# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
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data_4
_database_code_depnum_ccdc_archive 'CCDC 1575529'
_audit_update_record             
;
2017-09-20 deposited with the CCDC.
2018-01-24 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            'C108 H118 F12 N4 O25 Rh4 S4'
_chemical_formula_weight         2639.94

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh 0.0927 3.6045 '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                   17.0567(6)
_cell_length_b                   17.0598(7)
_cell_length_c                   22.6028(8)
_cell_angle_alpha                105.9447(19)
_cell_angle_beta                 111.7756(16)
_cell_angle_gamma                94.6228(18)
_cell_volume                     5748.8(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9748
_cell_measurement_theta_min      2.81
_cell_measurement_theta_max      72.32

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.525
_exptl_crystal_F_000             2692
_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    6.023
_shelx_estimated_absorpt_T_min   0.314
_shelx_estimated_absorpt_T_max   0.410
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.494
_exptl_absorpt_correction_T_max  0.754
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\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            66858
_diffrn_reflns_av_unetI/netI     0.0573
_diffrn_reflns_av_R_equivalents  0.0575
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         2.229
_diffrn_reflns_theta_max         68.999
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measured_fraction_theta_full 0.966
_diffrn_reflns_Laue_measured_fraction_max 0.964
_diffrn_reflns_Laue_measured_fraction_full 0.966
_diffrn_reflns_point_group_measured_fraction_max 0.964
_diffrn_reflns_point_group_measured_fraction_full 0.966
_reflns_number_total             20637
_reflns_number_gt                16306
_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 bipyridine ligand and one triflate anion were 
 disordered and they were divided into two parts (53:47 for 
 bipyridine ligand and 60:40 for anion). 47 ISOR, 1 SIMU and 
 42 DFIX instructions were used to restrain anions, ligands 
 and Cp* fragments so that there were 342 restraints in the 
 data. Hydrogen of methanol molecule 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)+(0.1387P)²+22.1454P] 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         20637
_refine_ls_number_parameters     1421
_refine_ls_number_restraints     342
_refine_ls_R_factor_all          0.0947
_refine_ls_R_factor_gt           0.0810
_refine_ls_wR_factor_ref         0.2406
_refine_ls_wR_factor_gt          0.2286
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_restrained_S_all      1.051
_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 -0.359 0.141 0.500 859 247 ' '
2 0.500 1.000 1.000 191 39 ' '
_platon_squeeze_void_probe_radius 1.20
_platon_squeeze_details          
; 
 In asymmetric unit of this data, there were disordered 
 anion and solvents (one triflate anion, three 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 0.68254(3) 0.63380(3) 1.01988(2) 0.03800(14) Uani 1 1 d . . . . .
Rh2 Rh 0.80214(3) 0.34814(3) 0.94017(3) 0.04126(15) Uani 1 1 d . . . . .
Rh3 Rh 0.90892(4) 0.82233(4) 0.50397(3) 0.04946(17) Uani 1 1 d . . . . .
Rh4 Rh 1.24784(4) 0.79754(4) 0.62804(3) 0.05648(18) Uani 1 1 d . . . . .
N1 N 0.6502(4) 0.6265(4) 0.9176(3) 0.0483(14) Uani 1 1 d . . . . .
N3 N 0.9264(5) 0.8802(4) 0.6060(3) 0.0581(17) Uani 1 1 d . . . . .
N4 N 0.7758(5) 1.1534(4) 1.2842(4) 0.0551(16) Uani 1 1 d . . . . .
O1 O 0.7982(3) 0.5948(3) 1.0170(3) 0.0463(11) Uani 1 1 d . . . . .
O2 O 0.6424(3) 0.5019(3) 0.9816(3) 0.0438(11) Uani 1 1 d . . . . .
O3 O 0.6900(3) 0.3873(3) 0.9508(3) 0.0440(11) Uani 1 1 d . . . . .
O4 O 0.8431(3) 0.4800(3) 0.9799(3) 0.0520(12) Uani 1 1 d . . . . .
O5 O 1.0378(3) 0.8898(3) 0.5376(3) 0.0488(12) Uani 1 1 d . . . . .
O6 O 0.9842(4) 0.7392(3) 0.5413(3) 0.0530(12) Uani 1 1 d . . . . .
O7 O 1.1197(4) 0.7262(3) 0.5880(3) 0.0529(13) Uani 1 1 d . . . . .
O8 O 1.1726(3) 0.8805(3) 0.5900(3) 0.0534(13) Uani 1 1 d . . . . .
O9 O 0.6934(9) 0.8612(6) 0.2058(6) 0.146(5) Uani 1 1 d . . . . .
O10 O 0.6687(6) 0.9246(6) 0.3006(4) 0.102(3) Uani 1 1 d . . . . .
O11 O 0.6494(13) 0.7771(9) 0.2584(12) 0.223(8) Uani 1 1 d . . . . .
O12 O 0.9587(6) 0.7276(6) 0.7835(4) 0.107(3) Uani 1 1 d D . . . .
O13 O 0.8142(8) 0.7110(9) 0.7452(8) 0.196(8) Uani 1 1 d D U . . .
O14 O 0.8858(9) 0.6216(9) 0.8081(6) 0.167(6) Uani 1 1 d D . . . .
S1 S 0.6483(2) 0.85285(19) 0.2449(2) 0.0960(9) Uani 1 1 d . . . . .
S2 S 0.8786(4) 0.6717(3) 0.7551(2) 0.1309(17) Uani 1 1 d D . . . .
F1 F 0.5085(8) 0.7704(9) 0.1499(7) 0.224(7) Uani 1 1 d D U . . .
F2 F 0.4925(7) 0.8568(10) 0.2254(8) 0.218(7) Uani 1 1 d D U . . .
F3 F 0.5399(15) 0.9124(16) 0.1728(11) 0.304(12) Uani 1 1 d D U . . .
F4 F 0.8409(10) 0.5276(9) 0.6735(13) 0.288(10) Uani 1 1 d D U . . .
F5 F 0.8926(9) 0.6293(9) 0.6453(7) 0.192(5) Uani 1 1 d . U . . .
F6 F 0.9689(9) 0.5671(9) 0.7109(9) 0.218(7) Uani 1 1 d . U . . .
C1 C 0.7883(4) 0.5185(5) 0.9926(3) 0.0430(15) Uani 1 1 d . . . . .
C2 C 0.6995(4) 0.4648(5) 0.9735(3) 0.0410(15) Uani 1 1 d . . . . .
C3 C 0.7090(7) 0.6493(6) 0.8965(4) 0.069(3) Uani 1 1 d . . . . .
H3 H 0.7683 0.6635 0.9266 0.083 Uiso 1 1 calc R U . . .
C4 C 0.6864(9) 0.6528(7) 0.8323(5) 0.090(4) Uani 1 1 d . . . . .
H4 H 0.7301 0.6717 0.8199 0.108 Uiso 1 1 calc R U . . .
C5 C 0.6028(10) 0.6299(6) 0.7859(5) 0.090(4) Uani 1 1 d . . . . .
C6 C 0.5423(8) 0.6060(8) 0.8092(5) 0.088(4) Uani 1 1 d . . . . .
H6 H 0.4828 0.5918 0.7799 0.105 Uiso 1 1 calc R U . . .
C7 C 0.5675(6) 0.6026(7) 0.8741(4) 0.065(2) Uani 1 1 d . . . . .
H7 H 0.5254 0.5831 0.8877 0.078 Uiso 1 1 calc R U . . .
C8 C 0.5991(9) 0.6389(9) 0.7191(7) 0.045(3) Uani 0.533(12) 1 d D U P A 1
H8 H 0.6495 0.6531 0.7124 0.054 Uiso 0.533(12) 1 calc R U P A 1
C9 C 0.5200(9) 0.6252(10) 0.6715(7) 0.047(3) Uani 0.533(12) 1 d D U P A 1
H9 H 0.4709 0.6069 0.6782 0.057 Uiso 0.533(12) 1 calc R U P A 1
C8' C 0.5379(12) 0.6267(11) 0.7144(9) 0.052(4) Uani 0.467(12) 1 d D U P A 2
H8' H 0.4772 0.6094 0.6982 0.062 Uiso 0.467(12) 1 calc R U P A 2
C9' C 0.5761(10) 0.6506(11) 0.6780(7) 0.047(4) Uani 0.467(12) 1 d D U P A 2
H9' H 0.6361 0.6717 0.6943 0.056 Uiso 0.467(12) 1 calc R U P A 2
C10 C 0.5105(8) 0.6395(8) 0.6071(4) 0.085(4) Uani 1 1 d D . . . .
C11 C 0.4518(7) 0.5689(6) 0.5546(5) 0.065(2) Uani 1 1 d . . . . .
C12 C 0.4351(10) 0.4928(7) 0.5652(6) 0.086(4) Uani 1 1 d . . . . .
H12 H 0.4628 0.4902 0.6095 0.104 Uiso 1 1 calc R U . . .
C13 C 0.3813(8) 0.4228(8) 0.5152(7) 0.087(4) Uani 1 1 d . . . . .
H13 H 0.3712 0.3731 0.5249 0.104 Uiso 1 1 calc R U . . .
C14 C 0.3402(7) 0.4249(8) 0.4482(8) 0.094(4) Uani 1 1 d . . . . .
H14 H 0.3021 0.3770 0.4126 0.113 Uiso 1 1 calc R U . . .
C15 C 0.3569(6) 0.4967(8) 0.4365(6) 0.088(4) Uani 1 1 d . . . . .
H15 H 0.3305 0.4975 0.3917 0.105 Uiso 1 1 calc R U . . .
C16 C 0.4114(5) 0.5707(6) 0.4875(5) 0.059(2) Uani 1 1 d . . . . .
C17 C 0.4317(5) 0.6445(6) 0.4737(4) 0.059(2) Uani 1 1 d . . . . .
C18 C 0.4901(5) 0.7144(6) 0.5247(4) 0.0540(19) Uani 1 1 d . . . . .
C19 C 0.5109(7) 0.7903(7) 0.5148(5) 0.074(3) Uani 1 1 d . . . . .
H19 H 0.4836 0.7946 0.4711 0.089 Uiso 1 1 calc R U . . .
C20 C 0.5674(8) 0.8564(8) 0.5645(6) 0.080(3) Uani 1 1 d . . . . .
H20 H 0.5795 0.9052 0.5543 0.096 Uiso 1 1 calc R U . . .
C21 C 0.6088(9) 0.8568(9) 0.6298(6) 0.099(4) Uani 1 1 d . . . . .
H21 H 0.6497 0.9038 0.6644 0.119 Uiso 1 1 calc R U . . .
C22 C 0.5869(10) 0.7827(8) 0.6424(5) 0.105(5) Uani 1 1 d . . . . .
H22 H 0.6118 0.7821 0.6874 0.126 Uiso 1 1 calc R U . . .
C23 C 0.5310(7) 0.7110(7) 0.5924(4) 0.067(2) Uani 1 1 d . . . . .
C24 C 0.4085(10) 0.6433(14) 0.4002(9) 0.055(3) Uani 0.533(12) 1 d D U P A 1
H24 H 0.4537 0.6617 0.3890 0.066 Uiso 0.533(12) 1 calc R U P A 1
C25 C 0.3285(10) 0.6178(11) 0.3517(6) 0.060(4) Uani 0.533(12) 1 d D U P A 1
H25 H 0.2852 0.5946 0.3625 0.072 Uiso 0.533(12) 1 calc R U P A 1
C26 C 0.1929(9) 0.5862(10) 0.1718(7) 0.063(5) Uani 0.533(12) 1 d G U P A 1
H26 H 0.1368 0.5578 0.1390 0.076 Uiso 0.533(12) 1 calc R U P A 1
C27 C 0.2205(9) 0.5815(9) 0.2353(6) 0.064(5) Uani 0.533(12) 1 d G U P A 1
H27 H 0.1835 0.5498 0.2468 0.077 Uiso 0.533(12) 1 calc R U P A 1
C28 C 0.3010(9) 0.6223(9) 0.2822(5) 0.051(4) Uani 0.533(12) 1 d DG U P A 1
C29 C 0.3539(9) 0.6678(9) 0.2657(6) 0.057(4) Uani 0.533(12) 1 d G U P A 1
H29 H 0.4101 0.6963 0.2985 0.069 Uiso 0.533(12) 1 calc R U P A 1
C30 C 0.3264(9) 0.6726(11) 0.2023(8) 0.060(6) Uani 0.533(12) 1 d G U P A 1
H30 H 0.3634 0.7043 0.1907 0.072 Uiso 0.533(12) 1 calc R U P A 1
N2 N 0.2459(10) 0.6318(12) 0.1553(8) 0.043(3) Uani 0.533(12) 1 d G U P A 1
C24' C 0.3770(15) 0.6473(17) 0.4079(10) 0.055(3) Uani 0.467(12) 1 d D . P A 2
H24' H 0.3166 0.6400 0.3955 0.066 Uiso 0.467(12) 1 calc R U P A 2
C25' C 0.4075(10) 0.6595(12) 0.3642(8) 0.053(4) Uani 0.467(12) 1 d D U P A 2
H25' H 0.4683 0.6734 0.3795 0.063 Uiso 0.467(12) 1 calc R U P A 2
C26' C 0.3482(15) 0.676(2) 0.1896(11) 0.066(7) Uani 0.467(12) 1 d D U P A 2
H26' H 0.3779 0.6947 0.1663 0.080 Uiso 0.467(12) 1 calc R U P A 2
C27' C 0.3967(14) 0.6794(14) 0.2580(9) 0.061(5) Uani 0.467(12) 1 d D U P A 2
H27' H 0.4574 0.6994 0.2787 0.073 Uiso 0.467(12) 1 calc R U P A 2
C28' C 0.3546(14) 0.6532(13) 0.2941(8) 0.053(5) Uani 0.467(12) 1 d D U P A 2
C29' C 0.264(2) 0.627(2) 0.2603(16) 0.080(8) Uani 0.467(12) 1 d . U P A 2
H29' H 0.2310 0.6113 0.2824 0.096 Uiso 0.467(12) 1 calc R U P A 2
C30' C 0.2254(15) 0.6239(15) 0.1929(11) 0.061(5) Uani 0.467(12) 1 d D U P A 2
H30' H 0.1650 0.6026 0.1701 0.073 Uiso 0.467(12) 1 calc R U P A 2
N2' N 0.2634(14) 0.6476(17) 0.1577(11) 0.043(3) Uani 0.467(12) 1 d D . P A 2
C31 C 0.7142(5) 0.6800(4) 1.1251(3) 0.0411(14) Uani 1 1 d . . . . .
