2
H16E H 0.1137 0.4701 0.1708 0.156 Uiso 0.411(14) 1 calc R U P A 2
H16F H 0.1537 0.4118 0.2309 0.156 Uiso 0.411(14) 1 calc R U P A 2
C17' C -0.0491(13) 0.4253(17) 0.0910(8) 0.095(11) Uani 0.411(14) 1 d G U P A 2
H17D H 0.0050 0.4684 0.0949 0.142 Uiso 0.411(14) 1 calc R U P A 2
H17E H -0.0522 0.3648 0.0636 0.142 Uiso 0.411(14) 1 calc R U P A 2
H17F H -0.1001 0.4746 0.0778 0.142 Uiso 0.411(14) 1 calc R U P A 2
C18' C -0.2020(10) 0.2713(17) 0.1164(7) 0.072(8) Uani 0.411(14) 1 d G U P A 2
H18D H -0.2447 0.3326 0.1106 0.108 Uiso 0.411(14) 1 calc R U P A 2
H18E H -0.2261 0.2053 0.1305 0.108 Uiso 0.411(14) 1 calc R U P A 2
H18F H -0.1897 0.2531 0.0805 0.108 Uiso 0.411(14) 1 calc R U P A 2
C19' C -0.1432(12) 0.2061(17) 0.2489(8) 0.064(8) Uani 0.411(14) 1 d G U P A 2
H19D H -0.1030 0.1709 0.2820 0.097 Uiso 0.411(14) 1 calc R U P A 2
H19E H -0.1750 0.1479 0.2233 0.097 Uiso 0.411(14) 1 calc R U P A 2
H19F H -0.1853 0.2532 0.2611 0.097 Uiso 0.411(14) 1 calc R U P A 2
C20' C 0.0460(14) 0.3197(18) 0.3054(7) 0.086(10) Uani 0.411(14) 1 d G U P A 2
H20D H 0.0136 0.2738 0.3259 0.129 Uiso 0.411(14) 1 calc R U P A 2
H20E H 0.1030 0.2849 0.3079 0.129 Uiso 0.411(14) 1 calc R U P A 2
H20F H 0.0551 0.3947 0.3221 0.129 Uiso 0.411(14) 1 calc R U P A 2
C21 C 0.4992(6) 0.3396(10) 0.1200(4) 0.065(3) Uani 1 1 d . . . . .
C22 C 0.4341(7) 0.4225(10) 0.1142(4) 0.071(3) Uani 1 1 d . . . . .
C23 C 0.4030(6) 0.4276(9) 0.1638(4) 0.063(3) Uani 1 1 d D . . . .
C24 C 0.4573(6) 0.3507(8) 0.2033(4) 0.059(3) Uani 1 1 d . . . . .
C25 C 0.5149(5) 0.2888(9) 0.1758(5) 0.068(3) Uani 1 1 d . . . . .
C26 C 0.5465(9) 0.3105(14) 0.0770(5) 0.119(5) Uani 1 1 d . . . . .
H26A H 0.5063 0.3182 0.0390 0.179 Uiso 1 1 calc R U . . .
H26B H 0.5675 0.2331 0.0828 0.179 Uiso 1 1 calc R U . . .
H26C H 0.5966 0.3610 0.0810 0.179 Uiso 1 1 calc R U . . .
C27 C 0.4076(8) 0.5064(12) 0.0662(5) 0.107(5) Uani 1 1 d . . . . .
H27A H 0.4424 0.5749 0.0765 0.160 Uiso 1 1 calc R U . . .
H27B H 0.3450 0.5241 0.0589 0.160 Uiso 1 1 calc R U . . .
H27C H 0.4184 0.4743 0.0321 0.160 Uiso 1 1 calc R U . . .
C28 C 0.3390(8) 0.5054(10) 0.1764(6) 0.110(5) Uani 1 1 d D . . . .
H28A H 0.3279 0.4845 0.2123 0.165 Uiso 1 1 calc R U . . .
H28B H 0.2839 0.5018 0.1461 0.165 Uiso 1 1 calc R U . . .
H28C H 0.3624 0.5817 0.1791 0.165 Uiso 1 1 calc R U . . .
C29 C 0.4554(8) 0.3329(10) 0.2649(4) 0.081(3) Uani 1 1 d . . . . .
H29A H 0.4782 0.3997 0.2872 0.122 Uiso 1 1 calc R U . . .
H29B H 0.4919 0.2682 0.2808 0.122 Uiso 1 1 calc R U . . .
H29C H 0.3947 0.3193 0.2660 0.122 Uiso 1 1 calc R U . . .
C30 C 0.5831(7) 0.2031(12) 0.2027(6) 0.108(5) Uani 1 1 d . . . . .
H30A H 0.6384 0.2410 0.2213 0.162 Uiso 1 1 calc R U . . .
H30B H 0.5925 0.1526 0.1735 0.162 Uiso 1 1 calc R U . . .
H30C H 0.5630 0.1600 0.2306 0.162 Uiso 1 1 calc R U . . .
C31 C 0.7935(10) 0.1468(15) 0.8801(7) 0.108(5) Uani 1 1 d . . . . .
C33 C -0.0639(6) 0.0355(7) 0.0812(4) 0.051(2) Uani 1 1 d . . . . .
C34 C -0.0983(7) -0.0474(9) 0.0344(4) 0.078(3) Uani 1 1 d . . . . .
H34A H -0.0502 -0.0722 0.0193 0.117 Uiso 1 1 calc R U . . .
H34B H -0.1442 -0.0121 0.0043 0.117 Uiso 1 1 calc R U . . .
H34C H -0.1231 -0.1121 0.0492 0.117 Uiso 1 1 calc R U . . .
C35 C 0.3942(6) 0.0267(12) 0.0693(5) 0.083(3) Uani 1 1 d . U . . .
C36 C 0.4001(9) -0.0767(12) 0.0376(7) 0.134(6) Uani 1 1 d . U . . .
H36A H 0.3440 -0.1169 0.0293 0.201 Uiso 1 1 calc R U . . .
H36B H 0.4470 -0.1245 0.0602 0.201 Uiso 1 1 calc R U . . .
H36C H 0.4133 -0.0574 0.0021 0.201 Uiso 1 1 calc 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 C13 2.075(16) . ?
Rh1 N4 2.081(7) . ?
Rh1 C12 2.110(15) . ?
Rh1 N1 2.128(6) . ?
Rh1 C11' 2.135(12) . ?
Rh1 C15' 2.136(14) . ?
Rh1 C14 2.137(17) . ?
Rh1 O1 2.139(5) . ?
Rh1 C11 2.165(15) . ?
Rh1 C15 2.183(17) . ?
Rh1 C12' 2.216(11) . ?
Rh1 C14' 2.218(12) . ?
Rh2 N5 2.061(9) . ?
Rh2 C23 2.106(9) . ?
Rh2 N3 2.122(7) . ?
Rh2 N2 2.139(6) . ?
Rh2 C22 2.145(10) . ?
Rh2 C24 2.161(8) . ?
Rh2 C25 2.168(8) . ?
Rh2 C21 2.174(9) . ?
N1 C3 1.350(9) . ?
N1 C1 1.366(9) . ?
N2 C3 1.350(8) . ?
N2 C2 1.362(10) . ?
N3 C10 1.301(11) . ?
N3 C6 1.364(9) . ?
N4 C33 1.110(10) . ?
N5 C35 1.147(13) . ?
O1 C4 1.262(9) . ?
O2 C4 1.227(9) . ?
O3 C5 1.189(11) . ?
O4 C5 1.299(11) . ?
O5 S1 1.424(9) . ?
O6 S1 1.362(8) . ?
O7 S1 1.398(10) . ?
S1 C31 1.808(15) . ?
F1 C31 1.281(16) . ?
F2 C31 1.207(17) . ?
F3 C31 1.375(15) . ?
C1 C2 1.390(10) . ?
C1 C4 1.450(11) . ?
C2 C5 1.499(11) . ?
C3 C6 1.451(11) . ?
C6 C7 1.414(10) . ?
C7 C8 1.366(11) . ?
C8 C9 1.333(12) . ?
C9 C10 1.410(13) . ?
C11 C12 1.372(16) . ?
C11 C15 1.48(2) . ?
C11 C16 1.52(2) . ?
C12 C13 1.45(2) . ?
C12 C17 1.47(2) . ?
C13 C14 1.34(2) . ?
C13 C18 1.51(2) . ?
C14 C15 1.414(16) . ?
C14 C19 1.477(16) . ?
C15 C20 1.48(2) . ?
C11' C15' 1.423(6) . ?
C11' C12' 1.423(6) . ?
C11' C16' 1.512(7) . ?
C12' C13' 1.423(6) . ?
C12' C17' 1.512(6) . ?
C13' C14' 1.423(6) . ?
C13' C18' 1.512(6) . ?
C14' C15' 1.423(6) . ?
C14' C19' 1.512(6) . ?
C15' C20' 1.512(6) . ?
C21 C22 1.394(15) . ?
C21 C25 1.446(14) . ?
C21 C26 1.479(13) . ?
C22 C23 1.424(13) . ?
C22 C27 1.503(16) . ?
C23 C24 1.424(13) . ?
C23 C28 1.453(12) . ?
C24 C25 1.458(13) . ?
C24 C29 1.525(13) . ?
C25 C30 1.488(16) . ?
C33 C34 1.489(13) . ?
C35 C36 1.464(16) . ?

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
C13 Rh1 N4 108.7(6) . . ?
C13 Rh1 C12 40.7(7) . . ?
N4 Rh1 C12 97.1(5) . . ?
C13 Rh1 N1 162.4(5) . . ?
N4 Rh1 N1 88.7(2) . . ?
C12 Rh1 N1 136.5(6) . . ?
N4 Rh1 C11' 144.1(4) . . ?
N1 Rh1 C11' 100.9(4) . . ?
N4 Rh1 C15' 150.9(4) . . ?
N1 Rh1 C15' 120.4(4) . . ?
C11' Rh1 C15' 38.9(3) . . ?
C13 Rh1 C14 37.1(6) . . ?
N4 Rh1 C14 142.0(5) . . ?
C12 Rh1 C14 66.9(6) . . ?
N1 Rh1 C14 127.2(5) . . ?
C13 Rh1 O1 105.4(5) . . ?
N4 Rh1 O1 91.1(2) . . ?
C12 Rh1 O1 145.9(6) . . ?
N1 Rh1 O1 76.4(2) . . ?
C11' Rh1 O1 124.7(4) . . ?
C15' Rh1 O1 94.3(4) . . ?
C14 Rh1 O1 86.5(4) . . ?
C13 Rh1 C11 63.4(6) . . ?
N4 Rh1 C11 122.4(5) . . ?
C12 Rh1 C11 37.4(5) . . ?
N1 Rh1 C11 105.1(4) . . ?
C14 Rh1 C11 65.5(6) . . ?
O1 Rh1 C11 146.3(5) . . ?
C13 Rh1 C15 62.5(7) . . ?
N4 Rh1 C15 161.8(4) . . ?
C12 Rh1 C15 65.6(6) . . ?
N1 Rh1 C15 100.0(5) . . ?
C14 Rh1 C15 38.2(4) . . ?
O1 Rh1 C15 106.4(5) . . ?
C11 Rh1 C15 39.9(6) . . ?
N4 Rh1 C12' 106.7(4) . . ?
N1 Rh1 C12' 115.8(4) . . ?
C11' Rh1 C12' 38.1(2) . . ?
C15' Rh1 C12' 63.8(4) . . ?
O1 Rh1 C12' 158.0(4) . . ?
N4 Rh1 C14' 112.8(4) . . ?
N1 Rh1 C14' 158.3(4) . . ?
C11' Rh1 C14' 63.8(4) . . ?
C15' Rh1 C14' 38.1(3) . . ?
O1 Rh1 C14' 99.0(4) . . ?
C12' Rh1 C14' 62.5(4) . . ?
N5 Rh2 C23 162.4(3) . . ?
N5 Rh2 N3 89.6(3) . . ?
C23 Rh2 N3 100.2(3) . . ?
N5 Rh2 N2 89.4(3) . . ?
C23 Rh2 N2 106.9(3) . . ?
N3 Rh2 N2 77.2(3) . . ?
N5 Rh2 C22 126.0(4) . . ?
C23 Rh2 C22 39.1(4) . . ?
N3 Rh2 C22 95.1(3) . . ?
N2 Rh2 C22 144.0(4) . . ?
N5 Rh2 C24 134.0(4) . . ?
C23 Rh2 C24 39.0(4) . . ?
N3 Rh2 C24 136.3(4) . . ?
N2 Rh2 C24 97.9(3) . . ?
C22 Rh2 C24 63.5(4) . . ?
N5 Rh2 C25 99.2(4) . . ?
C23 Rh2 C25 67.0(4) . . ?
N3 Rh2 C25 159.4(4) . . ?
N2 Rh2 C25 121.2(3) . . ?
C22 Rh2 C25 64.6(4) . . ?
C24 Rh2 C25 39.4(4) . . ?
N5 Rh2 C21 96.8(4) . . ?
C23 Rh2 C21 65.6(4) . . ?
N3 Rh2 C21 121.8(4) . . ?
N2 Rh2 C21 159.9(3) . . ?
C22 Rh2 C21 37.7(4) . . ?
C24 Rh2 C21 64.2(3) . . ?
C25 Rh2 C21 38.9(4) . . ?
C3 N1 C1 105.2(6) . . ?
C3 N1 Rh1 142.6(5) . . ?
C1 N1 Rh1 111.1(5) . . ?
C3 N2 C2 106.1(6) . . ?
C3 N2 Rh2 112.0(5) . . ?
C2 N2 Rh2 141.3(5) . . ?
C10 N3 C6 119.1(7) . . ?
C10 N3 Rh2 125.6(6) . . ?
C6 N3 Rh2 115.2(5) . . ?
C33 N4 Rh1 174.3(7) . . ?
C35 N5 Rh2 177.7(10) . . ?
C4 O1 Rh1 115.8(5) . . ?
O6 S1 O7 114.8(7) . . ?
O6 S1 O5 120.0(6) . . ?
O7 S1 O5 107.1(8) . . ?
O6 S1 C31 106.6(7) . . ?
O7 S1 C31 102.1(6) . . ?
O5 S1 C31 104.1(8) . . ?
N1 C1 C2 108.8(7) . . ?
N1 C1 C4 117.8(7) . . ?
C2 C1 C4 133.3(7) . . ?
N2 C2 C1 107.6(6) . . ?
N2 C2 C5 121.4(7) . . ?
C1 C2 C5 130.7(8) . . ?
N1 C3 N2 112.3(7) . . ?
N1 C3 C6 128.5(6) . . ?
N2 C3 C6 118.5(6) . . ?
O2 C4 O1 121.7(7) . . ?
O2 C4 C1 122.4(7) . . ?
O1 C4 C1 115.9(7) . . ?
O3 C5 O4 122.5(9) . . ?
O3 C5 C2 121.9(9) . . ?
O4 C5 C2 115.6(9) . . ?
N3 C6 C7 120.6(7) . . ?
N3 C6 C3 114.0(6) . . ?
C7 C6 C3 125.0(6) . . ?
C8 C7 C6 118.1(7) . . ?
C9 C8 C7 120.7(9) . . ?
C8 C9 C10 119.2(9) . . ?
N3 C10 C9 121.9(9) . . ?
C12 C11 C15 109.0(15) . . ?
C12 C11 C16 130.0(18) . . ?
C15 C11 C16 120.8(16) . . ?
C12 C11 Rh1 69.1(8) . . ?
C15 C11 Rh1 70.7(10) . . ?
C16 C11 Rh1 130.4(11) . . ?
C11 C12 C13 104.1(14) . . ?
C11 C12 C17 125.3(19) . . ?
C13 C12 C17 130.2(17) . . ?
C11 C12 Rh1 73.5(8) . . ?
C13 C12 Rh1 68.4(8) . . ?
C17 C12 Rh1 128.0(11) . . ?
C14 C13 C12 113.5(14) . . ?
C14 C13 C18 124.4(18) . . ?
C12 C13 C18 122.0(18) . . ?
C14 C13 Rh1 73.9(9) . . ?
C12 C13 Rh1 70.9(8) . . ?
C18 C13 Rh1 126.1(12) . . ?
C13 C14 C15 106.6(14) . . ?
C13 C14 C19 131.9(17) . . ?
C15 C14 C19 121.3(16) . . ?
C13 C14 Rh1 68.9(9) . . ?
C15 C14 Rh1 72.7(10) . . ?
C19 C14 Rh1 126.6(13) . . ?
C14 C15 C20 126.6(15) . . ?
C14 C15 C11 106.8(14) . . ?
C20 C15 C11 126.4(16) . . ?
C14 C15 Rh1 69.1(10) . . ?
C20 C15 Rh1 122.4(12) . . ?
C11 C15 Rh1 69.4(9) . . ?
C15' C11' C12' 108.0 . . ?
C15' C11' C16' 126.0 . . ?
C12' C11' C16' 126.0 . . ?
C15' C11' Rh1 70.6(4) . . ?
C12' C11' Rh1 74.0(4) . . ?
C16' C11' Rh1 121.1(4) . . ?
C13' C12' C11' 108.0 . . ?
C13' C12' C17' 126.0 . . ?
C11' C12' C17' 126.0 . . ?
C13' C12' Rh1 73.4(4) . . ?
C11' C12' Rh1 67.9(4) . . ?
C17' C12' Rh1 124.3(4) . . ?
C12' C13' C14' 108.0 . . ?
C12' C13' C18' 126.0 . . ?
C14' C13' C18' 126.0 . . ?
C12' C13' Rh1 69.6(4) . . ?
C14' C13' Rh1 69.7(4) . . ?
C18' C13' Rh1 126.3(4) . . ?
C15' C14' C13' 108.0 . . ?
C15' C14' C19' 126.0 . . ?
C13' C14' C19' 126.0 . . ?
C15' C14' Rh1 67.8(4) . . ?
C13' C14' Rh1 73.3(4) . . ?
C19' C14' Rh1 124.4(4) . . ?
C11' C15' C14' 108.0 . . ?
C11' C15' C20' 126.0 . . ?
C14' C15' C20' 126.0 . . ?
C11' C15' Rh1 70.5(4) . . ?
C14' C15' Rh1 74.1(4) . . ?
C20' C15' Rh1 121.2(4) . . ?
C22 C21 C25 108.5(8) . . ?
C22 C21 C26 125.9(11) . . ?
C25 C21 C26 125.5(11) . . ?
C22 C21 Rh2 70.0(5) . . ?
C25 C21 Rh2 70.3(5) . . ?
C26 C21 Rh2 126.8(8) . . ?
C21 C22 C23 110.8(9) . . ?
C21 C22 C27 125.5(11) . . ?
C23 C22 C27 123.3(12) . . ?
C21 C22 Rh2 72.3(6) . . ?
C23 C22 Rh2 69.0(5) . . ?
C27 C22 Rh2 131.8(7) . . ?
C22 C23 C24 105.5(9) . . ?
C22 C23 C28 128.4(11) . . ?
C24 C23 C28 125.5(10) . . ?
C22 C23 Rh2 71.9(6) . . ?
C24 C23 Rh2 72.6(6) . . ?
C28 C23 Rh2 126.7(7) . . ?
C23 C24 C25 109.9(9) . . ?
C23 C24 C29 125.7(9) . . ?
C25 C24 C29 124.4(10) . . ?
C23 C24 Rh2 68.4(5) . . ?
C25 C24 Rh2 70.6(5) . . ?
C29 C24 Rh2 126.7(6) . . ?
C21 C25 C24 104.9(9) . . ?
C21 C25 C30 127.8(10) . . ?
C24 C25 C30 126.9(10) . . ?
C21 C25 Rh2 70.7(5) . . ?
C24 C25 Rh2 70.1(5) . . ?
C30 C25 Rh2 129.2(8) . . ?
F2 C31 F1 111.5(14) . . ?
F2 C31 F3 107.6(13) . . ?
F1 C31 F3 100.9(14) . . ?
F2 C31 S1 114.7(14) . . ?
F1 C31 S1 114.3(10) . . ?
F3 C31 S1 106.5(10) . . ?
N4 C33 C34 175.5(10) . . ?
N5 C35 C36 173.9(15) . . ?

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
C3 N1 C1 C2 1.1(8) . . . . ?
Rh1 N1 C1 C2 -169.6(5) . . . . ?
C3 N1 C1 C4 -176.1(7) . . . . ?
Rh1 N1 C1 C4 13.2(8) . . . . ?
C3 N2 C2 C1 -1.1(8) . . . . ?
Rh2 N2 C2 C1 168.7(6) . . . . ?
C3 N2 C2 C5 173.1(7) . . . . ?
Rh2 N2 C2 C5 -17.0(13) . . . . ?
N1 C1 C2 N2 0.0(9) . . . . ?
C4 C1 C2 N2 176.6(8) . . . . ?
N1 C1 C2 C5 -173.5(8) . . . . ?
C4 C1 C2 C5 3.1(15) . . . . ?
C1 N1 C3 N2 -1.9(8) . . . . ?
Rh1 N1 C3 N2 163.7(6) . . . . ?
C1 N1 C3 C6 168.3(7) . . . . ?
Rh1 N1 C3 C6 -26.1(13) . . . . ?
C2 N2 C3 N1 1.9(8) . . . . ?
Rh2 N2 C3 N1 -171.3(5) . . . . ?
C2 N2 C3 C6 -169.3(6) . . . . ?
Rh2 N2 C3 C6 17.5(8) . . . . ?
Rh1 O1 C4 O2 169.4(7) . . . . ?
Rh1 O1 C4 C1 -12.6(9) . . . . ?
N1 C1 C4 O2 177.3(8) . . . . ?
C2 C1 C4 O2 1.0(15) . . . . ?
N1 C1 C4 O1 -0.7(11) . . . . ?
C2 C1 C4 O1 -177.0(8) . . . . ?
N2 C2 C5 O3 1.2(13) . . . . ?
C1 C2 C5 O3 174.0(9) . . . . ?
N2 C2 C5 O4 -178.4(8) . . . . ?