C32 C 0.7382(5) 0.7477(5) 1.1035(4) 0.0493(17) Uani 1 1 d . . . . .
C33 C 0.6619(5) 0.7569(5) 1.0543(4) 0.0476(17) Uani 1 1 d . . . . .
C34 C 0.5901(5) 0.6961(5) 1.0455(4) 0.0518(18) Uani 1 1 d . . . . .
C35 C 0.6237(5) 0.6525(5) 1.0904(4) 0.0499(17) Uani 1 1 d . . . . .
C36 C 0.7740(7) 0.6531(7) 1.1798(4) 0.073(3) Uani 1 1 d . . . . .
H36A H 0.7689 0.6798 1.2221 0.110 Uiso 1 1 calc R U . . .
H36B H 0.8335 0.6693 1.1854 0.110 Uiso 1 1 calc R U . . .
H36C H 0.7589 0.5924 1.1677 0.110 Uiso 1 1 calc R U . . .
C37 C 0.8266(6) 0.7957(6) 1.1289(4) 0.063(2) Uani 1 1 d . . . . .
H37A H 0.8281 0.8301 1.1009 0.094 Uiso 1 1 calc R U . . .
H37B H 0.8660 0.7573 1.1271 0.094 Uiso 1 1 calc R U . . .
H37C H 0.8444 0.8316 1.1757 0.094 Uiso 1 1 calc R U . . .
C38 C 0.6550(7) 0.8192(6) 1.0185(5) 0.068(2) Uani 1 1 d . . . . .
H38A H 0.6505 0.8722 1.0467 0.102 Uiso 1 1 calc R U . . .
H38B H 0.6036 0.7988 0.9757 0.102 Uiso 1 1 calc R U . . .
H38C H 0.7065 0.8275 1.0094 0.102 Uiso 1 1 calc R U . . .
C39 C 0.4976(5) 0.6871(7) 1.0014(5) 0.067(2) Uani 1 1 d . . . . .
H39A H 0.4683 0.6287 0.9856 0.100 Uiso 1 1 calc R U . . .
H39B H 0.4933 0.7044 0.9626 0.100 Uiso 1 1 calc R U . . .
H39C H 0.4705 0.7221 1.0270 0.100 Uiso 1 1 calc R U . . .
C40 C 0.5733(7) 0.5833(7) 1.0994(5) 0.069(2) Uani 1 1 d . . . . .
H40A H 0.5698 0.6032 1.1431 0.104 Uiso 1 1 calc R U . . .
H40B H 0.6023 0.5360 1.0976 0.104 Uiso 1 1 calc R U . . .
H40C H 0.5150 0.5659 1.0632 0.104 Uiso 1 1 calc R U . . .
C41 C 0.8666(5) 0.3080(6) 1.0251(4) 0.0508(18) Uani 1 1 d . . . . .
C42 C 0.7924(5) 0.2445(5) 0.9736(5) 0.0547(19) Uani 1 1 d . . . . .
C43 C 0.8072(7) 0.2196(5) 0.9130(4) 0.068(3) Uani 1 1 d . . . . .
C44 C 0.8877(7) 0.2658(7) 0.9256(5) 0.068(3) Uani 1 1 d . . . . .
C45 C 0.9241(5) 0.3206(6) 0.9939(5) 0.062(2) Uani 1 1 d . . . . .
C46 C 0.8802(8) 0.3520(7) 1.0956(5) 0.081(3) Uani 1 1 d . . . . .
H46A H 0.8265 0.3405 1.1010 0.121 Uiso 1 1 calc R U . . .
H46B H 0.8977 0.4121 1.1060 0.121 Uiso 1 1 calc R U . . .
H46C H 0.9255 0.3326 1.1264 0.121 Uiso 1 1 calc R U . . .
C47 C 0.7146(6) 0.2161(7) 0.9842(7) 0.082(3) Uani 1 1 d . . . . .
H47A H 0.7033 0.2633 1.0139 0.122 Uiso 1 1 calc R U . . .
H47B H 0.7250 0.1723 1.0049 0.122 Uiso 1 1 calc R U . . .
H47C H 0.6646 0.1942 0.9406 0.122 Uiso 1 1 calc R U . . .
C48 C 0.7506(12) 0.1541(8) 0.8468(7) 0.136(7) Uani 1 1 d . U . . .
H48A H 0.7579 0.1689 0.8100 0.205 Uiso 1 1 calc R U . . .
H48B H 0.6902 0.1502 0.8405 0.205 Uiso 1 1 calc R U . . .
H48C H 0.7667 0.1002 0.8468 0.205 Uiso 1 1 calc R U . . .
C49 C 0.9272(11) 0.2567(11) 0.8763(7) 0.121(6) Uani 1 1 d . U . . .
H49A H 0.9603 0.2124 0.8784 0.181 Uiso 1 1 calc R U . . .
H49B H 0.9658 0.3093 0.8872 0.181 Uiso 1 1 calc R U . . .
H49C H 0.8818 0.2425 0.8308 0.181 Uiso 1 1 calc R U . . .
C50 C 1.0061(7) 0.3853(9) 1.0312(8) 0.111(5) Uani 1 1 d . U . . .
H50A H 0.9943 0.4376 1.0543 0.166 Uiso 1 1 calc R U . . .
H50B H 1.0291 0.3941 0.9992 0.166 Uiso 1 1 calc R U . . .
H50C H 1.0484 0.3663 1.0645 0.166 Uiso 1 1 calc R U . . .
C51 C 1.0944(5) 0.8532(5) 0.5637(4) 0.0451(16) Uani 1 1 d . . . . .
C52 C 1.0635(5) 0.7656(5) 0.5637(4) 0.0481(17) Uani 1 1 d . . . . .
C53 C 0.9363(6) 0.9617(6) 0.6306(4) 0.062(2) Uani 1 1 d . . . . .
H53 H 0.9431 0.9945 0.6044 0.075 Uiso 1 1 calc R U . . .
C54 C 0.9370(6) 1.0012(6) 0.6929(5) 0.065(2) Uani 1 1 d . . . . .
H54 H 0.9455 1.0602 0.7092 0.078 Uiso 1 1 calc R U . . .
C55 C 0.9254(8) 0.9549(6) 0.7315(5) 0.070(3) Uani 1 1 d . . . . .
C56 C 0.9162(11) 0.8690(7) 0.7045(6) 0.103(5) Uani 1 1 d . . . . .
H56 H 0.9098 0.8342 0.7294 0.124 Uiso 1 1 calc R U . . .
C57 C 0.9165(9) 0.8344(6) 0.6425(6) 0.085(3) Uani 1 1 d . . . . .
H57 H 0.9093 0.7757 0.6249 0.102 Uiso 1 1 calc R U . . .
C58 C 0.9166(8) 0.9948(6) 0.7949(5) 0.075(3) Uani 1 1 d . . . . .
H58 H 0.9228 1.0536 0.8092 0.090 Uiso 1 1 calc R U . . .
C59 C 0.9010(6) 0.9562(6) 0.8331(4) 0.062(2) Uani 1 1 d . . . . .
H59 H 0.8977 0.8977 0.8204 0.074 Uiso 1 1 calc R U . . .
C60 C 0.8882(6) 0.9969(6) 0.8946(4) 0.058(2) Uani 1 1 d . . . . .
C61 C 0.9510(5) 1.0617(5) 0.9493(4) 0.0513(18) Uani 1 1 d . . . . .
C62 C 1.0321(6) 1.0896(7) 0.9500(5) 0.067(2) Uani 1 1 d . . . . .
H62 H 1.0454 1.0635 0.9130 0.080 Uiso 1 1 calc R U . . .
C63 C 1.0921(6) 1.1547(7) 1.0042(5) 0.068(2) Uani 1 1 d . . . . .
H63 H 1.1444 1.1750 1.0024 0.081 Uiso 1 1 calc R U . . .
C64 C 1.0777(6) 1.1903(7) 1.0603(5) 0.070(2) Uani 1 1 d . . . . .
H64 H 1.1205 1.2341 1.0971 0.084 Uiso 1 1 calc R U . . .
C65 C 1.0012(5) 1.1634(6) 1.0644(4) 0.0559(19) Uani 1 1 d . . . . .
H65 H 0.9925 1.1883 1.1039 0.067 Uiso 1 1 calc R U . . .
C66 C 0.9350(5) 1.0977(5) 1.0085(4) 0.0498(17) Uani 1 1 d . . . . .
C67 C 0.8578(5) 1.0675(5) 1.0122(4) 0.0502(17) Uani 1 1 d . . . . .
C68 C 0.7938(6) 1.0051(5) 0.9568(4) 0.0510(18) Uani 1 1 d . . . . .
C69 C 0.7102(6) 0.9781(6) 0.9530(4) 0.060(2) Uani 1 1 d . . . . .
H69 H 0.6961 1.0050 0.9894 0.072 Uiso 1 1 calc R U . . .
C70 C 0.6503(7) 0.9162(7) 0.9000(5) 0.072(3) Uani 1 1 d . . . . .
H70 H 0.5965 0.8989 0.9008 0.087 Uiso 1 1 calc R U . . .
C71 C 0.6666(7) 0.8772(7) 0.8440(5) 0.077(3) Uani 1 1 d . . . . .
H71 H 0.6244 0.8329 0.8073 0.093 Uiso 1 1 calc R U . . .
C72 C 0.7430(8) 0.9029(7) 0.8421(5) 0.080(3) Uani 1 1 d . . . . .
H72 H 0.7527 0.8776 0.8031 0.096 Uiso 1 1 calc R U . . .
C73 C 0.8086(6) 0.9670(5) 0.8976(4) 0.0552(19) Uani 1 1 d . . . . .
C74 C 0.8484(5) 1.1015(5) 1.0750(4) 0.0507(17) Uani 1 1 d . . . . .
H74 H 0.8611 1.1605 1.0940 0.061 Uiso 1 1 calc R U . . .
C75 C 0.8235(5) 1.0587(5) 1.1095(4) 0.0530(18) Uani 1 1 d . . . . .
H75 H 0.8127 0.9996 1.0917 0.064 Uiso 1 1 calc R U . . .
C76 C 0.7633(6) 1.0718(6) 1.2535(5) 0.060(2) Uani 1 1 d . . . . .
H76 H 0.7427 1.0345 1.2714 0.072 Uiso 1 1 calc R U . . .
C77 C 0.7786(6) 1.0394(5) 1.1976(4) 0.058(2) Uani 1 1 d . . . . .
H77 H 0.7674 0.9807 1.1767 0.069 Uiso 1 1 calc R U . . .
C78 C 0.8116(5) 1.0938(5) 1.1709(4) 0.0494(17) Uani 1 1 d . . . . .
C79 C 0.8264(7) 1.1772(6) 1.2041(5) 0.067(2) Uani 1 1 d . . . . .
H79 H 0.8492 1.2159 1.1885 0.080 Uiso 1 1 calc R U . . .
C80 C 0.8086(7) 1.2057(6) 1.2604(5) 0.069(2) Uani 1 1 d . . . . .
H80 H 0.8199 1.2640 1.2828 0.083 Uiso 1 1 calc R U . . .
C81 C 0.8549(6) 0.8399(6) 0.4066(4) 0.068(2) Uani 1 1 d . . . . .
C82 C 0.8550(7) 0.7558(7) 0.4005(5) 0.072(3) Uani 1 1 d . . . . .
C83 C 0.8024(7) 0.7294(6) 0.4321(5) 0.075(3) Uani 1 1 d . . . . .