C1 C2 C5 O4 -5.6(14) . . . . ?
C10 N3 C6 C7 -3.5(12) . . . . ?
Rh2 N3 C6 C7 179.1(5) . . . . ?
C10 N3 C6 C3 170.1(8) . . . . ?
Rh2 N3 C6 C3 -7.2(8) . . . . ?
N1 C3 C6 N3 -176.8(7) . . . . ?
N2 C3 C6 N3 -7.2(10) . . . . ?
N1 C3 C6 C7 -3.5(12) . . . . ?
N2 C3 C6 C7 166.1(7) . . . . ?
N3 C6 C7 C8 -1.1(11) . . . . ?
C3 C6 C7 C8 -174.1(7) . . . . ?
C6 C7 C8 C9 1.9(13) . . . . ?
C7 C8 C9 C10 1.7(16) . . . . ?
C6 N3 C10 C9 7.4(15) . . . . ?
Rh2 N3 C10 C9 -175.6(8) . . . . ?
C8 C9 C10 N3 -6.6(17) . . . . ?
C15 C11 C12 C13 2.3(17) . . . . ?
C16 C11 C12 C13 -172.3(15) . . . . ?
Rh1 C11 C12 C13 61.9(9) . . . . ?
C15 C11 C12 C17 175.1(15) . . . . ?
C16 C11 C12 C17 1(3) . . . . ?
Rh1 C11 C12 C17 -125.2(16) . . . . ?
C15 C11 C12 Rh1 -59.7(12) . . . . ?
C16 C11 C12 Rh1 125.8(16) . . . . ?
C11 C12 C13 C14 -3.5(17) . . . . ?
C17 C12 C13 C14 -175.8(16) . . . . ?
Rh1 C12 C13 C14 62.0(12) . . . . ?
C11 C12 C13 C18 173.3(15) . . . . ?
C17 C12 C13 C18 1(2) . . . . ?
Rh1 C12 C13 C18 -121.2(16) . . . . ?
C11 C12 C13 Rh1 -65.5(10) . . . . ?
C17 C12 C13 Rh1 122.2(16) . . . . ?
C12 C13 C14 C15 3.1(18) . . . . ?
C18 C13 C14 C15 -173.6(16) . . . . ?
Rh1 C13 C14 C15 63.4(11) . . . . ?
C12 C13 C14 C19 178.9(18) . . . . ?
C18 C13 C14 C19 2(3) . . . . ?
Rh1 C13 C14 C19 -121(2) . . . . ?
C12 C13 C14 Rh1 -60.3(11) . . . . ?
C18 C13 C14 Rh1 123.0(17) . . . . ?
C13 C14 C15 C20 -176.5(17) . . . . ?
C19 C14 C15 C20 7(3) . . . . ?
Rh1 C14 C15 C20 -115.6(18) . . . . ?
C13 C14 C15 C11 -1.5(18) . . . . ?
C19 C14 C15 C11 -177.9(17) . . . . ?
Rh1 C14 C15 C11 59.4(12) . . . . ?
C13 C14 C15 Rh1 -60.9(11) . . . . ?
C19 C14 C15 Rh1 122.7(17) . . . . ?
C12 C11 C15 C14 -0.6(19) . . . . ?
C16 C11 C15 C14 174.6(13) . . . . ?
Rh1 C11 C15 C14 -59.3(12) . . . . ?
C12 C11 C15 C20 174.4(16) . . . . ?
C16 C11 C15 C20 -10(3) . . . . ?
Rh1 C11 C15 C20 115.7(18) . . . . ?
C12 C11 C15 Rh1 58.7(11) . . . . ?
C16 C11 C15 Rh1 -126.2(14) . . . . ?
C15' C11' C12' C13' 0.0 . . . . ?
C16' C11' C12' C13' 180.0 . . . . ?
Rh1 C11' C12' C13' 62.8(4) . . . . ?
C15' C11' C12' C17' 180.0 . . . . ?
C16' C11' C12' C17' 0.0 . . . . ?
Rh1 C11' C12' C17' -117.2(4) . . . . ?
C15' C11' C12' Rh1 -62.8(4) . . . . ?
C16' C11' C12' Rh1 117.2(4) . . . . ?
C11' C12' C13' C14' 0.0 . . . . ?
C17' C12' C13' C14' 180.0 . . . . ?
Rh1 C12' C13' C14' 59.3(4) . . . . ?
C11' C12' C13' C18' 180.0 . . . . ?
C17' C12' C13' C18' 0.0 . . . . ?
Rh1 C12' C13' C18' -120.7(4) . . . . ?
C11' C12' C13' Rh1 -59.3(4) . . . . ?
C17' C12' C13' Rh1 120.7(4) . . . . ?
C12' C13' C14' C15' 0.0 . . . . ?
C18' C13' C14' C15' 180.0 . . . . ?
Rh1 C13' C14' C15' 59.3(4) . . . . ?
C12' C13' C14' C19' 180.0 . . . . ?
C18' C13' C14' C19' 0.0 . . . . ?
Rh1 C13' C14' C19' -120.7(4) . . . . ?
C12' C13' C14' Rh1 -59.3(4) . . . . ?
C18' C13' C14' Rh1 120.7(4) . . . . ?
C12' C11' C15' C14' 0.0 . . . . ?
C16' C11' C15' C14' 180.0 . . . . ?
Rh1 C11' C15' C14' -65.1(4) . . . . ?
C12' C11' C15' C20' 180.0 . . . . ?
C16' C11' C15' C20' 0.0 . . . . ?
Rh1 C11' C15' C20' 114.9(4) . . . . ?
C12' C11' C15' Rh1 65.1(4) . . . . ?
C16' C11' C15' Rh1 -114.9(4) . . . . ?
C13' C14' C15' C11' 0.0 . . . . ?
C19' C14' C15' C11' 180.0 . . . . ?
Rh1 C14' C15' C11' 62.8(4) . . . . ?
C13' C14' C15' C20' 180.0 . . . . ?
C19' C14' C15' C20' 0.0 . . . . ?
Rh1 C14' C15' C20' -117.2(4) . . . . ?
C13' C14' C15' Rh1 -62.8(4) . . . . ?
C19' C14' C15' Rh1 117.2(4) . . . . ?
C25 C21 C22 C23 -1.7(11) . . . . ?
C26 C21 C22 C23 -180.0(10) . . . . ?
Rh2 C21 C22 C23 58.4(6) . . . . ?
C25 C21 C22 C27 170.8(9) . . . . ?
C26 C21 C22 C27 -7.5(17) . . . . ?
Rh2 C21 C22 C27 -129.2(10) . . . . ?
C25 C21 C22 Rh2 -60.1(6) . . . . ?
C26 C21 C22 Rh2 121.6(11) . . . . ?
C21 C22 C23 C24 5.0(10) . . . . ?
C27 C22 C23 C24 -167.6(9) . . . . ?
Rh2 C22 C23 C24 65.4(6) . . . . ?
C21 C22 C23 C28 176.7(10) . . . . ?
C27 C22 C23 C28 4.1(15) . . . . ?
Rh2 C22 C23 C28 -122.9(10) . . . . ?
C21 C22 C23 Rh2 -60.4(7) . . . . ?
C27 C22 C23 Rh2 127.0(9) . . . . ?
C22 C23 C24 C25 -6.4(9) . . . . ?
C28 C23 C24 C25 -178.5(9) . . . . ?
Rh2 C23 C24 C25 58.4(6) . . . . ?
C22 C23 C24 C29 174.6(8) . . . . ?
C28 C23 C24 C29 2.6(15) . . . . ?
Rh2 C23 C24 C29 -120.5(8) . . . . ?
C22 C23 C24 Rh2 -64.9(6) . . . . ?
C28 C23 C24 Rh2 123.1(10) . . . . ?
C22 C21 C25 C24 -2.3(10) . . . . ?
C26 C21 C25 C24 176.0(10) . . . . ?
Rh2 C21 C25 C24 -62.2(5) . . . . ?
C22 C21 C25 C30 -174.9(10) . . . . ?
C26 C21 C25 C30 3.4(17) . . . . ?
Rh2 C21 C25 C30 125.2(11) . . . . ?
C22 C21 C25 Rh2 59.9(7) . . . . ?
C26 C21 C25 Rh2 -121.8(11) . . . . ?
C23 C24 C25 C21 5.5(9) . . . . ?
C29 C24 C25 C21 -175.6(8) . . . . ?
Rh2 C24 C25 C21 62.6(6) . . . . ?
C23 C24 C25 C30 178.2(9) . . . . ?
C29 C24 C25 C30 -2.9(15) . . . . ?
Rh2 C24 C25 C30 -124.7(10) . . . . ?
C23 C24 C25 Rh2 -57.2(6) . . . . ?
C29 C24 C25 Rh2 121.8(8) . . . . ?
O6 S1 C31 F2 -51.8(13) . . . . ?
O7 S1 C31 F2 68.9(13) . . . . ?
O5 S1 C31 F2 -179.7(12) . . . . ?
O6 S1 C31 F1 177.6(11) . . . . ?
O7 S1 C31 F1 -61.7(14) . . . . ?
O5 S1 C31 F1 49.7(13) . . . . ?
O6 S1 C31 F3 67.1(13) . . . . ?
O7 S1 C31 F3 -172.2(11) . . . . ?
O5 S1 C31 F3 -60.8(12) . . . . ?

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
O4 H4 O2 0.83 1.72 2.544(10) 173.4 .

_refine_diff_density_max         0.810
_refine_diff_density_min         -0.750
_refine_diff_density_rms         0.138

####################################################################### 
# 
# 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_mo_60514a
_database_code_depnum_ccdc_archive 'CCDC 1555975'
_audit_update_record             
;
2017-06-14 deposited with the CCDC.
2017-07-19 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C120 H146 F18 N12 O33 Rh6 S6'
_chemical_formula_weight         3436.30

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

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

_cell_length_a                   21.867(5)
_cell_length_b                   26.493(6)
_cell_length_c                   27.213(6)
_cell_angle_alpha                90
_cell_angle_beta                 106.754(4)
_cell_angle_gamma                90
_cell_volume                     15096(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    4378
_cell_measurement_theta_min      2.20
_cell_measurement_theta_max      21.39

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.512
_exptl_crystal_F_000             6968
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.420
_exptl_crystal_size_mid          0.210
_exptl_crystal_size_min          0.180
_exptl_absorpt_coefficient_mu    0.817
_shelx_estimated_absorpt_T_min   0.725
_shelx_estimated_absorpt_T_max   0.867
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.617
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            49051
_diffrn_reflns_av_unetI/netI     0.1181
_diffrn_reflns_av_R_equivalents  0.0929
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_theta_min         1.240
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             14808
_reflns_number_gt                7283
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          
; 
 The imidazoledicarboxylate ligand was disordered and it was 
 divided into two parts (54:46). 40 ISOR, 4 SIMU and 29 DFIX 
 instructions were used to restrain ligand and Cp* fragments 
 so that there were 359 restraints in the data. Hydrogen of 
 water molecules could not be found and others were put in 
 calculated positions. 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1182P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         14808
_refine_ls_number_parameters     787
_refine_ls_number_restraints     359
_refine_ls_R_factor_all          0.1322
_refine_ls_R_factor_gt           0.0747
_refine_ls_wR_factor_ref         0.2334
_refine_ls_wR_factor_gt          0.2135
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_restrained_S_all      0.997
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.849 -0.098 0.052 6315 1982 ' '
2 0.556 0.248 0.192 17 3 ' '
3 0.444 0.248 0.308 17 3 ' '
4 0.056 0.252 0.692 17 3 ' '
5 0.944 0.252 0.808 17 3 ' '
6 0.056 0.748 0.192 17 3 ' '
7 0.944 0.748 0.308 17 3 ' '
8 0.556 0.752 0.692 17 3 ' '
9 0.444 0.752 0.808 17 3 ' '
_platon_squeeze_void_probe_radius 1.20
_platon_squeeze_details          
; 
 In asymmetric unit of this data, there were disordered 
 anions and solvents (three triflate anions, two methanol 
 and one water molecules) which could not be restrained 
 properly. Therefore, SQUEEZE algorithm was used to omit 
 them. 
;

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 0.23909(3) 0.32238(2) 0.30527(2) 0.0466(2) Uani 1 1 d . . . . .
Rh2 Rh 0.48883(3) 0.31180(3) 0.48580(2) 0.0493(2) Uani 1 1 d . . . . .
Rh3 Rh 0.34705(3) 0.11701(2) 0.38378(3) 0.0522(2) Uani 1 1 d . . . . .
N1 N 0.3775(6) 0.1844(5) 0.4181(5) 0.045(3) Uani 0.543(5) 1 d D U P A 1
N2 N 0.4258(6) 0.2528(4) 0.4539(4) 0.040(3) Uani 0.543(5) 1 d D U P A 1
N3 N 0.5255(7) 0.1583(6) 0.4802(7) 0.075(4) Uani 0.543(5) 1 d . U P A 1
O1 O 0.2771(11) 0.1676(7) 0.3358(8) 0.057(4) Uani 0.543(5) 1 d D U P A 1
O2 O 0.2510(10) 0.2430(11) 0.3226(9) 0.059(4) Uani 0.543(5) 1 d D U P A 1
O3 O 0.4078(5) 0.3507(4) 0.4332(4) 0.043(2) Uani 0.543(5) 1 d D U P A 1
O4 O 0.3215(5) 0.3426(5) 0.3706(4) 0.047(3) Uani 0.543(5) 1 d D U P A 1
C1 C 0.4274(10) 0.2030(6) 0.4542(9) 0.038(5) Uani 0.543(5) 1 d D U P A 1
C2 C 0.377(2) 0.2682(9) 0.4141(16) 0.042(6) Uani 0.543(5) 1 d D U P A 1
C3 C 0.3452(7) 0.2235(5) 0.3924(5) 0.040(4) Uani 0.543(5) 1 d D U P A 1
C4 C 0.2886(14) 0.2124(8) 0.3490(13) 0.052(4) Uani 0.543(5) 1 d D U P A 1
C5 C 0.3671(10) 0.3223(7) 0.4042(10) 0.039(5) Uani 0.543(5) 1 d D U P A 1
C6 C 0.4737(8) 0.1715(6) 0.4935(6) 0.059(4) Uani 0.543(5) 1 d D U P A 1
C7 C 0.4650(9) 0.1575(7) 0.5413(6) 0.078(5) Uani 0.543(5) 1 d D U P A 1
H7 H 0.4282 0.1695 0.5497 0.094 Uiso 0.543(5) 1 calc R U P A 1
C8 C 0.5090(9) 0.1261(7) 0.5776(8) 0.083(6) Uani 0.543(5) 1 d D U P A 1
H8 H 0.5050 0.1134 0.6092 0.100 Uiso 0.543(5) 1 calc R U P A 1
C9 C 0.5605(9) 0.1179(7) 0.5558(9) 0.090(6) Uani 0.543(5) 1 d D U P A 1
H9 H 0.5952 0.0990 0.5768 0.107 Uiso 0.543(5) 1 calc R U P A 1
C10 C 0.5678(10) 0.1323(7) 0.5111(8) 0.077(6) Uani 0.543(5) 1 d . U P A 1
H10 H 0.6053 0.1229 0.5023 0.093 Uiso 0.543(5) 1 calc R U P A 1
N1' N 0.3096(7) 0.3098(6) 0.3688(6) 0.043(4) Uani 0.457(5) 1 d D U P A 2
N2' N 0.3992(7) 0.3066(6) 0.4350(6) 0.045(4) Uani 0.457(5) 1 d D U P A 2
N3' N 0.3883(8) 0.4170(7) 0.3759(7) 0.084(6) Uani 0.457(5) 1 d D U P A 2
O1' O 0.2356(12) 0.2431(12) 0.3121(11) 0.054(5) Uani 0.457(5) 1 d D U P A 2
O2' O 0.2893(13) 0.1777(9) 0.3474(11) 0.065(5) Uani 0.457(5) 1 d D U P A 2
O3' O 0.4710(6) 0.2298(4) 0.4784(5) 0.047(3) Uani 0.457(5) 1 d D U P A 2
O4' O 0.4114(8) 0.1697(6) 0.4414(6) 0.061(4) Uani 0.457(5) 1 d D U P A 2
C1' C 0.3565(11) 0.3362(6) 0.4032(10) 0.032(5) Uani 0.457(5) 1 d D U P A 2
C2' C 0.380(2) 0.2569(13) 0.418(2) 0.046(6) Uani 0.457(5) 1 d D U P A 2
C3' C 0.3297(8) 0.2588(8) 0.3792(7) 0.048(5) Uani 0.457(5) 1 d D U P A 2
C4' C 0.2836(15) 0.2232(8) 0.3456(14) 0.044(4) Uani 0.457(5) 1 d D U P A 2
C5' C 0.4179(13) 0.2154(8) 0.4472(12) 0.036(5) Uani 0.457(5) 1 d D U P A 2
C6' C 0.3581(9) 0.3929(6) 0.4093(7) 0.057(5) Uani 0.457(5) 1 d D U P A 2
C7' C 0.3299(10) 0.4175(8) 0.4438(9) 0.088(7) Uani 0.457(5) 1 d D U P A 2
H7' H 0.3120 0.3975 0.4651 0.106 Uiso 0.457(5) 1 calc R U P A 2
C8' C 0.3274(10) 0.4715(7) 0.4475(9) 0.077(7) Uani 0.457(5) 1 d D U P A 2
H8' H 0.3080 0.4907 0.4685 0.093 Uiso 0.457(5) 1 calc R U P A 2
C9' C 0.3609(10) 0.4905(8) 0.4122(8) 0.076(7) Uani 0.457(5) 1 d D U P A 2
H9' H 0.3624 0.5263 0.4107 0.092 Uiso 0.457(5) 1 calc R U P A 2
C10' C 0.3904(12) 0.4672(8) 0.3809(11) 0.095(8) Uani 0.457(5) 1 d D U P A 2
H10' H 0.4128 0.4867 0.3625 0.115 Uiso 0.457(5) 1 calc R U P A 2
N4 N 0.3091(3) 0.3089(3) 0.2651(3) 0.0522(17) Uani 1 1 d . . . . .
N5 N 0.4799(3) 0.3046(3) 0.0811(3) 0.0552(18) Uani 1 1 d . . . . .
N6 N 0.4051(3) 0.1348(2) 0.3347(3) 0.0562(19) Uani 1 1 d . . . . .
C11 C 0.3565(4) 0.3397(3) 0.2689(3) 0.055(2) Uani 1 1 d . . . . .
H11 H 0.3655 0.3644 0.2954 0.065 Uiso 1 1 calc R U . . .
C12 C 0.3944(4) 0.3382(3) 0.2360(3) 0.058(2) Uani 1 1 d . . . . .
H12 H 0.4280 0.3620 0.2399 0.070 Uiso 1 1 calc R U . . .
C13 C 0.3839(4) 0.3025(3) 0.1978(4) 0.055(2) Uani 1 1 d . . . . .
C14 C 0.3349(5) 0.2707(3) 0.1951(4) 0.070(3) Uani 1 1 d . . . . .
H14 H 0.3256 0.2451 0.1696 0.084 Uiso 1 1 calc R U . . .
C15 C 0.2967(5) 0.2746(3) 0.2292(4) 0.063(3) Uani 1 1 d . . . . .
H15 H 0.2620 0.2520 0.2259 0.076 Uiso 1 1 calc R U . . .
C16 C 0.4825(4) 0.3423(4) 0.1129(3) 0.064(2) Uani 1 1 d . . . . .
H16 H 0.5069 0.3709 0.1091 0.076 Uiso 1 1 calc R U . . .
C17 C 0.4533(4) 0.3443(3) 0.1509(4) 0.061(2) Uani 1 1 d . . . . .
H17 H 0.4566 0.3736 0.1716 0.073 Uiso 1 1 calc R U . . .
C18 C 0.4186(4) 0.3025(3) 0.1589(3) 0.056(2) Uani 1 1 d . . . . .
C19 C 0.4178(5) 0.2602(4) 0.1265(4) 0.076(3) Uani 1 1 d . . . . .
H19 H 0.3968 0.2300 0.1312 0.091 Uiso 1 1 calc R U . . .
C20 C 0.4475(5) 0.2633(3) 0.0880(4) 0.068(3) Uani 1 1 d . . . . .
H20 H 0.4449 0.2353 0.0657 0.082 Uiso 1 1 calc R U . . .
C21 C 0.3802(5) 0.1410(4) 0.2833(4) 0.075(3) Uani 1 1 d . . . . .
H21 H 0.3351 0.1434 0.2698 0.090 Uiso 1 1 calc R U . . .
C22 C 0.4148(5) 0.1437(4) 0.2513(4) 0.072(3) Uani 1 1 d . . . . .
H22 H 0.3941 0.1474 0.2156 0.086 Uiso 1 1 calc R U . . .
C23 C 0.4796(4) 0.1415(3) 0.2679(4) 0.054(2) Uani 1 1 d . . . . .
C24 C 0.5068(5) 0.1370(3) 0.3196(4) 0.063(2) Uani 1 1 d . . . . .
H24 H 0.5520 0.1357 0.3330 0.075 Uiso 1 1 calc R U . . .
C25 C 0.4694(4) 0.1345(3) 0.3525(4) 0.061(2) Uani 1 1 d . . . . .
H25 H 0.4893 0.1326 0.3884 0.073 Uiso 1 1 calc R U . . .
C26 C 0.1427(4) 0.3275(4) 0.3038(4) 0.063(2) Uani 1 1 d D . . . .
C27 C 0.1754(4) 0.3716(3) 0.3289(3) 0.057(2) Uani 1 1 d . . . . .
C28 C 0.2003(4) 0.3970(3) 0.2939(4) 0.063(3) Uani 1 1 d . . . . .
C29 C 0.1809(5) 0.3693(5) 0.2466(4) 0.089(4) Uani 1 1 d . . . . .
C30 C 0.1461(5) 0.3274(4) 0.2526(4) 0.070(3) Uani 1 1 d D . . . .
C31 C 0.1818(6) 0.3887(5) 0.3824(4) 0.108(4) Uani 1 1 d . U . . .