C84 C 0.7738(7) 0.7991(7) 0.4597(6) 0.081(3) Uani 1 1 d . . . . .
C85 C 0.8061(6) 0.8698(6) 0.4453(5) 0.067(2) Uani 1 1 d . . . . .
C86 C 0.9031(9) 0.8924(8) 0.3831(6) 0.087(3) Uani 1 1 d . . . . .
H86A H 0.9647 0.8918 0.4034 0.130 Uiso 1 1 calc R U . . .
H86B H 0.8947 0.9497 0.3966 0.130 Uiso 1 1 calc R U . . .
H86C H 0.8815 0.8702 0.3338 0.130 Uiso 1 1 calc R U . . .
C87 C 0.9004(10) 0.6990(8) 0.3655(5) 0.100(4) Uani 1 1 d . . . . .
H87A H 0.9512 0.7323 0.3672 0.150 Uiso 1 1 calc R U . . .
H87B H 0.8608 0.6698 0.3183 0.150 Uiso 1 1 calc R U . . .
H87C H 0.9184 0.6582 0.3884 0.150 Uiso 1 1 calc R U . . .
C88 C 0.7873(9) 0.6424(7) 0.4364(8) 0.103(4) Uani 1 1 d . . . . .
H88A H 0.7834 0.6462 0.4793 0.154 Uiso 1 1 calc R U . . .
H88B H 0.8353 0.6158 0.4339 0.154 Uiso 1 1 calc R U . . .
H88C H 0.7333 0.6091 0.3989 0.154 Uiso 1 1 calc R U . . .
C89 C 0.7153(9) 0.8006(9) 0.4953(9) 0.116(5) Uani 1 1 d . . . . .
H89A H 0.6557 0.7773 0.4620 0.174 Uiso 1 1 calc R U . . .
H89B H 0.7198 0.8582 0.5218 0.174 Uiso 1 1 calc R U . . .
H89C H 0.7321 0.7673 0.5253 0.174 Uiso 1 1 calc R U . . .
C90 C 0.7901(7) 0.9559(7) 0.4638(6) 0.076(3) Uani 1 1 d . . . . .
H90A H 0.8433 0.9962 0.4780 0.114 Uiso 1 1 calc R U . . .
H90B H 0.7715 0.9652 0.5008 0.114 Uiso 1 1 calc R U . . .
H90C H 0.7450 0.9631 0.4246 0.114 Uiso 1 1 calc R U . . .
C91 C 1.3817(6) 0.8353(7) 0.6519(8) 0.099(4) Uani 1 1 d D U . . .
C92 C 1.3704(6) 0.7660(7) 0.6739(5) 0.075(3) Uani 1 1 d D . . . .
C93 C 1.3131(6) 0.6970(5) 0.6159(5) 0.062(2) Uani 1 1 d . . . . .
C94 C 1.2874(7) 0.7218(8) 0.5564(5) 0.078(3) Uani 1 1 d D . . . .
C95 C 1.3332(9) 0.8049(9) 0.5810(8) 0.111(5) Uani 1 1 d D U . . .
C96 C 1.4349(12) 0.9167(11) 0.6912(15) 0.198(11) Uani 1 1 d . U . . .
H96A H 1.4958 0.9127 0.7062 0.297 Uiso 1 1 calc R U . . .
H96B H 1.4222 0.9396 0.7307 0.297 Uiso 1 1 calc R U . . .
H96C H 1.4231 0.9533 0.6636 0.297 Uiso 1 1 calc R U . . .
C97 C 1.4089(9) 0.7669(11) 0.7441(6) 0.123(6) Uani 1 1 d D U . . .
H97A H 1.4679 0.7576 0.7553 0.184 Uiso 1 1 calc R U . . .
H97B H 1.3744 0.7226 0.7494 0.184 Uiso 1 1 calc R U . . .
H97C H 1.4100 0.8209 0.7744 0.184 Uiso 1 1 calc R U . . .
C98 C 1.2825(8) 0.6121(8) 0.6190(8) 0.099(4) Uani 1 1 d . U . . .
H98A H 1.3074 0.5702 0.5964 0.149 Uiso 1 1 calc R U . . .
H98B H 1.2195 0.5967 0.5963 0.149 Uiso 1 1 calc R U . . .
H98C H 1.3012 0.6150 0.6662 0.149 Uiso 1 1 calc R U . . .
C99 C 1.2288(11) 0.6696(13) 0.4885(7) 0.140(7) Uani 1 1 d . U . . .
H99A H 1.2050 0.7048 0.4614 0.210 Uiso 1 1 calc R U . . .
H99B H 1.1818 0.6350 0.4906 0.210 Uiso 1 1 calc R U . . .
H99C H 1.2602 0.6337 0.4679 0.210 Uiso 1 1 calc R U . . .
C100 C 1.3221(14) 0.8540(14) 0.5347(13) 0.175(9) Uani 1 1 d . U . . .
H10A H 1.3055 0.9060 0.5528 0.263 Uiso 1 1 calc R U . . .
H10B H 1.2769 0.8218 0.4902 0.263 Uiso 1 1 calc R U . . .
H10C H 1.3765 0.8668 0.5305 0.263 Uiso 1 1 calc R U . . .
C101 C 0.5459(11) 0.8474(11) 0.1960(9) 0.155(8) Uani 1 1 d D . . . .
C102 C 0.9026(10) 0.5987(11) 0.6945(9) 0.174(11) Uani 1 1 d D . . . .
C105 C 0.4227(18) 0.3955(12) 0.7182(11) 0.169(9) Uani 1 1 d D . . . .
O21 O 0.4052(13) 0.3166(12) 0.6669(9) 0.227(8) Uani 1 1 d D . . . .
C103 C 0.8021(8) 0.4375(7) 0.2404(5) 0.075(3) Uani 1 1 d D . . . .
S3 S 0.69700(17) 0.3975(2) 0.17347(16) 0.0869(8) Uani 1 1 d D U . . .
O15 O 0.6346(11) 0.4235(16) 0.1917(11) 0.160(9) Uani 0.6 1 d D U P B 1
O16 O 0.7069(9) 0.4323(8) 0.1228(6) 0.088(4) Uani 0.6 1 d D U P B 1
O17 O 0.7005(11) 0.3103(6) 0.1508(9) 0.113(6) Uani 0.6 1 d D U P B 1
F7 F 0.8114(16) 0.5196(9) 0.2674(9) 0.177(9) Uani 0.6 1 d D U P C 1
F8 F 0.8097(12) 0.4078(10) 0.2902(7) 0.121(5) Uani 0.6 1 d D U P C 1
F9 F 0.8641(14) 0.424(2) 0.2263(10) 0.198(11) Uani 0.6 1 d D U P C 1
O15' O 0.6645(15) 0.4733(11) 0.1925(15) 0.139(11) Uani 0.4 1 d D U P B 2
O16' O 0.698(3) 0.373(3) 0.1099(13) 0.196(15) Uani 0.4 1 d D U P B 2
O17' O 0.6628(15) 0.3400(12) 0.1984(12) 0.106(7) Uani 0.4 1 d D U P B 2
F7' F 0.8492(10) 0.4966(10) 0.2305(10) 0.076(4) Uani 0.4 1 d D U P C 2
F8' F 0.8217(16) 0.4646(15) 0.3043(9) 0.115(8) Uani 0.4 1 d D U P C 2
F9' F 0.8475(14) 0.3779(10) 0.2332(11) 0.095(8) Uani 0.4 1 d D U P C 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 C31 2.124(7) . ?
Rh1 O2 2.126(5) . ?
Rh1 N1 2.132(6) . ?
Rh1 C34 2.136(8) . ?
Rh1 C33 2.137(7) . ?
Rh1 C35 2.146(7) . ?
Rh1 C32 2.146(8) . ?
Rh1 O1 2.149(5) . ?
Rh2 N2' 2.10(2) 2_666 ?
Rh2 C42 2.124(8) . ?
Rh2 C43 2.127(8) . ?
Rh2 O4 2.127(5) . ?
Rh2 N2 2.14(10) 2_666 ?
Rh2 C45 2.149(8) . ?
Rh2 O3 2.150(5) . ?
Rh2 C41 2.154(7) . ?
Rh2 C44 2.155(8) . ?
Rh3 C82 2.093(9) . ?
Rh3 C83 2.094(10) . ?
Rh3 C84 2.097(10) . ?
Rh3 O6 2.126(6) . ?
Rh3 N3 2.138(7) . ?
Rh3 C85 2.140(9) . ?
Rh3 O5 2.146(5) . ?
Rh3 C81 2.165(9) . ?
Rh4 C95 2.112(10) . ?
Rh4 N4 2.129(7) 2_777 ?
Rh4 C93 2.129(8) . ?
Rh4 O8 2.130(6) . ?
Rh4 C94 2.132(9) . ?
Rh4 C91 2.139(9) . ?
Rh4 O7 2.139(6) . ?
Rh4 C92 2.148(9) . ?
N1 C7 1.334(10) . ?
N1 C3 1.335(11) . ?
N3 C53 1.318(11) . ?
N3 C57 1.325(11) . ?
N4 C76 1.334(11) . ?
N4 C80 1.344(11) . ?
N4 Rh4 2.129(7) 2_777 ?
O1 C1 1.237(9) . ?
O2 C2 1.246(8) . ?
O3 C2 1.252(9) . ?
O4 C1 1.257(9) . ?
O5 C51 1.244(9) . ?
O6 C52 1.247(9) . ?
O7 C52 1.260(10) . ?
O8 C51 1.229(9) . ?
O9 S1 1.396(9) . ?
O10 S1 1.402(9) . ?
O11 S1 1.408(14) . ?
O12 S2 1.411(9) . ?
O13 S2 1.313(13) . ?
O14 S2 1.629(12) . ?
S1 C101 1.663(19) . ?
S2 C102 1.775(17) . ?
F1 C101 1.357(14) . ?
F2 C101 1.306(15) . ?
F3 C101 1.346(17) . ?
F4 C102 1.382(15) . ?
F5 C102 1.315(19) . ?
F6 C102 1.267(18) . ?
C1 C2 1.548(10) . ?
C3 C4 1.377(13) . ?
C4 C5 1.365(18) . ?
C5 C6 1.399(19) . ?
C5 C8 1.537(17) . ?
C5 C8' 1.57(2) . ?
C6 C7 1.388(13) . ?
C8 C9 1.329(15) . ?
C9 C10 1.493(13) . ?
C8' C9' 1.343(16) . ?
C9' C10 1.524(14) . ?
C10 C23 1.401(16) . ?
C10 C11 1.415(16) . ?
C11 C12 1.409(14) . ?
C11 C16 1.424(12) . ?
C12 C13 1.364(18) . ?
C13 C14 1.426(18) . ?
C14 C15 1.351(15) . ?
C15 C16 1.416(15) . ?
C16 C17 1.424(12) . ?
C17 C18 1.394(13) . ?
C17 C24' 1.45(2) . ?
C17 C24 1.55(2) . ?
C18 C19 1.413(14) . ?
C18 C23 1.448(11) . ?
C19 C20 1.336(16) . ?
C20 C21 1.379(17) . ?
C21 C22 1.42(2) . ?
C22 C23 1.390(16) . ?
C24 C25 1.336(16) . ?
C25 C28 1.489(13) . ?
C26 N2 1.362(9) . ?
C26 C27 1.362(9) . ?
C27 C28 1.362(9) . ?
C28 C29 1.362(9) . ?
C29 C30 1.362(9) . ?
C30 N2 1.362(9) . ?
N2 Rh2 2.141(15) 2_666 ?
C24' C25' 1.328(16) . ?
C25' C28' 1.474(16) . ?
C26' N2' 1.329(17) . ?
C26' C27' 1.44(3) . ?
C27' C28' 1.402(16) . ?
C28' C29' 1.41(3) . ?
C29' C30' 1.40(4) . ?
C30' N2' 1.317(16) . ?
N2' Rh2 2.10(2) 2_666 ?
C31 C35 1.414(10) . ?
C31 C32 1.456(10) . ?
C31 C36 1.494(10) . ?
C32 C33 1.418(11) . ?
C32 C37 1.475(12) . ?
C33 C34 1.455(12) . ?
C33 C38 1.490(11) . ?
C34 C35 1.401(11) . ?
C34 C39 1.487(11) . ?
C35 C40 1.508(12) . ?
C41 C45 1.438(11) . ?
C41 C42 1.457(12) . ?
C41 C46 1.481(12) . ?
C42 C43 1.442(13) . ?
C42 C47 1.498(12) . ?
C43 C44 1.413(15) . ?
C43 C48 1.502(15) . ?
C44 C45 1.430(14) . ?
C44 C49 1.482(13) . ?
C45 C50 1.500(15) . ?
C51 C52 1.544(11) . ?
C53 C54 1.378(12) . ?
C54 C55 1.381(13) . ?
C55 C56 1.395(14) . ?
C55 C58 1.476(12) . ?
C56 C57 1.364(14) . ?
C58 C59 1.304(13) . ?
C59 C60 1.478(11) . ?
C60 C61 1.404(13) . ?
C60 C73 1.444(13) . ?