H31A H 0.1457 0.4106 0.3825 0.161 Uiso 1 1 calc R U . . .
H31B H 0.2218 0.4076 0.3955 0.161 Uiso 1 1 calc R U . . .
H31C H 0.1822 0.3593 0.4043 0.161 Uiso 1 1 calc R U . . .
C32 C 0.2356(6) 0.4476(5) 0.3061(6) 0.127(5) Uani 1 1 d . U . . .
H32A H 0.2201 0.4706 0.2769 0.190 Uiso 1 1 calc R U . . .
H32B H 0.2815 0.4421 0.3124 0.190 Uiso 1 1 calc R U . . .
H32C H 0.2278 0.4625 0.3367 0.190 Uiso 1 1 calc R U . . .
C33 C 0.2004(7) 0.3888(6) 0.1965(5) 0.137(6) Uani 1 1 d . U . . .
H33A H 0.2034 0.3599 0.1749 0.206 Uiso 1 1 calc R U . . .
H33B H 0.2418 0.4061 0.2076 0.206 Uiso 1 1 calc R U . . .
H33C H 0.1678 0.4124 0.1769 0.206 Uiso 1 1 calc R U . . .
C34 C 0.1163(6) 0.2908(6) 0.2149(5) 0.116(5) Uani 1 1 d . . . . .
H34A H 0.0742 0.3032 0.1949 0.175 Uiso 1 1 calc R U . . .
H34B H 0.1114 0.2591 0.2318 0.175 Uiso 1 1 calc R U . . .
H34C H 0.1429 0.2851 0.1919 0.175 Uiso 1 1 calc R U . . .
C35 C 0.1082(5) 0.2901(5) 0.3282(5) 0.108(4) Uani 1 1 d . . . . .
H35A H 0.1330 0.2845 0.3640 0.162 Uiso 1 1 calc R U . . .
H35B H 0.1033 0.2581 0.3094 0.162 Uiso 1 1 calc R U . . .
H35C H 0.0660 0.3035 0.3269 0.162 Uiso 1 1 calc R U . . .
C36 C 0.5224(5) 0.3805(4) 0.5255(3) 0.062(2) Uani 1 1 d . . . . .
C37 C 0.4804(5) 0.3534(4) 0.5518(3) 0.062(2) Uani 1 1 d . . . . .
C38 C 0.5072(4) 0.3067(4) 0.5677(3) 0.062(2) Uani 1 1 d . . . . .
C39 C 0.5670(5) 0.3019(5) 0.5538(4) 0.078(3) Uani 1 1 d . . . . .
C40 C 0.5737(5) 0.3493(4) 0.5300(4) 0.075(3) Uani 1 1 d . . . . .
C41 C 0.5110(6) 0.4328(4) 0.5054(4) 0.098(4) Uani 1 1 d . . . . .
H41A H 0.5132 0.4561 0.5338 0.148 Uiso 1 1 calc R U . . .
H41B H 0.4686 0.4348 0.4805 0.148 Uiso 1 1 calc R U . . .
H41C H 0.5436 0.4419 0.4887 0.148 Uiso 1 1 calc R U . . .
C42 C 0.4230(5) 0.3702(5) 0.5603(4) 0.094(4) Uani 1 1 d . . . . .
H42A H 0.3906 0.3437 0.5504 0.141 Uiso 1 1 calc R U . . .
H42B H 0.4079 0.4005 0.5397 0.141 Uiso 1 1 calc R U . . .
H42C H 0.4307 0.3783 0.5967 0.141 Uiso 1 1 calc R U . . .
C43 C 0.4848(6) 0.2685(4) 0.5965(4) 0.099(4) Uani 1 1 d . . . . .
H43A H 0.4952 0.2787 0.6326 0.149 Uiso 1 1 calc R U . . .
H43B H 0.5056 0.2363 0.5939 0.149 Uiso 1 1 calc R U . . .
H43C H 0.4384 0.2648 0.5825 0.149 Uiso 1 1 calc R U . . .
C44 C 0.6128(6) 0.2594(5) 0.5643(5) 0.126(5) Uani 1 1 d . . . . .
H44A H 0.6359 0.2588 0.5384 0.189 Uiso 1 1 calc R U . . .
H44B H 0.5896 0.2275 0.5632 0.189 Uiso 1 1 calc R U . . .
H44C H 0.6433 0.2636 0.5984 0.189 Uiso 1 1 calc R U . . .
C45 C 0.6305(6) 0.3635(6) 0.5083(5) 0.125(5) Uani 1 1 d . . . . .
H45A H 0.6137 0.3786 0.4741 0.187 Uiso 1 1 calc R U . . .
H45B H 0.6549 0.3331 0.5058 0.187 Uiso 1 1 calc R U . . .
H45C H 0.6585 0.3878 0.5313 0.187 Uiso 1 1 calc R U . . .
C46 C 0.2928(5) 0.0529(3) 0.3538(4) 0.064(3) Uani 1 1 d . . . . .
C47 C 0.3543(6) 0.0377(4) 0.3740(6) 0.083(3) Uani 1 1 d . . . . .
C48 C 0.3778(6) 0.0499(4) 0.4257(6) 0.081(3) Uani 1 1 d . . . . .
C49 C 0.3258(7) 0.0708(4) 0.4409(4) 0.083(3) Uani 1 1 d . . . . .
C50 C 0.2727(6) 0.0736(4) 0.3950(6) 0.095(4) Uani 1 1 d . . . . .
C51 C 0.2535(7) 0.0447(6) 0.3011(6) 0.134(5) Uani 1 1 d . . . . .
H51A H 0.2327 0.0765 0.2870 0.201 Uiso 1 1 calc R U . . .
H51B H 0.2208 0.0192 0.3007 0.201 Uiso 1 1 calc R U . . .
H51C H 0.2804 0.0329 0.2802 0.201 Uiso 1 1 calc R U . . .
C52 C 0.3949(8) 0.0131(5) 0.3455(7) 0.145(6) Uani 1 1 d . . . . .
H52A H 0.3951 -0.0235 0.3509 0.217 Uiso 1 1 calc R U . . .
H52B H 0.4386 0.0261 0.3581 0.217 Uiso 1 1 calc R U . . .
H52C H 0.3778 0.0205 0.3088 0.217 Uiso 1 1 calc R U . . .
C53 C 0.4431(6) 0.0375(5) 0.4593(5) 0.113(5) Uani 1 1 d . . . . .
H53A H 0.4748 0.0462 0.4415 0.170 Uiso 1 1 calc R U . . .
H53B H 0.4457 0.0013 0.4671 0.170 Uiso 1 1 calc R U . . .
H53C H 0.4517 0.0568 0.4913 0.170 Uiso 1 1 calc R U . . .
C54 C 0.3177(10) 0.0900(6) 0.4913(6) 0.168(7) Uani 1 1 d . U . . .
H54A H 0.2791 0.1108 0.4844 0.253 Uiso 1 1 calc R U . . .
H54B H 0.3549 0.1103 0.5091 0.253 Uiso 1 1 calc R U . . .
H54C H 0.3138 0.0612 0.5128 0.253 Uiso 1 1 calc R U . . .
C55 C 0.2033(7) 0.0927(5) 0.3906(7) 0.151(6) Uani 1 1 d . U . . .
H55A H 0.1962 0.0920 0.4245 0.227 Uiso 1 1 calc R U . . .
H55B H 0.1721 0.0707 0.3671 0.227 Uiso 1 1 calc R U . . .
H55C H 0.1982 0.1273 0.3773 0.227 Uiso 1 1 calc R U . . .
O14 O 0.0000 0.9381(5) 0.2500 0.165(6) Uani 1 2 d S TU P . .


_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' 1.985(14) . ?
Rh1 C26 2.102(8) . ?
Rh1 O1' 2.11(3) . ?
Rh1 C30 2.127(10) . ?
Rh1 C29 2.131(9) . ?
Rh1 C27 2.137(8) . ?
Rh1 C28 2.138(8) . ?
Rh1 N4 2.152(7) . ?
Rh1 O2 2.16(3) . ?
Rh1 O4 2.200(11) . ?
Rh2 N2' 2.052(15) . ?
Rh2 N2 2.099(12) . ?
Rh2 N5 2.130(7) 2_655 ?
Rh2 C36 2.135(9) . ?
Rh2 C40 2.142(9) . ?
Rh2 C39 2.143(9) . ?
Rh2 C38 2.151(8) . ?
Rh2 C37 2.160(9) . ?
Rh2 O3 2.188(10) . ?
Rh2 O3' 2.207(11) . ?
Rh3 N1 2.036(12) . ?
Rh3 C50 2.084(10) . ?
Rh3 C46 2.098(9) . ?
Rh3 O2' 2.11(3) . ?
Rh3 C48 2.115(10) . ?
Rh3 C47 2.129(10) . ?
Rh3 C49 2.132(9) . ?
Rh3 N6 2.144(7) . ?
Rh3 O1 2.17(2) . ?
Rh3 O4' 2.263(18) . ?
N1 C1 1.332(16) . ?
N1 C3 1.332(15) . ?
N2 C1 1.319(15) . ?
N2 C2 1.350(18) . ?
N3 C10 1.26(2) . ?
N3 C6 1.33(2) . ?
O1 C4 1.24(2) . ?
O2 C4 1.23(2) . ?
O3 C5 1.253(17) . ?
O4 C5 1.264(18) . ?
C1 C6 1.498(16) . ?
C2 C3 1.41(3) . ?
C2 C5 1.462(18) . ?
C3 C4 1.473(17) . ?
C6 C7 1.419(16) . ?
C7 C8 1.431(16) . ?
C8 C9 1.432(17) . ?
C9 C10 1.33(3) . ?
N1' C1' 1.365(17) . ?
N1' C3' 1.43(3) . ?
N2' C1' 1.332(16) . ?
N2' C2' 1.41(4) . ?
N3' C10' 1.335(17) . ?
N3' C6' 1.421(16) . ?
O1' C4' 1.29(2) . ?
O2' C4' 1.21(2) . ?
O3' C5' 1.28(2) . ?
O4' C5' 1.22(2) . ?
C1' C6' 1.510(16) . ?
C2' C3' 1.30(4) . ?
C2' C5' 1.459(18) . ?
C3' C4' 1.487(17) . ?
C6' C7' 1.421(17) . ?
C7' C8' 1.438(17) . ?
C8' C9' 1.456(17) . ?
C9' C10' 1.35(3) . ?
N4 C11 1.301(10) . ?
N4 C15 1.303(10) . ?
N5 C16 1.313(11) . ?
N5 C20 1.345(11) . ?
N5 Rh2 2.130(7) 2_655 ?
N6 C25 1.348(11) . ?
N6 C21 1.357(12) . ?
C11 C12 1.386(11) . ?
C12 C13 1.374(12) . ?
C13 C14 1.349(12) . ?
C13 C18 1.468(11) . ?
C14 C15 1.420(11) . ?
C16 C17 1.364(12) . ?
C17 C18 1.396(12) . ?
C18 C19 1.422(12) . ?
C19 C20 1.385(12) . ?
C21 C22 1.312(12) . ?
C22 C23 1.360(12) . ?