C61 C62 1.419(12) . ?
C61 C66 1.445(11) . ?
C62 C63 1.386(15) . ?
C63 C64 1.367(14) . ?
C64 C65 1.391(13) . ?
C65 C66 1.445(12) . ?
C66 C67 1.415(11) . ?
C67 C68 1.400(12) . ?
C67 C74 1.453(11) . ?
C68 C69 1.426(12) . ?
C68 C73 1.442(11) . ?
C69 C70 1.348(14) . ?
C70 C71 1.395(14) . ?
C71 C72 1.361(16) . ?
C72 C73 1.424(14) . ?
C74 C75 1.354(11) . ?
C75 C78 1.448(11) . ?
C76 C77 1.362(12) . ?
C77 C78 1.420(11) . ?
C78 C79 1.366(12) . ?
C79 C80 1.385(13) . ?
C81 C82 1.403(14) . ?
C81 C85 1.445(14) . ?
C81 C86 1.492(15) . ?
C82 C83 1.452(16) . ?
C82 C87 1.523(15) . ?
C83 C84 1.399(15) . ?
C83 C88 1.521(16) . ?
C84 C85 1.450(15) . ?
C84 C89 1.493(17) . ?
C85 C90 1.490(14) . ?
C91 C95 1.419(15) . ?
C91 C92 1.426(17) . ?
C91 C96 1.44(2) . ?
C92 C93 1.441(14) . ?
C92 C97 1.471(14) . ?
C93 C94 1.443(15) . ?
C93 C98 1.529(16) . ?
C94 C95 1.412(14) . ?
C94 C99 1.454(18) . ?
C95 C100 1.48(2) . ?
C105 O21 1.437(19) . ?
C103 F9 1.23(2) . ?
C103 F8' 1.289(19) . ?
C103 F8 1.325(16) . ?
C103 F7 1.334(18) . ?
C103 F9' 1.34(2) . ?
C103 F7' 1.357(18) . ?
C103 S3 1.786(12) . ?
S3 O15 1.342(12) . ?
S3 O16' 1.386(16) . ?
S3 O17' 1.440(14) . ?
S3 O17 1.447(11) . ?
S3 O15' 1.468(15) . ?
S3 O16 1.481(11) . ?

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
C31 Rh1 O2 111.1(2) . . ?
C31 Rh1 N1 162.4(3) . . ?
O2 Rh1 N1 85.8(2) . . ?
C31 Rh1 C34 65.7(3) . . ?
O2 Rh1 C34 113.2(3) . . ?
N1 Rh1 C34 104.1(3) . . ?
C31 Rh1 C33 65.8(3) . . ?
O2 Rh1 C33 152.8(3) . . ?
N1 Rh1 C33 97.0(3) . . ?
C34 Rh1 C33 39.8(3) . . ?
C31 Rh1 C35 38.7(3) . . ?
O2 Rh1 C35 95.4(3) . . ?
N1 Rh1 C35 138.8(3) . . ?
C34 Rh1 C35 38.2(3) . . ?
C33 Rh1 C35 64.8(3) . . ?
C31 Rh1 C32 39.9(3) . . ?
O2 Rh1 C32 150.3(2) . . ?
N1 Rh1 C32 123.7(3) . . ?
C34 Rh1 C32 65.9(3) . . ?
C33 Rh1 C32 38.7(3) . . ?
C35 Rh1 C32 65.1(3) . . ?
C31 Rh1 O1 102.5(2) . . ?
O2 Rh1 O1 78.13(18) . . ?
N1 Rh1 O1 85.2(2) . . ?
C34 Rh1 O1 165.5(3) . . ?
C33 Rh1 O1 129.0(3) . . ?
C35 Rh1 O1 135.5(3) . . ?
C32 Rh1 O1 99.8(3) . . ?
N2' Rh2 C42 127.0(7) 2_666 . ?
N2' Rh2 C43 97.7(8) 2_666 . ?
C42 Rh2 C43 39.7(4) . . ?
N2' Rh2 O4 91.4(7) 2_666 . ?
C42 Rh2 O4 139.9(3) . . ?
C43 Rh2 O4 160.5(3) . . ?
C42 Rh2 N2 135(4) . 2_666 ?
C43 Rh2 N2 103(4) . 2_666 ?
O4 Rh2 N2 84(4) . 2_666 ?
N2' Rh2 C45 135.2(7) 2_666 . ?
C42 Rh2 C45 65.8(3) . . ?
C43 Rh2 C45 65.1(4) . . ?
O4 Rh2 C45 96.4(3) . . ?
N2 Rh2 C45 130(4) 2_666 . ?
N2' Rh2 O3 81.6(7) 2_666 . ?
C42 Rh2 O3 95.2(3) . . ?
C43 Rh2 O3 120.3(4) . . ?
O4 Rh2 O3 77.94(18) . . ?
N2 Rh2 O3 86(4) 2_666 . ?
C45 Rh2 O3 143.2(3) . . ?
N2' Rh2 C41 163.9(8) 2_666 . ?
C42 Rh2 C41 39.8(3) . . ?
C43 Rh2 C41 66.2(3) . . ?
O4 Rh2 C41 103.8(3) . . ?
N2 Rh2 C41 166(5) 2_666 . ?
C45 Rh2 C41 39.0(3) . . ?
O3 Rh2 C41 106.4(2) . . ?
N2' Rh2 C44 101.8(8) 2_666 . ?
C42 Rh2 C44 65.7(4) . . ?
C43 Rh2 C44 38.5(4) . . ?
O4 Rh2 C44 122.7(4) . . ?
N2 Rh2 C44 100(5) 2_666 . ?
C45 Rh2 C44 38.8(4) . . ?
O3 Rh2 C44 158.7(3) . . ?
C41 Rh2 C44 65.7(3) . . ?
C82 Rh3 C83 40.6(4) . . ?
C82 Rh3 C84 66.3(5) . . ?
C83 Rh3 C84 39.0(4) . . ?
C82 Rh3 O6 100.1(3) . . ?
C83 Rh3 O6 95.4(3) . . ?
C84 Rh3 O6 125.1(4) . . ?
C82 Rh3 N3 163.4(4) . . ?
C83 Rh3 N3 123.8(4) . . ?
C84 Rh3 N3 97.5(4) . . ?
O6 Rh3 N3 85.8(2) . . ?
C82 Rh3 C85 65.9(4) . . ?
C83 Rh3 C85 66.6(4) . . ?
C84 Rh3 C85 40.0(4) . . ?
O6 Rh3 C85 161.9(3) . . ?
N3 Rh3 C85 104.7(3) . . ?
C82 Rh3 O5 111.9(4) . . ?
C83 Rh3 O5 150.8(4) . . ?
C84 Rh3 O5 156.8(4) . . ?
O6 Rh3 O5 78.0(2) . . ?
N3 Rh3 O5 84.5(3) . . ?
C85 Rh3 O5 117.0(3) . . ?
C82 Rh3 C81 38.4(4) . . ?
C83 Rh3 C81 66.1(4) . . ?
C84 Rh3 C81 65.9(5) . . ?
O6 Rh3 C81 133.9(3) . . ?
N3 Rh3 C81 140.1(3) . . ?
C85 Rh3 C81 39.2(4) . . ?
O5 Rh3 C81 97.8(3) . . ?
C95 Rh4 N4 146.3(5) . 2_777 ?
C95 Rh4 C93 63.8(4) . . ?
N4 Rh4 C93 122.3(3) 2_777 . ?
C95 Rh4 O8 96.7(4) . . ?
N4 Rh4 O8 85.3(2) 2_777 . ?
C93 Rh4 O8 151.9(3) . . ?
C95 Rh4 C94 38.9(4) . . ?
N4 Rh4 C94 161.8(4) 2_777 . ?
C93 Rh4 C94 39.6(4) . . ?
O8 Rh4 C94 112.6(3) . . ?
C95 Rh4 C91 39.0(4) . . ?
N4 Rh4 C91 109.5(5) 2_777 . ?
C93 Rh4 C91 65.9(4) . . ?
O8 Rh4 C91 112.6(4) . . ?
C94 Rh4 C91 67.4(5) . . ?
C95 Rh4 O7 130.0(5) . . ?
N4 Rh4 O7 83.4(2) 2_777 . ?
C93 Rh4 O7 98.3(3) . . ?
O8 Rh4 O7 78.4(2) . . ?
C94 Rh4 O7 96.9(4) . . ?
C91 Rh4 O7 163.2(4) . . ?
C95 Rh4 C92 64.0(5) . . ?
N4 Rh4 C92 99.1(3) 2_777 . ?
C93 Rh4 C92 39.4(4) . . ?
O8 Rh4 C92 151.0(4) . . ?
C94 Rh4 C92 66.9(4) . . ?
C91 Rh4 C92 38.9(5) . . ?
O7 Rh4 C92 130.6(3) . . ?
C7 N1 C3 118.9(7) . . ?
C7 N1 Rh1 118.7(6) . . ?
C3 N1 Rh1 122.3(5) . . ?
C53 N3 C57 118.6(7) . . ?
C53 N3 Rh3 120.3(5) . . ?
C57 N3 Rh3 120.5(6) . . ?
C76 N4 C80 118.1(7) . . ?
C76 N4 Rh4 122.2(6) . 2_777 ?
C80 N4 Rh4 119.5(6) . 2_777 ?
C1 O1 Rh1 113.2(4) . . ?
C2 O2 Rh1 113.6(4) . . ?
C2 O3 Rh2 113.2(4) . . ?
C1 O4 Rh2 114.6(5) . . ?
C51 O5 Rh3 113.5(5) . . ?
C52 O6 Rh3 113.6(5) . . ?
C52 O7 Rh4 112.1(5) . . ?
C51 O8 Rh4 114.3(5) . . ?
O9 S1 O10 112.5(6) . . ?
O9 S1 O11 113.0(10) . . ?
O10 S1 O11 115.8(11) . . ?
O9 S1 C101 104.8(10) . . ?
O10 S1 C101 104.2(7) . . ?
O11 S1 C101 105.1(11) . . ?
O13 S2 O12 111.5(8) . . ?
O13 S2 O14 113.0(9) . . ?
O12 S2 O14 105.0(7) . . ?
O13 S2 C102 128.7(11) . . ?
O12 S2 C102 95.2(7) . . ?
O14 S2 C102 100.3(8) . . ?
O1 C1 O4 126.2(7) . . ?
O1 C1 C2 117.5(6) . . ?
O4 C1 C2 116.3(7) . . ?
O2 C2 O3 124.7(6) . . ?
O2 C2 C1 117.5(7) . . ?
O3 C2 C1 117.8(6) . . ?
N1 C3 C4 121.9(10) . . ?
C5 C4 C3 121.7(11) . . ?
C4 C5 C6 115.2(9) . . ?
C4 C5 C8 109.1(12) . . ?
C6 C5 C8 135.6(12) . . ?
C4 C5 C8' 146.3(13) . . ?
C6 C5 C8' 98.0(12) . . ?
C7 C6 C5 121.5(10) . . ?
N1 C7 C6 120.7(10) . . ?
C9 C8 C5 114.8(13) . . ?
C8 C9 C10 118.2(13) . . ?
C9' C8' C5 113.7(15) . . ?
C8' C9' C10 111.2(15) . . ?
C23 C10 C11 119.5(7) . . ?
C23 C10 C9 132.4(11) . . ?
C11 C10 C9 106.1(11) . . ?
C23 C10 C9' 106.7(12) . . ?
C11 C10 C9' 132.1(11) . . ?
C12 C11 C10 121.8(9) . . ?
C12 C11 C16 117.3(10) . . ?
C10 C11 C16 120.7(8) . . ?
C13 C12 C11 123.3(11) . . ?
C12 C13 C14 119.3(10) . . ?
C15 C14 C13 118.3(13) . . ?
C14 C15 C16 123.7(11) . . ?
C15 C16 C17 122.8(8) . . ?
C15 C16 C11 118.0(9) . . ?
C17 C16 C11 119.0(9) . . ?
C18 C17 C16 121.0(7) . . ?
C18 C17 C24' 122.3(13) . . ?
C16 C17 C24' 115.7(12) . . ?
C18 C17 C24 116.3(10) . . ?
C16 C17 C24 120.9(11) . . ?
C17 C18 C19 123.8(8) . . ?
C17 C18 C23 119.1(8) . . ?
C19 C18 C23 117.1(9) . . ?
C20 C19 C18 122.8(10) . . ?
C19 C20 C21 122.8(12) . . ?
C20 C21 C22 116.1(11) . . ?
C23 C22 C21 123.6(10) . . ?
C22 C23 C10 121.8(9) . . ?
C22 C23 C18 117.5(10) . . ?
C10 C23 C18 120.6(9) . . ?
C25 C24 C17 123.5(14) . . ?
C24 C25 C28 126.0(15) . . ?
N2 C26 C27 120.0 . . ?
C28 C27 C26 120.0 . . ?
C27 C28 C29 120.0 . . ?
C27 C28 C25 118.8(11) . . ?
C29 C28 C25 121.2(11) . . ?
C28 C29 C30 120.0 . . ?