C23 C24 1.366(12) . ?
C23 C23 1.497(16) 2_655 ?
C24 C25 1.376(12) . ?
C26 C30 1.417(11) . ?
C26 C27 1.434(12) . ?
C26 C35 1.509(14) . ?
C27 C28 1.396(12) . ?
C27 C31 1.493(13) . ?
C28 C29 1.437(15) . ?
C28 C32 1.536(15) . ?
C29 C30 1.381(15) . ?
C29 C33 1.625(16) . ?
C30 C34 1.426(15) . ?
C36 C40 1.368(14) . ?
C36 C41 1.484(13) . ?
C36 C37 1.501(12) . ?
C37 C38 1.382(13) . ?
C37 C42 1.412(13) . ?
C38 C43 1.450(12) . ?
C38 C39 1.466(13) . ?
C39 C40 1.440(14) . ?
C39 C44 1.480(15) . ?
C40 C45 1.569(15) . ?
C46 C47 1.357(15) . ?
C46 C50 1.427(15) . ?
C46 C51 1.461(17) . ?
C47 C48 1.388(17) . ?
C47 C52 1.489(16) . ?
C48 C49 1.429(15) . ?
C48 C53 1.494(15) . ?
C49 C50 1.442(17) . ?
C49 C54 1.521(16) . ?
C50 C55 1.571(16) . ?

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 C26 123.4(5) . . ?
N1' Rh1 O1' 78.2(7) . . ?
C26 Rh1 O1' 90.3(8) . . ?
N1' Rh1 C30 161.6(5) . . ?
C26 Rh1 C30 39.2(3) . . ?
O1' Rh1 C30 94.0(6) . . ?
N1' Rh1 C29 153.7(6) . . ?
C26 Rh1 C29 64.5(4) . . ?
O1' Rh1 C29 128.0(7) . . ?
C30 Rh1 C29 37.8(4) . . ?
N1' Rh1 C27 104.5(5) . . ?
C26 Rh1 C27 39.5(3) . . ?
O1' Rh1 C27 122.5(9) . . ?
C30 Rh1 C27 65.5(4) . . ?
C29 Rh1 C27 64.5(4) . . ?
N1' Rh1 C28 117.2(6) . . ?
C26 Rh1 C28 65.3(3) . . ?
O1' Rh1 C28 155.4(8) . . ?
C30 Rh1 C28 65.3(4) . . ?
C29 Rh1 C28 39.4(4) . . ?
C27 Rh1 C28 38.1(3) . . ?
N1' Rh1 N4 85.8(5) . . ?
C26 Rh1 N4 149.1(3) . . ?
O1' Rh1 N4 85.9(9) . . ?
C30 Rh1 N4 110.4(3) . . ?
C29 Rh1 N4 94.3(3) . . ?
C27 Rh1 N4 151.0(3) . . ?
C28 Rh1 N4 113.1(3) . . ?
C26 Rh1 O2 97.2(7) . . ?
C30 Rh1 O2 103.9(6) . . ?
C29 Rh1 O2 137.9(7) . . ?
C27 Rh1 O2 125.3(7) . . ?
C28 Rh1 O2 162.1(7) . . ?
N4 Rh1 O2 83.7(7) . . ?
C26 Rh1 O4 125.6(4) . . ?
C30 Rh1 O4 158.4(4) . . ?
C29 Rh1 O4 129.5(5) . . ?
C27 Rh1 O4 93.5(4) . . ?
C28 Rh1 O4 95.2(4) . . ?
N4 Rh1 O4 85.1(3) . . ?
O2 Rh1 O4 92.3(6) . . ?
N2' Rh2 N5 84.1(5) . 2_655 ?
N2 Rh2 N5 85.0(4) . 2_655 ?
N2' Rh2 C36 121.4(5) . . ?
N2 Rh2 C36 158.9(4) . . ?
N5 Rh2 C36 111.1(3) 2_655 . ?
N2' Rh2 C40 156.1(5) . . ?
N2 Rh2 C40 159.5(5) . . ?
N5 Rh2 C40 94.8(4) 2_655 . ?
C36 Rh2 C40 37.3(4) . . ?
N2' Rh2 C39 160.5(5) . . ?
N2 Rh2 C39 122.1(4) . . ?
N5 Rh2 C39 110.8(4) 2_655 . ?
C36 Rh2 C39 66.1(4) . . ?
C40 Rh2 C39 39.3(4) . . ?
N2' Rh2 C38 123.4(5) . . ?
N2 Rh2 C38 106.7(4) . . ?
N5 Rh2 C38 150.4(3) 2_655 . ?
C36 Rh2 C38 66.1(4) . . ?
C40 Rh2 C38 64.8(4) . . ?
C39 Rh2 C38 39.9(4) . . ?
N2' Rh2 C37 107.5(5) . . ?
N2 Rh2 C37 121.4(4) . . ?
N5 Rh2 C37 151.9(3) 2_655 . ?
C36 Rh2 C37 40.9(3) . . ?
C40 Rh2 C37 64.2(4) . . ?
C39 Rh2 C37 65.3(4) . . ?
C38 Rh2 C37 37.4(3) . . ?
N2 Rh2 O3 76.6(4) . . ?
N5 Rh2 O3 83.2(3) 2_655 . ?
C36 Rh2 O3 91.5(4) . . ?
C40 Rh2 O3 123.8(4) . . ?
C39 Rh2 O3 156.5(4) . . ?
C38 Rh2 O3 125.6(4) . . ?
C37 Rh2 O3 93.3(4) . . ?
N2' Rh2 O3' 76.3(5) . . ?
N5 Rh2 O3' 85.7(4) 2_655 . ?
C36 Rh2 O3' 155.6(4) . . ?
C40 Rh2 O3' 127.5(5) . . ?
C39 Rh2 O3' 91.9(5) . . ?
C38 Rh2 O3' 90.5(4) . . ?
C37 Rh2 O3' 121.5(4) . . ?
N1 Rh3 C50 125.6(5) . . ?
N1 Rh3 C46 164.2(5) . . ?
C50 Rh3 C46 39.9(4) . . ?
C50 Rh3 O2' 95.9(9) . . ?
C46 Rh3 O2' 103.9(7) . . ?
N1 Rh3 C48 118.6(5) . . ?
C50 Rh3 C48 66.3(5) . . ?
C46 Rh3 C48 65.5(4) . . ?
O2' Rh3 C48 161.7(9) . . ?
N1 Rh3 C47 153.7(6) . . ?
C50 Rh3 C47 64.1(4) . . ?
C46 Rh3 C47 37.5(4) . . ?
O2' Rh3 C47 138.6(7) . . ?
C48 Rh3 C47 38.2(5) . . ?
N1 Rh3 C49 106.3(4) . . ?
C50 Rh3 C49 40.0(5) . . ?
C46 Rh3 C49 66.5(4) . . ?
O2' Rh3 C49 123.6(10) . . ?
C48 Rh3 C49 39.3(4) . . ?
C47 Rh3 C49 64.1(4) . . ?
N1 Rh3 N6 85.3(4) . . ?
C50 Rh3 N6 147.1(4) . . ?
C46 Rh3 N6 107.8(3) . . ?
O2' Rh3 N6 85.5(9) . . ?
C48 Rh3 N6 111.6(4) . . ?
C47 Rh3 N6 93.5(4) . . ?
C49 Rh3 N6 150.8(4) . . ?
N1 Rh3 O1 79.4(6) . . ?
C50 Rh3 O1 89.1(7) . . ?
C46 Rh3 O1 92.6(5) . . ?
C48 Rh3 O1 154.8(6) . . ?
C47 Rh3 O1 126.9(6) . . ?
C49 Rh3 O1 122.0(8) . . ?
N6 Rh3 O1 86.0(7) . . ?
C50 Rh3 O4' 126.5(6) . . ?
C46 Rh3 O4' 159.8(5) . . ?
O2' Rh3 O4' 91.3(7) . . ?
C48 Rh3 O4' 96.2(5) . . ?
C47 Rh3 O4' 129.9(6) . . ?
C49 Rh3 O4' 94.1(5) . . ?
N6 Rh3 O4' 86.2(4) . . ?
C1 N1 C3 107.3(13) . . ?
C1 N1 Rh3 138.8(12) . . ?
C3 N1 Rh3 112.7(10) . . ?
C1 N2 C2 108.7(15) . . ?
C1 N2 Rh2 136.9(11) . . ?
C2 N2 Rh2 112.4(15) . . ?
C10 N3 C6 118.7(18) . . ?
C4 O1 Rh3 111.5(15) . . ?
C4 O2 Rh1 142(2) . . ?
C5 O3 Rh2 115.1(11) . . ?
C5 O4 Rh1 140.7(12) . . ?
N2 C1 N1 110.6(14) . . ?
N2 C1 C6 124.9(15) . . ?
N1 C1 C6 124.2(16) . . ?
N2 C2 C3 105.1(16) . . ?
N2 C2 C5 119(2) . . ?
C3 C2 C5 136.0(18) . . ?
N1 C3 C2 108.2(14) . . ?
N1 C3 C4 117.5(15) . . ?
C2 C3 C4 134.3(15) . . ?
O2 C4 O1 115(2) . . ?
O2 C4 C3 127(2) . . ?
O1 C4 C3 118.4(19) . . ?
O3 C5 O4 118.1(16) . . ?
O3 C5 C2 115.7(19) . . ?
O4 C5 C2 126.2(16) . . ?
N3 C6 C7 122.1(15) . . ?
N3 C6 C1 114.0(17) . . ?
C7 C6 C1 124.0(18) . . ?
C6 C7 C8 122.9(17) . . ?
C7 C8 C9 104.9(18) . . ?
C10 C9 C8 131(2) . . ?
N3 C10 C9 121(2) . . ?
C1' N1' C3' 102.9(13) . . ?
C1' N1' Rh1 138.8(14) . . ?
C3' N1' Rh1 116.7(11) . . ?
C1' N2' C2' 104.8(17) . . ?
C1' N2' Rh2 138.8(14) . . ?
C2' N2' Rh2 114.3(16) . . ?
C10' N3' C6' 113(2) . . ?
C4' O1' Rh1 115.2(19) . . ?
C4' O2' Rh3 145(2) . . ?
C5' O3' Rh2 117.0(12) . . ?
C5' O4' Rh3 136.5(16) . . ?
N2' C1' N1' 113.0(16) . . ?
N2' C1' C6' 121.7(17) . . ?
N1' C1' C6' 125.0(17) . . ?
C3' C2' N2' 109(2) . . ?
C3' C2' C5' 133(3) . . ?
N2' C2' C5' 117(3) . . ?
C2' C3' N1' 110(2) . . ?
C2' C3' C4' 138(2) . . ?
N1' C3' C4' 111.3(16) . . ?
O2' C4' O1' 119(3) . . ?
O2' C4' C3' 124(2) . . ?
O1' C4' C3' 117(2) . . ?
O4' C5' O3' 115(2) . . ?
O4' C5' C2' 131(3) . . ?
O3' C5' C2' 113(2) . . ?
N3' C6' C7' 126.0(16) . . ?
N3' C6' C1' 112.1(19) . . ?
C7' C6' C1' 121.9(19) . . ?