C29 C30 N2 120.0 . . ?
C26 N2 C30 120.0 . . ?
C26 N2 Rh2 120.1(7) . 2_666 ?
C30 N2 Rh2 119.5(7) . 2_666 ?
C25' C24' C17 123.1(18) . . ?
C24' C25' C28' 125.4(17) . . ?
N2' C26' C27' 123(2) . . ?
C28' C27' C26' 120.0(16) . . ?
C27' C28' C29' 116.2(18) . . ?
C27' C28' C25' 117.6(17) . . ?
C29' C28' C25' 126(2) . . ?
C30' C29' C28' 118(2) . . ?
N2' C30' C29' 127(2) . . ?
C30' N2' C26' 116(2) . . ?
C30' N2' Rh2 124.3(17) . 2_666 ?
C26' N2' Rh2 119.6(16) . 2_666 ?
C35 C31 C32 107.1(6) . . ?
C35 C31 C36 127.4(7) . . ?
C32 C31 C36 125.2(7) . . ?
C35 C31 Rh1 71.5(4) . . ?
C32 C31 Rh1 70.9(4) . . ?
C36 C31 Rh1 128.4(6) . . ?
C33 C32 C31 107.3(7) . . ?
C33 C32 C37 127.8(7) . . ?
C31 C32 C37 124.9(7) . . ?
C33 C32 Rh1 70.3(4) . . ?
C31 C32 Rh1 69.3(4) . . ?
C37 C32 Rh1 125.0(6) . . ?
C32 C33 C34 108.3(6) . . ?
C32 C33 C38 126.4(8) . . ?
C34 C33 C38 125.3(8) . . ?
C32 C33 Rh1 71.0(4) . . ?
C34 C33 Rh1 70.1(4) . . ?
C38 C33 Rh1 125.7(6) . . ?
C35 C34 C33 106.9(7) . . ?
C35 C34 C39 126.6(8) . . ?
C33 C34 C39 126.3(8) . . ?
C35 C34 Rh1 71.3(5) . . ?
C33 C34 Rh1 70.1(4) . . ?
C39 C34 Rh1 127.4(6) . . ?
C34 C35 C31 110.3(7) . . ?
C34 C35 C40 126.1(8) . . ?
C31 C35 C40 123.6(7) . . ?
C34 C35 Rh1 70.5(4) . . ?
C31 C35 Rh1 69.8(4) . . ?
C40 C35 Rh1 124.2(6) . . ?
C45 C41 C42 106.5(8) . . ?
C45 C41 C46 126.4(9) . . ?
C42 C41 C46 127.1(8) . . ?
C45 C41 Rh2 70.3(4) . . ?
C42 C41 Rh2 69.0(4) . . ?
C46 C41 Rh2 125.1(7) . . ?
C43 C42 C41 107.5(8) . . ?
C43 C42 C47 128.5(9) . . ?
C41 C42 C47 123.9(9) . . ?
C43 C42 Rh2 70.3(5) . . ?
C41 C42 Rh2 71.2(4) . . ?
C47 C42 Rh2 121.5(6) . . ?
C44 C43 C42 108.8(8) . . ?
C44 C43 C48 123.6(12) . . ?
C42 C43 C48 127.6(13) . . ?
C44 C43 Rh2 71.8(5) . . ?
C42 C43 Rh2 70.1(5) . . ?
C48 C43 Rh2 125.7(7) . . ?
C43 C44 C45 108.0(7) . . ?
C43 C44 C49 125.3(12) . . ?
C45 C44 C49 126.7(12) . . ?
C43 C44 Rh2 69.6(5) . . ?
C45 C44 Rh2 70.4(5) . . ?
C49 C44 Rh2 126.6(7) . . ?
C44 C45 C41 109.1(8) . . ?
C44 C45 C50 129.4(10) . . ?
C41 C45 C50 121.5(11) . . ?
C44 C45 Rh2 70.8(4) . . ?
C41 C45 Rh2 70.7(4) . . ?
C50 C45 Rh2 122.7(7) . . ?
O8 C51 O5 126.0(7) . . ?
O8 C51 C52 117.0(7) . . ?
O5 C51 C52 117.0(7) . . ?
O6 C52 O7 124.1(7) . . ?
O6 C52 C51 117.8(7) . . ?
O7 C52 C51 118.1(7) . . ?
N3 C53 C54 122.7(8) . . ?
C53 C54 C55 119.9(9) . . ?
C54 C55 C56 116.0(8) . . ?
C54 C55 C58 121.0(9) . . ?
C56 C55 C58 122.9(9) . . ?
C57 C56 C55 120.6(9) . . ?
N3 C57 C56 122.1(9) . . ?
C59 C58 C55 125.7(9) . . ?
C58 C59 C60 124.7(9) . . ?
C61 C60 C73 120.3(7) . . ?
C61 C60 C59 122.0(9) . . ?
C73 C60 C59 117.7(8) . . ?
C60 C61 C62 122.0(8) . . ?
C60 C61 C66 119.2(8) . . ?
C62 C61 C66 118.7(8) . . ?
C63 C62 C61 120.6(8) . . ?
C64 C63 C62 121.4(9) . . ?
C63 C64 C65 121.0(10) . . ?
C64 C65 C66 120.1(8) . . ?
C67 C66 C61 120.8(8) . . ?
C67 C66 C65 121.1(7) . . ?
C61 C66 C65 118.0(7) . . ?
C68 C67 C66 120.0(7) . . ?
C68 C67 C74 121.6(8) . . ?
C66 C67 C74 118.3(7) . . ?
C67 C68 C69 123.8(7) . . ?
C67 C68 C73 120.3(8) . . ?
C69 C68 C73 115.8(8) . . ?
C70 C69 C68 122.9(9) . . ?
C69 C70 C71 120.8(10) . . ?
C72 C71 C70 119.8(10) . . ?
C71 C72 C73 121.2(9) . . ?
C72 C73 C68 119.4(9) . . ?
C72 C73 C60 121.3(8) . . ?
C68 C73 C60 119.3(8) . . ?
C75 C74 C67 127.4(8) . . ?
C74 C75 C78 126.5(8) . . ?
N4 C76 C77 123.0(8) . . ?
C76 C77 C78 119.6(8) . . ?
C79 C78 C77 116.7(7) . . ?
C79 C78 C75 124.3(7) . . ?
C77 C78 C75 119.0(7) . . ?
C78 C79 C80 120.6(8) . . ?
N4 C80 C79 121.9(9) . . ?
C82 C81 C85 108.0(9) . . ?
C82 C81 C86 126.6(10) . . ?
C85 C81 C86 125.1(10) . . ?
C82 C81 Rh3 68.0(5) . . ?
C85 C81 Rh3 69.5(5) . . ?
C86 C81 Rh3 123.9(7) . . ?
C81 C82 C83 109.0(9) . . ?
C81 C82 C87 126.9(11) . . ?
C83 C82 C87 124.1(10) . . ?
C81 C82 Rh3 73.6(5) . . ?
C83 C82 Rh3 69.7(5) . . ?
C87 C82 Rh3 123.8(8) . . ?
C84 C83 C82 107.0(10) . . ?
C84 C83 C88 128.1(12) . . ?
C82 C83 C88 124.8(10) . . ?
C84 C83 Rh3 70.6(6) . . ?
C82 C83 Rh3 69.7(6) . . ?
C88 C83 Rh3 122.4(8) . . ?
C83 C84 C85 109.3(10) . . ?
C83 C84 C89 125.9(11) . . ?
C85 C84 C89 124.7(10) . . ?
C83 C84 Rh3 70.4(6) . . ?
C85 C84 Rh3 71.6(6) . . ?
C89 C84 Rh3 126.6(10) . . ?
C81 C85 C84 106.5(9) . . ?
C81 C85 C90 125.8(10) . . ?
C84 C85 C90 127.7(10) . . ?
C81 C85 Rh3 71.3(5) . . ?
C84 C85 Rh3 68.4(6) . . ?
C90 C85 Rh3 127.0(7) . . ?
C95 C91 C92 105.0(10) . . ?
C95 C91 C96 126.5(18) . . ?
C92 C91 C96 128.4(18) . . ?
C95 C91 Rh4 69.5(6) . . ?
C92 C91 Rh4 70.9(5) . . ?
C96 C91 Rh4 127.0(9) . . ?
C91 C92 C93 108.1(10) . . ?
C91 C92 C97 125.3(12) . . ?
C93 C92 C97 126.6(11) . . ?
C91 C92 Rh4 70.2(5) . . ?
C93 C92 Rh4 69.6(5) . . ?
C97 C92 Rh4 124.3(8) . . ?
C92 C93 C94 109.7(9) . . ?
C92 C93 C98 124.0(10) . . ?
C94 C93 C98 126.2(10) . . ?
C92 C93 Rh4 71.0(5) . . ?
C94 C93 Rh4 70.3(5) . . ?
C98 C93 Rh4 123.2(6) . . ?
C95 C94 C93 103.4(10) . . ?
C95 C94 C99 130.8(14) . . ?
C93 C94 C99 125.8(13) . . ?
C95 C94 Rh4 69.8(6) . . ?
C93 C94 Rh4 70.1(5) . . ?
C99 C94 Rh4 124.3(8) . . ?
C94 C95 C91 113.7(11) . . ?
C94 C95 C100 120.1(17) . . ?
C91 C95 C100 126.0(17) . . ?
C94 C95 Rh4 71.3(5) . . ?
C91 C95 Rh4 71.5(6) . . ?
C100 C95 Rh4 121.1(9) . . ?
F2 C101 F3 101(2) . . ?
F2 C101 F1 100.3(14) . . ?
F3 C101 F1 117(2) . . ?
F2 C101 S1 116.9(14) . . ?
F3 C101 S1 109.6(14) . . ?
F1 C101 S1 111.7(14) . . ?
F6 C102 F5 113.6(16) . . ?
F6 C102 F4 98.2(16) . . ?
F5 C102 F4 111.5(18) . . ?
F6 C102 S2 122.2(15) . . ?
F5 C102 S2 106.6(13) . . ?
F4 C102 S2 103.8(13) . . ?
F9 C103 F8 106.0(17) . . ?
F9 C103 F7 108.9(17) . . ?
F8 C103 F7 104.9(13) . . ?
F8' C103 F9' 104.0(16) . . ?
F8' C103 F7' 104.0(14) . . ?
F9' C103 F7' 98.5(13) . . ?
F9 C103 S3 117.1(13) . . ?
F8' C103 S3 127.6(14) . . ?
F8 C103 S3 110.6(10) . . ?
F7 C103 S3 108.7(11) . . ?
F9' C103 S3 106.4(11) . . ?
F7' C103 S3 112.3(10) . . ?
O16' S3 O17' 121.9(17) . . ?
O15 S3 O17 122.6(13) . . ?
O16' S3 O15' 117.2(18) . . ?
O17' S3 O15' 105.4(11) . . ?
O15 S3 O16 112.1(12) . . ?
O17 S3 O16 106.1(9) . . ?
O15 S3 C103 112.7(11) . . ?
O16' S3 C103 113.5(18) . . ?
O17' S3 C103 99.7(10) . . ?
O17 S3 C103 100.1(7) . . ?
O15' S3 C103 94.5(11) . . ?
O16 S3 C103 100.6(6) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rh1 O1 C1 O4 173.7(6) . . . . ?
Rh1 O1 C1 C2 -4.1(8) . . . . ?
Rh2 O4 C1 O1 178.6(6) . . . . ?
Rh2 O4 C1 C2 -3.6(8) . . . . ?
Rh1 O2 C2 O3 -179.1(5) . . . . ?
Rh1 O2 C2 C1 0.6(7) . . . . ?
Rh2 O3 C2 O2 177.2(5) . . . . ?
Rh2 O3 C2 C1 -2.5(7) . . . . ?
O1 C1 C2 O2 2.5(9) . . . . ?
O4 C1 C2 O2 -175.5(6) . . . . ?
O1 C1 C2 O3 -177.8(6) . . . . ?
O4 C1 C2 O3 4.2(9) . . . . ?
C7 N1 C3 C4 3.3(15) . . . . ?
Rh1 N1 C3 C4 -172.9(8) . . . . ?
N1 C3 C4 C5 -2.7(18) . . . . ?
C3 C4 C5 C6 2.3(17) . . . . ?
C3 C4 C5 C8 -178.6(11) . . . . ?
C3 C4 C5 C8' 172.0(17) . . . . ?
C4 C5 C6 C7 -2.8(16) . . . . ?
C8 C5 C6 C7 178.5(12) . . . . ?
C8' C5 C6 C7 -177.0(12) . . . . ?
C3 N1 C7 C6 -3.8(14) . . . . ?
Rh1 N1 C7 C6 172.6(8) . . . . ?
C5 C6 C7 N1 3.6(16) . . . . ?
C4 C5 C8 C9 -174.5(13) . . . . ?
C6 C5 C8 C9 4(2) . . . . ?
C5 C8 C9 C10 175.1(11) . . . . ?
C4 C5 C8' C9' 7(3) . . . . ?