C6' C7' C8' 122(2) . . ?
C7' C8' C9' 105.1(19) . . ?
C10' C9' C8' 133(2) . . ?
N3' C10' C9' 121(2) . . ?
C11 N4 C15 119.1(7) . . ?
C11 N4 Rh1 121.5(6) . . ?
C15 N4 Rh1 118.2(6) . . ?
C16 N5 C20 116.9(7) . . ?
C16 N5 Rh2 122.1(6) . 2_655 ?
C20 N5 Rh2 120.3(6) . 2_655 ?
C25 N6 C21 116.0(8) . . ?
C25 N6 Rh3 121.3(6) . . ?
C21 N6 Rh3 122.3(6) . . ?
N4 C11 C12 122.8(8) . . ?
C13 C12 C11 120.6(9) . . ?
C14 C13 C12 115.2(8) . . ?
C14 C13 C18 121.9(9) . . ?
C12 C13 C18 122.5(8) . . ?
C13 C14 C15 121.9(9) . . ?
N4 C15 C14 120.4(8) . . ?
N5 C16 C17 126.0(9) . . ?
C16 C17 C18 118.9(9) . . ?
C17 C18 C19 116.0(8) . . ?
C17 C18 C13 121.9(8) . . ?
C19 C18 C13 122.1(8) . . ?
C20 C19 C18 119.9(9) . . ?
N5 C20 C19 122.3(8) . . ?
C22 C21 N6 123.7(10) . . ?
C21 C22 C23 121.5(9) . . ?
C22 C23 C24 116.7(8) . . ?
C22 C23 C23 122.8(11) . 2_655 ?
C24 C23 C23 120.5(11) . 2_655 ?
C23 C24 C25 120.7(9) . . ?
N6 C25 C24 121.3(9) . . ?
C30 C26 C27 108.0(8) . . ?
C30 C26 C35 127.2(10) . . ?
C27 C26 C35 124.7(10) . . ?
C30 C26 Rh1 71.4(5) . . ?
C27 C26 Rh1 71.6(5) . . ?
C35 C26 Rh1 125.0(7) . . ?
C28 C27 C26 107.9(8) . . ?
C28 C27 C31 124.9(10) . . ?
C26 C27 C31 127.2(10) . . ?
C28 C27 Rh1 71.0(5) . . ?
C26 C27 Rh1 68.9(5) . . ?
C31 C27 Rh1 126.3(7) . . ?
C27 C28 C29 107.0(9) . . ?
C27 C28 C32 123.0(11) . . ?
C29 C28 C32 129.7(11) . . ?
C27 C28 Rh1 70.9(5) . . ?
C29 C28 Rh1 70.1(5) . . ?
C32 C28 Rh1 128.5(7) . . ?
C30 C29 C28 109.5(9) . . ?
C30 C29 C33 130.0(12) . . ?
C28 C29 C33 120.5(12) . . ?
C30 C29 Rh1 70.9(6) . . ?
C28 C29 Rh1 70.6(5) . . ?
C33 C29 Rh1 124.7(7) . . ?
C29 C30 C26 107.6(9) . . ?
C29 C30 C34 127.8(11) . . ?
C26 C30 C34 124.6(11) . . ?
C29 C30 Rh1 71.2(6) . . ?
C26 C30 Rh1 69.4(5) . . ?
C34 C30 Rh1 126.3(8) . . ?
C40 C36 C41 130.1(10) . . ?
C40 C36 C37 105.5(9) . . ?
C41 C36 C37 124.1(10) . . ?
C40 C36 Rh2 71.6(6) . . ?
C41 C36 Rh2 127.7(7) . . ?
C37 C36 Rh2 70.4(5) . . ?
C38 C37 C42 123.3(9) . . ?
C38 C37 C36 108.2(9) . . ?
C42 C37 C36 128.5(10) . . ?
C38 C37 Rh2 71.0(5) . . ?
C42 C37 Rh2 126.2(7) . . ?
C36 C37 Rh2 68.7(5) . . ?
C37 C38 C43 127.8(10) . . ?
C37 C38 C39 109.1(8) . . ?
C43 C38 C39 122.9(10) . . ?
C37 C38 Rh2 71.6(5) . . ?
C43 C38 Rh2 127.8(7) . . ?
C39 C38 Rh2 69.7(5) . . ?
C40 C39 C38 104.6(9) . . ?
C40 C39 C44 126.8(11) . . ?
C38 C39 C44 128.4(10) . . ?
C40 C39 Rh2 70.3(5) . . ?
C38 C39 Rh2 70.4(5) . . ?
C44 C39 Rh2 126.0(9) . . ?
C36 C40 C39 112.3(9) . . ?
C36 C40 C45 122.6(10) . . ?
C39 C40 C45 125.0(11) . . ?
C36 C40 Rh2 71.1(5) . . ?
C39 C40 Rh2 70.4(5) . . ?
C45 C40 Rh2 123.5(8) . . ?
C47 C46 C50 106.8(11) . . ?
C47 C46 C51 126.1(11) . . ?
C50 C46 C51 126.9(12) . . ?
C47 C46 Rh3 72.5(6) . . ?
C50 C46 Rh3 69.5(5) . . ?
C51 C46 Rh3 127.5(8) . . ?
C46 C47 C48 112.1(10) . . ?
C46 C47 C52 126.0(14) . . ?
C48 C47 C52 121.8(14) . . ?
C46 C47 Rh3 70.0(6) . . ?
C48 C47 Rh3 70.4(6) . . ?
C52 C47 Rh3 125.1(8) . . ?
C47 C48 C49 106.8(11) . . ?
C47 C48 C53 125.4(12) . . ?
C49 C48 C53 127.4(13) . . ?
C47 C48 Rh3 71.5(6) . . ?
C49 C48 Rh3 71.0(6) . . ?
C53 C48 Rh3 127.9(8) . . ?
C48 C49 C50 106.2(10) . . ?
C48 C49 C54 134.5(15) . . ?
C50 C49 C54 119.3(14) . . ?
C48 C49 Rh3 69.7(6) . . ?
C50 C49 Rh3 68.2(6) . . ?
C54 C49 Rh3 124.9(8) . . ?
C46 C50 C49 107.8(10) . . ?
C46 C50 C55 125.0(14) . . ?
C49 C50 C55 127.0(13) . . ?
C46 C50 Rh3 70.6(6) . . ?
C49 C50 Rh3 71.8(6) . . ?
C55 C50 Rh3 126.1(8) . . ?

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
C2 N2 C1 N1 -5(4) . . . . ?
Rh2 N2 C1 N1 -166.9(11) . . . . ?
C2 N2 C1 C6 -178(3) . . . . ?
Rh2 N2 C1 C6 20(4) . . . . ?
C3 N1 C1 N2 3(3) . . . . ?
Rh3 N1 C1 N2 168.7(12) . . . . ?
C3 N1 C1 C6 176(2) . . . . ?
Rh3 N1 C1 C6 -18(4) . . . . ?
C1 N2 C2 C3 4(4) . . . . ?
Rh2 N2 C2 C3 171(2) . . . . ?
C1 N2 C2 C5 -177(4) . . . . ?
Rh2 N2 C2 C5 -10(5) . . . . ?
C1 N1 C3 C2 0(3) . . . . ?
Rh3 N1 C3 C2 -170(3) . . . . ?
C1 N1 C3 C4 178(3) . . . . ?
Rh3 N1 C3 C4 8(2) . . . . ?
N2 C2 C3 N1 -2(4) . . . . ?
C5 C2 C3 N1 179(6) . . . . ?
N2 C2 C3 C4 180(3) . . . . ?
C5 C2 C3 C4 1(9) . . . . ?
Rh1 O2 C4 O1 -165(3) . . . . ?
Rh1 O2 C4 C3 13(7) . . . . ?
Rh3 O1 C4 O2 179(3) . . . . ?
Rh3 O1 C4 C3 1(4) . . . . ?
N1 C3 C4 O2 176(3) . . . . ?
C2 C3 C4 O2 -6(7) . . . . ?
N1 C3 C4 O1 -6(5) . . . . ?
C2 C3 C4 O1 172(4) . . . . ?
Rh2 O3 C5 O4 -175.3(18) . . . . ?
Rh2 O3 C5 C2 7(4) . . . . ?
Rh1 O4 C5 O3 174.5(11) . . . . ?
Rh1 O4 C5 C2 -8(5) . . . . ?
N2 C2 C5 O3 2(6) . . . . ?
C3 C2 C5 O3 -179(5) . . . . ?
N2 C2 C5 O4 -176(3) . . . . ?
C3 C2 C5 O4 3(9) . . . . ?
C10 N3 C6 C7 0(3) . . . . ?
C10 N3 C6 C1 179.1(16) . . . . ?
N2 C1 C6 N3 -94(3) . . . . ?
N1 C1 C6 N3 94(3) . . . . ?
N2 C1 C6 C7 85(3) . . . . ?
N1 C1 C6 C7 -87(3) . . . . ?
N3 C6 C7 C8 -3(3) . . . . ?
C1 C6 C7 C8 178.0(17) . . . . ?
C6 C7 C8 C9 4(2) . . . . ?
C7 C8 C9 C10 -4(3) . . . . ?
C6 N3 C10 C9 1(3) . . . . ?
C8 C9 C10 N3 1(3) . . . . ?
C2' N2' C1' N1' 3(4) . . . . ?
Rh2 N2' C1' N1' 165.0(14) . . . . ?
C2' N2' C1' C6' 178(4) . . . . ?
Rh2 N2' C1' C6' -21(4) . . . . ?
C3' N1' C1' N2' -5(3) . . . . ?
Rh1 N1' C1' N2' -168.6(15) . . . . ?
C3' N1' C1' C6' -179(2) . . . . ?
Rh1 N1' C1' C6' 17(5) . . . . ?
C1' N2' C2' C3' -1(6) . . . . ?
Rh2 N2' C2' C3' -167(3) . . . . ?
C1' N2' C2' C5' -178(5) . . . . ?
Rh2 N2' C2' C5' 15(7) . . . . ?
N2' C2' C3' N1' -2(6) . . . . ?
C5' C2' C3' N1' 175(7) . . . . ?
N2' C2' C3' C4' -175(3) . . . . ?
C5' C2' C3' C4' 2(12) . . . . ?
C1' N1' C3' C2' 4(4) . . . . ?
Rh1 N1' C3' C2' 172(4) . . . . ?
C1' N1' C3' C4' 179(3) . . . . ?
Rh1 N1' C3' C4' -13(3) . . . . ?
Rh3 O2' C4' O1' 178(4) . . . . ?
Rh3 O2' C4' C3' -1(9) . . . . ?
Rh1 O1' C4' O2' -171(4) . . . . ?
Rh1 O1' C4' C3' 8(5) . . . . ?
C2' C3' C4' O2' -6(9) . . . . ?
N1' C3' C4' O2' -179(4) . . . . ?
C2' C3' C4' O1' 175(6) . . . . ?
N1' C3' C4' O1' 2(5) . . . . ?
Rh3 O4' C5' O3' -163.1(15) . . . . ?
Rh3 O4' C5' C2' 5(7) . . . . ?
Rh2 O3' C5' O4' 175(2) . . . . ?