C6 C5 C8' C9' 177.3(15) . . . . ?
C5 C8' C9' C10 175.4(12) . . . . ?
C8 C9 C10 C23 -64(2) . . . . ?
C8 C9 C10 C11 133.1(14) . . . . ?
C8' C9' C10 C23 136.9(14) . . . . ?
C8' C9' C10 C11 -58(2) . . . . ?
C23 C10 C11 C12 173.9(9) . . . . ?
C9 C10 C11 C12 -20.2(13) . . . . ?
C9' C10 C11 C12 10.5(18) . . . . ?
C23 C10 C11 C16 -1.9(14) . . . . ?
C9 C10 C11 C16 164.1(9) . . . . ?
C9' C10 C11 C16 -165.2(12) . . . . ?
C10 C11 C12 C13 -177.6(10) . . . . ?
C16 C11 C12 C13 -1.7(15) . . . . ?
C11 C12 C13 C14 1.1(17) . . . . ?
C12 C13 C14 C15 0.5(17) . . . . ?
C13 C14 C15 C16 -1.5(18) . . . . ?
C14 C15 C16 C17 176.7(11) . . . . ?
C14 C15 C16 C11 0.9(17) . . . . ?
C12 C11 C16 C15 0.7(13) . . . . ?
C10 C11 C16 C15 176.6(10) . . . . ?
C12 C11 C16 C17 -175.3(9) . . . . ?
C10 C11 C16 C17 0.7(13) . . . . ?
C15 C16 C17 C18 -175.8(10) . . . . ?
C11 C16 C17 C18 0.0(13) . . . . ?
C15 C16 C17 C24' 15.1(16) . . . . ?
C11 C16 C17 C24' -169.1(12) . . . . ?
C15 C16 C17 C24 -11.3(16) . . . . ?
C11 C16 C17 C24 164.4(10) . . . . ?
C16 C17 C18 C19 -177.9(9) . . . . ?
C24' C17 C18 C19 -9.5(16) . . . . ?
C24 C17 C18 C19 16.9(15) . . . . ?
C16 C17 C18 C23 0.6(13) . . . . ?
C24' C17 C18 C23 168.9(12) . . . . ?
C24 C17 C18 C23 -164.6(10) . . . . ?
C17 C18 C19 C20 -179.7(10) . . . . ?
C23 C18 C19 C20 1.8(14) . . . . ?
C18 C19 C20 C21 -1.4(18) . . . . ?
C19 C20 C21 C22 -1.2(19) . . . . ?
C20 C21 C22 C23 4(2) . . . . ?
C21 C22 C23 C10 -179.4(12) . . . . ?
C21 C22 C23 C18 -3.2(19) . . . . ?
C11 C10 C23 C22 178.6(11) . . . . ?
C9 C10 C23 C22 17.0(19) . . . . ?
C9' C10 C23 C22 -14.2(15) . . . . ?
C11 C10 C23 C18 2.4(14) . . . . ?
C9 C10 C23 C18 -159.1(12) . . . . ?
C9' C10 C23 C18 169.6(9) . . . . ?
C17 C18 C23 C22 -178.1(10) . . . . ?
C19 C18 C23 C22 0.5(13) . . . . ?
C17 C18 C23 C10 -1.8(13) . . . . ?
C19 C18 C23 C10 176.8(9) . . . . ?
C18 C17 C24 C25 -138.0(18) . . . . ?
C16 C17 C24 C25 57(2) . . . . ?
C17 C24 C25 C28 174.1(16) . . . . ?
N2 C26 C27 C28 0.0 . . . . ?
C26 C27 C28 C29 0.0 . . . . ?
C26 C27 C28 C25 178.5(16) . . . . ?
C24 C25 C28 C27 169.3(18) . . . . ?
C24 C25 C28 C29 -12(3) . . . . ?
C27 C28 C29 C30 0.0 . . . . ?
C25 C28 C29 C30 -178.4(16) . . . . ?
C28 C29 C30 N2 0.0 . . . . ?
C27 C26 N2 C30 0.0 . . . . ?
C27 C26 N2 Rh2 -172.4(14) . . . 2_666 ?
C29 C30 N2 C26 0.0 . . . . ?
C29 C30 N2 Rh2 172.5(14) . . . 2_666 ?
C18 C17 C24' C25' 67(3) . . . . ?
C16 C17 C24' C25' -124(2) . . . . ?
C17 C24' C25' C28' 172.5(19) . . . . ?
N2' C26' C27' C28' -1(4) . . . . ?
C26' C27' C28' C29' -2(4) . . . . ?
C26' C27' C28' C25' -179(2) . . . . ?
C24' C25' C28' C27' 171(2) . . . . ?
C24' C25' C28' C29' -6(4) . . . . ?
C27' C28' C29' C30' 4(4) . . . . ?
C25' C28' C29' C30' -179(2) . . . . ?
C28' C29' C30' N2' -4(4) . . . . ?
C29' C30' N2' C26' 1(4) . . . . ?
C29' C30' N2' Rh2 -174(2) . . . 2_666 ?
C27' C26' N2' C30' 1(4) . . . . ?
C27' C26' N2' Rh2 176(2) . . . 2_666 ?
C35 C31 C32 C33 -2.4(8) . . . . ?
C36 C31 C32 C33 -175.7(8) . . . . ?
Rh1 C31 C32 C33 60.3(5) . . . . ?
C35 C31 C32 C37 178.3(7) . . . . ?
C36 C31 C32 C37 5.0(13) . . . . ?
Rh1 C31 C32 C37 -119.0(8) . . . . ?
C35 C31 C32 Rh1 -62.7(5) . . . . ?
C36 C31 C32 Rh1 124.0(8) . . . . ?
C31 C32 C33 C34 0.8(8) . . . . ?
C37 C32 C33 C34 -180.0(8) . . . . ?
Rh1 C32 C33 C34 60.4(5) . . . . ?
C31 C32 C33 C38 179.5(8) . . . . ?
C37 C32 C33 C38 -1.3(13) . . . . ?
Rh1 C32 C33 C38 -120.9(8) . . . . ?
C31 C32 C33 Rh1 -59.6(5) . . . . ?
C37 C32 C33 Rh1 119.6(8) . . . . ?
C32 C33 C34 C35 1.2(9) . . . . ?
C38 C33 C34 C35 -177.5(8) . . . . ?
Rh1 C33 C34 C35 62.2(5) . . . . ?
C32 C33 C34 C39 176.6(8) . . . . ?
C38 C33 C34 C39 -2.1(13) . . . . ?
Rh1 C33 C34 C39 -122.4(8) . . . . ?
C32 C33 C34 Rh1 -61.0(5) . . . . ?
C38 C33 C34 Rh1 120.3(8) . . . . ?
C33 C34 C35 C31 -2.7(9) . . . . ?
C39 C34 C35 C31 -178.1(8) . . . . ?
Rh1 C34 C35 C31 58.7(6) . . . . ?
C33 C34 C35 C40 179.8(8) . . . . ?
C39 C34 C35 C40 4.4(14) . . . . ?
Rh1 C34 C35 C40 -118.7(8) . . . . ?
C33 C34 C35 Rh1 -61.4(5) . . . . ?
C39 C34 C35 Rh1 123.2(9) . . . . ?
C32 C31 C35 C34 3.2(9) . . . . ?
C36 C31 C35 C34 176.3(8) . . . . ?
Rh1 C31 C35 C34 -59.1(6) . . . . ?
C32 C31 C35 C40 -179.3(8) . . . . ?
C36 C31 C35 C40 -6.2(13) . . . . ?
Rh1 C31 C35 C40 118.4(8) . . . . ?
C32 C31 C35 Rh1 62.3(5) . . . . ?
C36 C31 C35 Rh1 -124.6(9) . . . . ?
C45 C41 C42 C43 0.6(9) . . . . ?
C46 C41 C42 C43 180.0(8) . . . . ?
Rh2 C41 C42 C43 61.2(5) . . . . ?
C45 C41 C42 C47 -176.5(7) . . . . ?
C46 C41 C42 C47 2.8(13) . . . . ?
Rh2 C41 C42 C47 -115.9(7) . . . . ?
C45 C41 C42 Rh2 -60.6(5) . . . . ?
C46 C41 C42 Rh2 118.8(9) . . . . ?
C41 C42 C43 C44 -0.1(9) . . . . ?
C47 C42 C43 C44 176.9(8) . . . . ?
Rh2 C42 C43 C44 61.7(6) . . . . ?
C41 C42 C43 C48 177.9(9) . . . . ?
C47 C42 C43 C48 -5.1(14) . . . . ?
Rh2 C42 C43 C48 -120.3(9) . . . . ?
C41 C42 C43 Rh2 -61.8(5) . . . . ?
C47 C42 C43 Rh2 115.1(8) . . . . ?
C42 C43 C44 C45 -0.5(9) . . . . ?
C48 C43 C44 C45 -178.6(8) . . . . ?
Rh2 C43 C44 C45 60.2(6) . . . . ?
C42 C43 C44 C49 178.3(9) . . . . ?
C48 C43 C44 C49 0.2(14) . . . . ?
Rh2 C43 C44 C49 -121.1(9) . . . . ?
C42 C43 C44 Rh2 -60.6(5) . . . . ?
C48 C43 C44 Rh2 121.3(9) . . . . ?
C43 C44 C45 C41 0.9(10) . . . . ?
C49 C44 C45 C41 -177.9(9) . . . . ?
Rh2 C44 C45 C41 60.5(6) . . . . ?
C43 C44 C45 C50 -176.7(10) . . . . ?
C49 C44 C45 C50 4.6(16) . . . . ?
Rh2 C44 C45 C50 -117.0(10) . . . . ?
C43 C44 C45 Rh2 -59.7(6) . . . . ?
C49 C44 C45 Rh2 121.6(10) . . . . ?
C42 C41 C45 C44 -0.9(9) . . . . ?
C46 C41 C45 C44 179.7(9) . . . . ?
Rh2 C41 C45 C44 -60.6(6) . . . . ?
C42 C41 C45 C50 176.9(8) . . . . ?
C46 C41 C45 C50 -2.5(14) . . . . ?
Rh2 C41 C45 C50 117.1(9) . . . . ?
C42 C41 C45 Rh2 59.8(5) . . . . ?
C46 C41 C45 Rh2 -119.6(9) . . . . ?
Rh4 O8 C51 O5 -179.4(6) . . . . ?
Rh4 O8 C51 C52 1.1(8) . . . . ?
Rh3 O5 C51 O8 -176.0(6) . . . . ?
Rh3 O5 C51 C52 3.5(8) . . . . ?
Rh3 O6 C52 O7 -179.8(6) . . . . ?
Rh3 O6 C52 C51 2.2(8) . . . . ?
Rh4 O7 C52 O6 -175.4(6) . . . . ?
Rh4 O7 C52 C51 2.6(8) . . . . ?
O8 C51 C52 O6 175.4(6) . . . . ?
O5 C51 C52 O6 -4.1(10) . . . . ?
O8 C51 C52 O7 -2.7(10) . . . . ?
O5 C51 C52 O7 177.8(6) . . . . ?
C57 N3 C53 C54 0.2(16) . . . . ?
Rh3 N3 C53 C54 171.7(8) . . . . ?
N3 C53 C54 C55 -1.3(16) . . . . ?
C53 C54 C55 C56 2.0(17) . . . . ?
C53 C54 C55 C58 -173.4(10) . . . . ?
C54 C55 C56 C57 -2(2) . . . . ?
C58 C55 C56 C57 173.5(13) . . . . ?
C53 N3 C57 C56 0.0(19) . . . . ?
Rh3 N3 C57 C56 -171.5(11) . . . . ?
C55 C56 C57 N3 1(2) . . . . ?
C54 C55 C58 C59 176.2(11) . . . . ?
C56 C55 C58 C59 1(2) . . . . ?
C55 C58 C59 C60 -176.8(10) . . . . ?
C58 C59 C60 C61 -57.9(14) . . . . ?
C58 C59 C60 C73 123.0(11) . . . . ?
C73 C60 C61 C62 176.3(8) . . . . ?
C59 C60 C61 C62 -2.7(12) . . . . ?
C73 C60 C61 C66 0.2(11) . . . . ?
C59 C60 C61 C66 -178.8(7) . . . . ?
C60 C61 C62 C63 178.9(8) . . . . ?
C66 C61 C62 C63 -5.0(13) . . . . ?
C61 C62 C63 C64 4.3(15) . . . . ?
C62 C63 C64 C65 -1.2(15) . . . . ?
C63 C64 C65 C66 -0.8(14) . . . . ?
C60 C61 C66 C67 1.0(11) . . . . ?
C62 C61 C66 C67 -175.2(7) . . . . ?
C60 C61 C66 C65 179.1(7) . . . . ?
C62 C61 C66 C65 2.9(11) . . . . ?
C64 C65 C66 C67 178.1(8) . . . . ?
C64 C65 C66 C61 -0.1(12) . . . . ?
C61 C66 C67 C68 -3.4(11) . . . . ?
C65 C66 C67 C68 178.6(7) . . . . ?
C61 C66 C67 C74 175.1(7) . . . . ?
C65 C66 C67 C74 -3.0(11) . . . . ?
C66 C67 C68 C69 -172.1(7) . . . . ?
C74 C67 C68 C69 9.5(12) . . . . ?
C66 C67 C68 C73 4.4(11) . . . . ?
C74 C67 C68 C73 -174.0(7) . . . . ?
C67 C68 C69 C70 -178.0(8) . . . . ?
C73 C68 C69 C70 5.3(12) . . . . ?
C68 C69 C70 C71 -2.8(15) . . . . ?
C69 C70 C71 C72 -1.3(17) . . . . ?
C70 C71 C72 C73 2.5(17) . . . . ?
C71 C72 C73 C68 0.3(15) . . . . ?
C71 C72 C73 C60 -177.3(10) . . . . ?
C67 C68 C73 C72 179.2(8) . . . . ?
C69 C68 C73 C72 -3.9(12) . . . . ?
C67 C68 C73 C60 -3.2(11) . . . . ?
C69 C68 C73 C60 173.6(7) . . . . ?
C61 C60 C73 C72 178.3(8) . . . . ?
C59 C60 C73 C72 -2.6(12) . . . . ?
C61 C60 C73 C68 0.8(11) . . . . ?
C59 C60 C73 C68 179.9(7) . . . . ?
C68 C67 C74 C75 47.6(12) . . . . ?
C66 C67 C74 C75 -130.8(9) . . . . ?
C67 C74 C75 C78 -177.7(8) . . . . ?
C80 N4 C76 C77 -3.0(14) . . . . ?
Rh4 N4 C76 C77 -179.5(7) 2_777 . . . ?
N4 C76 C77 C78 1.7(14) . . . . ?
C76 C77 C78 C79 0.3(13) . . . . ?
C76 C77 C78 C75 -176.9(8) . . . . ?
C74 C75 C78 C79 -1.8(14) . . . . ?
C74 C75 C78 C77 175.1(8) . . . . ?
C77 C78 C79 C80 -0.8(14) . . . . ?
C75 C78 C79 C80 176.2(9) . . . . ?
C76 N4 C80 C79 2.4(15) . . . . ?
Rh4 N4 C80 C79 179.0(8) 2_777 . . . ?
C78 C79 C80 N4 -0.5(16) . . . . ?
C85 C81 C82 C83 3.0(11) . . . . ?
C86 C81 C82 C83 177.8(9) . . . . ?
Rh3 C81 C82 C83 61.1(7) . . . . ?
C85 C81 C82 C87 -178.2(10) . . . . ?
C86 C81 C82 C87 -3.5(17) . . . . ?
Rh3 C81 C82 C87 -120.2(11) . . . . ?
C85 C81 C82 Rh3 -58.0(7) . . . . ?
C86 C81 C82 Rh3 116.7(10) . . . . ?
C81 C82 C83 C84 -2.4(11) . . . . ?
C87 C82 C83 C84 178.8(10) . . . . ?
Rh3 C82 C83 C84 61.1(7) . . . . ?
C81 C82 C83 C88 -179.5(10) . . . . ?
C87 C82 C83 C88 1.7(17) . . . . ?
Rh3 C82 C83 C88 -116.0(11) . . . . ?
C81 C82 C83 Rh3 -63.5(7) . . . . ?
C87 C82 C83 Rh3 117.7(10) . . . . ?
C82 C83 C84 C85 0.8(11) . . . . ?
C88 C83 C84 C85 177.8(10) . . . . ?
Rh3 C83 C84 C85 61.3(7) . . . . ?
C82 C83 C84 C89 177.9(12) . . . . ?
C88 C83 C84 C89 -5.1(19) . . . . ?
Rh3 C83 C84 C89 -121.6(13) . . . . ?
C82 C83 C84 Rh3 -60.5(7) . . . . ?
C88 C83 C84 Rh3 116.5(11) . . . . ?
C82 C81 C85 C84 -2.5(11) . . . . ?
C86 C81 C85 C84 -177.3(9) . . . . ?
Rh3 C81 C85 C84 -59.6(7) . . . . ?
C82 C81 C85 C90 179.8(9) . . . . ?
C86 C81 C85 C90 5.0(15) . . . . ?
Rh3 C81 C85 C90 122.7(10) . . . . ?
C82 C81 C85 Rh3 57.1(7) . . . . ?
C86 C81 C85 Rh3 -117.7(10) . . . . ?
C83 C84 C85 C81 1.0(11) . . . . ?
C89 C84 C85 C81 -176.1(12) . . . . ?
Rh3 C84 C85 C81 61.5(6) . . . . ?
C83 C84 C85 C90 178.6(9) . . . . ?
C89 C84 C85 C90 1.5(18) . . . . ?
Rh3 C84 C85 C90 -120.8(10) . . . . ?
C83 C84 C85 Rh3 -60.6(7) . . . . ?
C89 C84 C85 Rh3 122.3(13) . . . . ?
C95 C91 C92 C93 -2.0(10) . . . . ?
C96 C91 C92 C93 -177.9(12) . . . . ?
Rh4 C91 C92 C93 59.6(6) . . . . ?
C95 C91 C92 C97 179.8(10) . . . . ?
C96 C91 C92 C97 3.8(18) . . . . ?
Rh4 C91 C92 C97 -118.7(10) . . . . ?
C95 C91 C92 Rh4 -61.5(7) . . . . ?
C96 C91 C92 Rh4 122.5(13) . . . . ?
C91 C92 C93 C94 -0.1(10) . . . . ?
C97 C92 C93 C94 178.2(10) . . . . ?
Rh4 C92 C93 C94 59.9(6) . . . . ?
C91 C92 C93 C98 -177.8(8) . . . . ?
C97 C92 C93 C98 0.5(15) . . . . ?
Rh4 C92 C93 C98 -117.8(9) . . . . ?
C91 C92 C93 Rh4 -60.0(6) . . . . ?
C97 C92 C93 Rh4 118.3(10) . . . . ?
C92 C93 C94 C95 2.1(10) . . . . ?
C98 C93 C94 C95 179.7(9) . . . . ?
Rh4 C93 C94 C95 62.4(6) . . . . ?
C92 C93 C94 C99 -178.9(10) . . . . ?
C98 C93 C94 C99 -1.2(15) . . . . ?
Rh4 C93 C94 C99 -118.5(11) . . . . ?
C92 C93 C94 Rh4 -60.3(6) . . . . ?
C98 C93 C94 Rh4 117.3(9) . . . . ?
C93 C94 C95 C91 -3.5(12) . . . . ?
C99 C94 C95 C91 177.5(11) . . . . ?
Rh4 C94 C95 C91 59.1(8) . . . . ?
C93 C94 C95 C100 -178.3(10) . . . . ?
C99 C94 C95 C100 2.7(18) . . . . ?
Rh4 C94 C95 C100 -115.7(11) . . . . ?
C93 C94 C95 Rh4 -62.6(6) . . . . ?
C99 C94 C95 Rh4 118.4(12) . . . . ?
C92 C91 C95 C94 3.5(12) . . . . ?
C96 C91 C95 C94 179.6(12) . . . . ?
Rh4 C91 C95 C94 -59.0(8) . . . . ?
C92 C91 C95 C100 178.0(11) . . . . ?
C96 C91 C95 C100 -5.9(19) . . . . ?
Rh4 C91 C95 C100 115.5(12) . . . . ?
C92 C91 C95 Rh4 62.5(6) . . . . ?
C96 C91 C95 Rh4 -121.4(12) . . . . ?
O9 S1 C101 F2 -166.1(15) . . . . ?
O10 S1 C101 F2 -47.7(17) . . . . ?
O11 S1 C101 F2 74.5(18) . . . . ?
O9 S1 C101 F3 -52.4(16) . . . . ?
O10 S1 C101 F3 65.9(17) . . . . ?
O11 S1 C101 F3 -171.8(17) . . . . ?
O9 S1 C101 F1 79.2(16) . . . . ?
O10 S1 C101 F1 -162.4(14) . . . . ?
O11 S1 C101 F1 -40.1(18) . . . . ?
O13 S2 C102 F6 177.7(14) . . . . ?
O12 S2 C102 F6 54.8(16) . . . . ?
O14 S2 C102 F6 -51.5(17) . . . . ?
O13 S2 C102 F5 44.7(15) . . . . ?
O12 S2 C102 F5 -78.3(12) . . . . ?
O14 S2 C102 F5 175.4(11) . . . . ?
O13 S2 C102 F4 -73.1(17) . . . . ?
O12 S2 C102 F4 163.9(14) . . . . ?
O14 S2 C102 F4 57.6(15) . . . . ?
F9 C103 S3 O15 -173(2) . . . . ?
F8 C103 S3 O15 65.5(17) . . . . ?
F7 C103 S3 O15 -49(2) . . . . ?
F8' C103 S3 O16' -179(3) . . . . ?
F9' C103 S3 O16' -56(2) . . . . ?
F7' C103 S3 O16' 50(2) . . . . ?
F8' C103 S3 O17' -48(2) . . . . ?
F9' C103 S3 O17' 74.9(15) . . . . ?
F7' C103 S3 O17' -178.4(15) . . . . ?
F9 C103 S3 O17 55(2) . . . . ?
F8 C103 S3 O17 -66.4(14) . . . . ?
F7 C103 S3 O17 179.0(16) . . . . ?
F8' C103 S3 O15' 58(2) . . . . ?
F9' C103 S3 O15' -178.7(14) . . . . ?
F7' C103 S3 O15' -72.0(14) . . . . ?
F9 C103 S3 O16 -53(2) . . . . ?
F8 C103 S3 O16 -175.0(12) . . . . ?
F7 C103 S3 O16 70.3(16) . . . . ?

_refine_diff_density_max         2.583
_refine_diff_density_min         -1.302
_refine_diff_density_rms         0.144

####################################################################### 
# 
# 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_5
_database_code_depnum_ccdc_archive 'CCDC 1575532'
_audit_update_record             
;
2017-09-20 deposited with the CCDC.
2018-01-24 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            'C150 H157 F12 N19 O14 Rh4 S4'
_chemical_formula_weight         3217.82

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                   13.3420(15)
_cell_length_b                   22.628(3)
_cell_length_c                   25.834(3)
_cell_angle_alpha                95.573(2)
_cell_angle_beta                 90.823(2)
_cell_angle_gamma                104.286(2)
_cell_volume                     7516.5(15)
_cell_formula_units_Z            2
_cell_measurement_temperature    202(2)
_cell_measurement_reflns_used    8078
_cell_measurement_theta_min      2.19
_cell_measurement_theta_max      24.83

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.422
_exptl_crystal_F_000             3308
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.230
_exptl_crystal_size_min          0.210
_exptl_absorpt_coefficient_mu    0.568
_shelx_estimated_absorpt_T_min   0.876
_shelx_estimated_absorpt_T_max   0.890
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.497
_exptl_absorpt_correction_T_max  0.684
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      202(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            43484
_diffrn_reflns_av_unetI/netI     0.1405
_diffrn_reflns_av_R_equivalents  0.0568
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         0.793
_diffrn_reflns_theta_max         25.249
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measured_fraction_theta_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_point_group_measured_fraction_full 0.987
_reflns_number_total             26819
_reflns_number_gt                13376
_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          
; 
 32 ISOR and 18 DFIX instructions were used to restrain 
 anions, solvents and Cp* fragments so that there were 210 
 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)+(0.1994P)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         26819
_refine_ls_number_parameters     1717
_refine_ls_number_restraints     210
_refine_ls_R_factor_all          0.1572
_refine_ls_R_factor_gt           0.0971
_refine_ls_wR_factor_ref         0.3192
_refine_ls_wR_factor_gt          0.2623
_refine_ls_goodness_of_fit_ref   0.966
_refine_ls_restrained_S_all      0.970
_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 -0.056 0.103 0.281 381 61 ' '
2 0.000 0.500 1.000 455 110 ' '
3 0.056 0.896 0.719 383 61 ' '
4 0.356 0.472 0.656 8 0 ' '
5 0.403 0.528 0.242 7 1 ' '
6 0.597 0.472 0.758 7 1 ' '
7 0.644 0.528 0.344 8 0 ' '
_platon_squeeze_void_probe_radius 1.20
_platon_squeeze_details          
; 
 In asymmetric unit of this data, there were disordered 
 solvents (five acetonitrile 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 0.74661(6) 0.09793(3) 0.88252(3) 0.0320(2) Uani 1 1 d . . . . .
Rh2 Rh 0.86089(6) 0.26009(4) 0.73008(3) 0.0313(2) Uani 1 1 d . . . . .
Rh3 Rh 0.43166(6) 0.10070(3) 0.37736(3) 0.0321(2) Uani 1 1 d . . . . .
Rh4 Rh 0.43652(7) 0.25582(4) 0.22110(3) 0.0362(2) Uani 1 1 d . . . . .
N1 N 0.6824(6) 0.1229(3) 0.8123(3) 0.0289(18) Uani 1 1 d . . . . .
N2 N 0.8822(6) 0.1611(4) 0.8568(3) 0.0299(18) Uani 1 1 d D . . . .