Rh2 O3' C5' C2' 5(5) . . . . ?
C3' C2' C5' O4' 2(12) . . . . ?
N2' C2' C5' O4' 179(4) . . . . ?
C3' C2' C5' O3' 170(6) . . . . ?
N2' C2' C5' O3' -13(7) . . . . ?
C10' N3' C6' C7' 2(3) . . . . ?
C10' N3' C6' C1' -179.7(18) . . . . ?
N2' C1' C6' N3' 98(3) . . . . ?
N1' C1' C6' N3' -88(3) . . . . ?
N2' C1' C6' C7' -84(3) . . . . ?
N1' C1' C6' C7' 90(3) . . . . ?
N3' C6' C7' C8' 2(3) . . . . ?
C1' C6' C7' C8' -175.8(19) . . . . ?
C6' C7' C8' C9' -3(3) . . . . ?
C7' C8' C9' C10' -1(3) . . . . ?
C6' N3' C10' C9' -5(3) . . . . ?
C8' C9' C10' N3' 5(4) . . . . ?
C15 N4 C11 C12 0.7(13) . . . . ?
Rh1 N4 C11 C12 -166.3(7) . . . . ?
N4 C11 C12 C13 -1.3(14) . . . . ?
C11 C12 C13 C14 0.6(13) . . . . ?
C11 C12 C13 C18 173.8(8) . . . . ?
C12 C13 C14 C15 0.6(14) . . . . ?
C18 C13 C14 C15 -172.7(9) . . . . ?
C11 N4 C15 C14 0.4(14) . . . . ?
Rh1 N4 C15 C14 167.9(7) . . . . ?
C13 C14 C15 N4 -1.1(15) . . . . ?
C20 N5 C16 C17 -2.6(14) . . . . ?
Rh2 N5 C16 C17 167.1(8) 2_655 . . . ?
N5 C16 C17 C18 2.0(15) . . . . ?
C16 C17 C18 C19 1.1(13) . . . . ?
C16 C17 C18 C13 -177.6(8) . . . . ?
C14 C13 C18 C17 157.9(9) . . . . ?
C12 C13 C18 C17 -14.9(13) . . . . ?
C14 C13 C18 C19 -20.7(14) . . . . ?
C12 C13 C18 C19 166.5(9) . . . . ?
C17 C18 C19 C20 -3.2(14) . . . . ?
C13 C18 C19 C20 175.4(9) . . . . ?
C16 N5 C20 C19 0.2(14) . . . . ?
Rh2 N5 C20 C19 -169.8(8) 2_655 . . . ?
C18 C19 C20 N5 2.7(16) . . . . ?
C25 N6 C21 C22 3.7(15) . . . . ?
Rh3 N6 C21 C22 -168.6(9) . . . . ?
N6 C21 C22 C23 -1.2(17) . . . . ?
C21 C22 C23 C24 -1.1(15) . . . . ?
C21 C22 C23 C23 176.3(8) . . . 2_655 ?
C22 C23 C24 C25 0.6(13) . . . . ?
C23 C23 C24 C25 -176.8(6) 2_655 . . . ?
C21 N6 C25 C24 -4.0(13) . . . . ?
Rh3 N6 C25 C24 168.3(7) . . . . ?
C23 C24 C25 N6 2.0(14) . . . . ?
C30 C26 C27 C28 -1.9(10) . . . . ?
C35 C26 C27 C28 -179.1(8) . . . . ?
Rh1 C26 C27 C28 60.5(6) . . . . ?
C30 C26 C27 C31 177.2(9) . . . . ?
C35 C26 C27 C31 0.1(15) . . . . ?
Rh1 C26 C27 C31 -120.3(9) . . . . ?
C30 C26 C27 Rh1 -62.5(6) . . . . ?
C35 C26 C27 Rh1 120.3(9) . . . . ?
C26 C27 C28 C29 1.9(9) . . . . ?
C31 C27 C28 C29 -177.3(9) . . . . ?
Rh1 C27 C28 C29 61.1(6) . . . . ?
C26 C27 C28 C32 176.7(8) . . . . ?
C31 C27 C28 C32 -2.5(14) . . . . ?
Rh1 C27 C28 C32 -124.1(9) . . . . ?
C26 C27 C28 Rh1 -59.2(6) . . . . ?
C31 C27 C28 Rh1 121.6(9) . . . . ?
C27 C28 C29 C30 -1.1(11) . . . . ?
C32 C28 C29 C30 -175.5(9) . . . . ?
Rh1 C28 C29 C30 60.5(7) . . . . ?
C27 C28 C29 C33 178.8(8) . . . . ?
C32 C28 C29 C33 4.4(15) . . . . ?
Rh1 C28 C29 C33 -119.6(9) . . . . ?
C27 C28 C29 Rh1 -61.7(6) . . . . ?
C32 C28 C29 Rh1 124.0(10) . . . . ?
C28 C29 C30 C26 -0.1(11) . . . . ?
C33 C29 C30 C26 -180.0(10) . . . . ?
Rh1 C29 C30 C26 60.2(7) . . . . ?
C28 C29 C30 C34 177.8(11) . . . . ?
C33 C29 C30 C34 -2.1(19) . . . . ?
Rh1 C29 C30 C34 -121.9(12) . . . . ?
C28 C29 C30 Rh1 -60.3(7) . . . . ?
C33 C29 C30 Rh1 119.8(11) . . . . ?
C27 C26 C30 C29 1.2(11) . . . . ?
C35 C26 C30 C29 178.3(9) . . . . ?
Rh1 C26 C30 C29 -61.4(7) . . . . ?
C27 C26 C30 C34 -176.7(10) . . . . ?
C35 C26 C30 C34 0.3(17) . . . . ?
Rh1 C26 C30 C34 120.7(11) . . . . ?
C27 C26 C30 Rh1 62.6(6) . . . . ?
C35 C26 C30 Rh1 -120.3(10) . . . . ?
C40 C36 C37 C38 -3.3(10) . . . . ?
C41 C36 C37 C38 -176.9(8) . . . . ?
Rh2 C36 C37 C38 60.2(6) . . . . ?
C40 C36 C37 C42 176.5(10) . . . . ?
C41 C36 C37 C42 2.9(15) . . . . ?
Rh2 C36 C37 C42 -120.0(10) . . . . ?
C40 C36 C37 Rh2 -63.5(7) . . . . ?
C41 C36 C37 Rh2 122.9(9) . . . . ?
C42 C37 C38 C43 -2.6(15) . . . . ?
C36 C37 C38 C43 177.2(9) . . . . ?
Rh2 C37 C38 C43 -124.0(10) . . . . ?
C42 C37 C38 C39 -178.7(9) . . . . ?
C36 C37 C38 C39 1.1(10) . . . . ?
Rh2 C37 C38 C39 59.9(7) . . . . ?
C42 C37 C38 Rh2 121.4(10) . . . . ?
C36 C37 C38 Rh2 -58.8(6) . . . . ?
C37 C38 C39 C40 1.4(10) . . . . ?
C43 C38 C39 C40 -174.9(9) . . . . ?
Rh2 C38 C39 C40 62.5(6) . . . . ?
C37 C38 C39 C44 178.1(11) . . . . ?
C43 C38 C39 C44 1.7(17) . . . . ?
Rh2 C38 C39 C44 -120.9(12) . . . . ?
C37 C38 C39 Rh2 -61.0(6) . . . . ?
C43 C38 C39 Rh2 122.6(9) . . . . ?
C41 C36 C40 C39 177.4(9) . . . . ?
C37 C36 C40 C39 4.4(11) . . . . ?
Rh2 C36 C40 C39 -58.3(7) . . . . ?
C41 C36 C40 C45 -6.1(17) . . . . ?
C37 C36 C40 C45 -179.1(9) . . . . ?
Rh2 C36 C40 C45 118.2(10) . . . . ?
C41 C36 C40 Rh2 -124.3(10) . . . . ?
C37 C36 C40 Rh2 62.7(6) . . . . ?
C38 C39 C40 C36 -3.7(11) . . . . ?
C44 C39 C40 C36 179.5(11) . . . . ?
Rh2 C39 C40 C36 58.7(7) . . . . ?
C38 C39 C40 C45 179.8(10) . . . . ?
C44 C39 C40 C45 3.1(18) . . . . ?
Rh2 C39 C40 C45 -117.7(10) . . . . ?
C38 C39 C40 Rh2 -62.5(6) . . . . ?
C44 C39 C40 Rh2 120.8(12) . . . . ?
C50 C46 C47 C48 -3.7(12) . . . . ?
C51 C46 C47 C48 -178.2(11) . . . . ?
Rh3 C46 C47 C48 57.8(8) . . . . ?
C50 C46 C47 C52 179.1(10) . . . . ?
C51 C46 C47 C52 4.6(18) . . . . ?
Rh3 C46 C47 C52 -119.5(11) . . . . ?
C50 C46 C47 Rh3 -61.4(7) . . . . ?
C51 C46 C47 Rh3 124.0(11) . . . . ?
C46 C47 C48 C49 5.0(12) . . . . ?
C52 C47 C48 C49 -177.6(9) . . . . ?
Rh3 C47 C48 C49 62.6(7) . . . . ?
C46 C47 C48 C53 178.6(9) . . . . ?
C52 C47 C48 C53 -4.0(17) . . . . ?
Rh3 C47 C48 C53 -123.8(11) . . . . ?
C46 C47 C48 Rh3 -57.6(8) . . . . ?
C52 C47 C48 Rh3 119.8(10) . . . . ?
C47 C48 C49 C50 -4.2(11) . . . . ?
C53 C48 C49 C50 -177.6(10) . . . . ?
Rh3 C48 C49 C50 58.7(7) . . . . ?
C47 C48 C49 C54 177.6(11) . . . . ?
C53 C48 C49 C54 4.2(19) . . . . ?
Rh3 C48 C49 C54 -119.5(12) . . . . ?
C47 C48 C49 Rh3 -62.9(7) . . . . ?
C53 C48 C49 Rh3 123.7(11) . . . . ?
C47 C46 C50 C49 0.9(11) . . . . ?
C51 C46 C50 C49 175.3(11) . . . . ?
Rh3 C46 C50 C49 -62.5(7) . . . . ?
C47 C46 C50 C55 -175.6(10) . . . . ?
C51 C46 C50 C55 -1.1(18) . . . . ?
Rh3 C46 C50 C55 121.1(11) . . . . ?
C47 C46 C50 Rh3 63.4(7) . . . . ?
C51 C46 C50 Rh3 -122.1(11) . . . . ?
C48 C49 C50 C46 2.1(11) . . . . ?
C54 C49 C50 C46 -179.4(9) . . . . ?
Rh3 C49 C50 C46 61.7(7) . . . . ?
C48 C49 C50 C55 178.4(10) . . . . ?
C54 C49 C50 C55 -3.1(16) . . . . ?
Rh3 C49 C50 C55 -121.9(11) . . . . ?
C48 C49 C50 Rh3 -59.7(6) . . . . ?
C54 C49 C50 Rh3 118.9(9) . . . . ?

_refine_diff_density_max         0.981
_refine_diff_density_min         -0.578
_refine_diff_density_rms         0.142