N3 N 0.9250(6) 0.2280(3) 0.7958(3) 0.0273(17) Uani 1 1 d D . . . .
N4 N 0.7276(6) 0.1906(3) 0.7503(3) 0.0288(18) Uani 1 1 d . . . . .
N5 N 0.7018(6) 0.1754(4) 0.9184(3) 0.034(2) Uani 1 1 d . . . . .
N6 N 0.1979(7) 0.6807(4) 1.2155(3) 0.038(2) Uani 1 1 d . . . . .
N7 N 0.4868(7) 0.1105(4) 0.2987(3) 0.0337(19) Uani 1 1 d . . . . .
N8 N 0.3505(7) 0.1660(4) 0.3535(3) 0.038(2) Uani 1 1 d . . . . .
N9 N 0.3590(6) 0.2308(4) 0.2902(3) 0.0324(19) Uani 1 1 d . . . . .
N10 N 0.4921(6) 0.1751(4) 0.2355(3) 0.037(2) Uani 1 1 d . . . . .
N11 N 0.5554(6) 0.1783(4) 0.3994(4) 0.042(2) Uani 1 1 d . . . . .
N12 N 1.4366(7) 0.6914(4) 0.7288(3) 0.033(2) Uani 1 1 d . U . . .
N13 N 0.5946(12) 0.4486(9) 0.4662(6) 0.115(6) Uani 1 1 d . U . . .
N14 N -0.0587(15) 0.0720(8) 0.7390(7) 0.117(6) Uani 1 1 d . . . . .
O1 O 0.5496(6) 0.3119(4) 0.6647(3) 0.059(2) Uani 1 1 d . . . . .
O2 O 0.5775(7) 0.3384(5) 0.5757(3) 0.071(3) Uani 1 1 d . . . . .
O3 O 0.4363(6) 0.3631(4) 0.6229(3) 0.059(2) Uani 1 1 d . . . . .
O4 O 0.3200(8) 0.1728(4) 0.9843(4) 0.074(3) Uani 1 1 d . U . . .
O5 O 0.2331(13) 0.0766(5) 1.0136(5) 0.141(6) Uani 1 1 d D U . . .
O6 O 0.4039(12) 0.0939(5) 0.9917(7) 0.150(7) Uani 1 1 d . U . . .
O7 O 0.7885(11) 0.2810(6) 0.1625(7) 0.143(6) Uani 1 1 d . . . . .
O8 O 0.9623(11) 0.3296(8) 0.1544(6) 0.150(6) Uani 1 1 d . . . . .
O9 O 0.8274(18) 0.3301(8) 0.0861(7) 0.193(8) Uani 1 1 d D . . . .
O10 O 0.8398(10) 0.1607(5) 0.5029(5) 0.102(4) Uani 1 1 d . . . . .
O11 O 0.8175(11) 0.0877(6) 0.4264(5) 0.119(5) Uani 1 1 d . . . . .
O12 O 0.7934(12) 0.0517(7) 0.5066(7) 0.147(6) Uani 1 1 d . . . . .
S1 S 0.5070(3) 0.32474(15) 0.61735(12) 0.0536(8) Uani 1 1 d . . . . .
S2 S 0.3065(3) 0.10849(15) 0.98446(13) 0.0630(10) Uani 1 1 d D . . . .
S3 S 0.8662(4) 0.3021(2) 0.12855(17) 0.0861(13) Uani 1 1 d D . . . .
S4 S 0.8409(3) 0.10056(17) 0.48068(16) 0.0678(10) Uani 1 1 d . . . . .
F1 F 0.4725(7) 0.2060(4) 0.5881(4) 0.095(3) Uani 1 1 d . . . . .
F2 F 0.3487(8) 0.2310(4) 0.6265(4) 0.100(3) Uani 1 1 d D . . . .
F3 F 0.3793(7) 0.2512(4) 0.5477(3) 0.085(3) Uani 1 1 d . . . . .
F4 F 0.2555(9) 0.0175(4) 0.9126(4) 0.113(4) Uani 1 1 d . . . . .
F5 F 0.1754(9) 0.0843(5) 0.9080(4) 0.119(4) Uani 1 1 d . . . . .
F6 F 0.3349(10) 0.1003(6) 0.8888(5) 0.151(5) Uani 1 1 d D . . . .
F7 F 0.7997(9) 0.1928(5) 0.0769(5) 0.125(4) Uani 1 1 d . . . . .
F8 F 0.9426(11) 0.2440(6) 0.0542(5) 0.163(6) Uani 1 1 d . . . . .
F9 F 0.9308(12) 0.2013(6) 0.1285(6) 0.158(5) Uani 1 1 d . . . . .
F10 F 0.9920(11) 0.0537(8) 0.4566(7) 0.204(8) Uani 1 1 d D U . . .
F11 F 1.0295(13) 0.1474(10) 0.4586(8) 0.222(8) Uani 1 1 d D U . . .
F12 F 1.0125(9) 0.1055(7) 0.5318(5) 0.157(6) Uani 1 1 d D U . . .
C1 C 0.7550(7) 0.1639(4) 0.7899(4) 0.028(2) Uani 1 1 d . . . . .
C2 C 0.8572(7) 0.1829(4) 0.8144(4) 0.038(3) Uani 1 1 d D . . . .
C3 C 0.9828(8) 0.1961(5) 0.8681(4) 0.035(2) Uani 1 1 d . . . . .
C4 C 1.0541(9) 0.1953(6) 0.9096(4) 0.048(3) Uani 1 1 d . . . . .
H4 H 1.0372 0.1686 0.9361 0.058 Uiso 1 1 calc R U . . .
C5 C 1.1492(9) 0.2363(6) 0.9085(5) 0.056(3) Uani 1 1 d . . . . .
H5 H 1.2002 0.2358 0.9344 0.067 Uiso 1 1 calc R U . . .
C6 C 1.1746(9) 0.2762(5) 0.8738(5) 0.050(3) Uani 1 1 d . . . . .
H6 H 1.2416 0.3035 0.8766 0.060 Uiso 1 1 calc R U . . .
C7 C 1.1075(8) 0.2797(5) 0.8338(4) 0.043(3) Uani 1 1 d . . . . .
H7 H 1.1265 0.3079 0.8085 0.051 Uiso 1 1 calc R U . . .
C8 C 1.0081(7) 0.2383(5) 0.8328(4) 0.033(2) Uani 1 1 d . . . . .
C9 C 0.6206(7) 0.1654(4) 0.7460(4) 0.031(2) Uani 1 1 d . . . . .
C10 C 0.5488(8) 0.1774(5) 0.7125(4) 0.038(2) Uani 1 1 d . . . . .
H10 H 0.5680 0.2064 0.6879 0.046 Uiso 1 1 calc R U . . .
C11 C 0.4438(8) 0.1439(5) 0.7167(4) 0.043(3) Uani 1 1 d . . . . .
H11 H 0.3909 0.1498 0.6942 0.052 Uiso 1 1 calc R U . . .
C12 C 0.4194(9) 0.1021(5) 0.7544(5) 0.047(3) Uani 1 1 d . . . . .
H12 H 0.3497 0.0793 0.7564 0.057 Uiso 1 1 calc R U . . .
C13 C 0.4900(8) 0.0937(5) 0.7869(5) 0.048(3) Uani 1 1 d . . . . .
H13 H 0.4700 0.0663 0.8126 0.058 Uiso 1 1 calc R U . . .
C14 C 0.5929(7) 0.1241(4) 0.7842(4) 0.032(2) Uani 1 1 d . . . . .
C15 C 0.6061(9) 0.1779(5) 0.9177(5) 0.048(3) Uani 1 1 d . . . . .
H15 H 0.5575 0.1460 0.8974 0.058 Uiso 1 1 calc R U . . .
C16 C 0.5694(8) 0.2232(5) 0.9443(4) 0.043(3) Uani 1 1 d . . . . .
H16 H 0.4979 0.2223 0.9423 0.052 Uiso 1 1 calc R U . . .
C17 C 0.6396(9) 0.2710(5) 0.9743(4) 0.041(3) Uani 1 1 d . . . . .
C18 C 0.7430(9) 0.2691(6) 0.9729(5) 0.069(4) Uani 1 1 d . . . . .
H18 H 0.7956 0.3022 0.9893 0.082 Uiso 1 1 calc R U . . .
C19 C 0.7675(9) 0.2198(6) 0.9478(6) 0.070(4) Uani 1 1 d . . . . .
H19 H 0.8370 0.2168 0.9514 0.084 Uiso 1 1 calc R U . . .
C20 C 0.6119(9) 0.3238(5) 1.0035(4) 0.046(3) Uani 1 1 d . . . . .
H20 H 0.6614 0.3492 1.0282 0.055 Uiso 1 1 calc R U . . .
C21 C 0.5213(10) 0.3380(5) 0.9972(5) 0.055(3) Uani 1 1 d . . . . .
H21 H 0.4755 0.3160 0.9695 0.066 Uiso 1 1 calc R U . . .
C22 C 0.4880(9) 0.3859(5) 1.0310(4) 0.041(3) Uani 1 1 d . . . . .
C23 C 0.5540(9) 0.4474(5) 1.0400(4) 0.044(3) Uani 1 1 d . . . . .
C24 C 0.6520(11) 0.4651(5) 1.0180(5) 0.055(3) Uani 1 1 d . . . . .
H24 H 0.6755 0.4356 0.9960 0.067 Uiso 1 1 calc R U . . .
C25 C 0.7134(11) 0.5224(6) 1.0273(5) 0.067(4) Uani 1 1 d . . . . .
H25 H 0.7772 0.5343 1.0106 0.081 Uiso 1 1 calc R U . . .
C26 C 0.6783(11) 0.5646(6) 1.0633(5) 0.062(3) Uani 1 1 d . . . . .
H26 H 0.7233 0.6040 1.0725 0.074 Uiso 1 1 calc R U . . .
C27 C 0.5883(11) 0.5518(6) 1.0839(6) 0.063(4) Uani 1 1 d . . . . .
H27 H 0.5677 0.5826 1.1056 0.075 Uiso 1 1 calc R U . . .
C28 C 0.5188(9) 0.4911(5) 1.0742(4) 0.045(3) Uani 1 1 d . . . . .
C29 C 0.4171(9) 0.4759(5) 1.0936(4) 0.045(3) Uani 1 1 d . . . . .
C30 C 0.3523(9) 0.4185(5) 1.0802(4) 0.043(3) Uani 1 1 d . . . . .
C31 C 0.2521(9) 0.4036(6) 1.0996(5) 0.051(3) Uani 1 1 d . . . . .
H31 H 0.2284 0.4340 1.1205 0.061 Uiso 1 1 calc R U . . .
C32 C 0.1863(10) 0.3443(6) 1.0887(5) 0.061(3) Uani 1 1 d . . . . .
H32 H 0.1194 0.3350 1.1026 0.073 Uiso 1 1 calc R U . . .
C33 C 0.2203(10) 0.2978(7) 1.0565(5) 0.063(4) Uani 1 1 d . . . . .
H33 H 0.1760 0.2581 1.0480 0.076 Uiso 1 1 calc R U . . .
C34 C 0.3193(10) 0.3131(6) 1.0385(5) 0.055(3) Uani 1 1 d . . . . .
H34 H 0.3430 0.2823 1.0182 0.066 Uiso 1 1 calc R U . . .
C35 C 0.3900(8) 0.3740(5) 1.0487(4) 0.037(2) Uani 1 1 d . . . . .
C36 C 0.3859(10) 0.5264(5) 1.1276(4) 0.049(3) Uani 1 1 d . . . . .
H36 H 0.4313 0.5463 1.1562 0.059 Uiso 1 1 calc R U . . .
C37 C 0.3007(9) 0.5449(5) 1.1206(4) 0.050(3) Uani 1 1 d . . . . .
H37 H 0.2563 0.5256 1.0915 0.060 Uiso 1 1 calc R U . . .
C38 C 0.2864(8) 0.6666(5) 1.2270(4) 0.035(2) Uani 1 1 d . . . . .
H38 H 0.3245 0.6866 1.2579 0.043 Uiso 1 1 calc R U . . .
C39 C 0.3247(8) 0.6261(5) 1.1977(4) 0.038(2) Uani 1 1 d . . . . .
H39 H 0.3905 0.6201 1.2068 0.045 Uiso 1 1 calc R U . . .
C40 C 0.2691(9) 0.5923(5) 1.1537(4) 0.043(3) Uani 1 1 d . . . . .
C41 C 0.1725(10) 0.6051(5) 1.1452(5) 0.057(3) Uani 1 1 d . . . . .
H41 H 0.1274 0.5819 1.1177 0.068 Uiso 1 1 calc R U . . .
C42 C 0.1430(8) 0.6485(5) 1.1744(4) 0.041(3) Uani 1 1 d . . . . .
H42 H 0.0791 0.6571 1.1655 0.050 Uiso 1 1 calc R U . . .
C43 C 0.8038(9) 0.0495(4) 0.9396(3) 0.039(3) Uani 1 1 d D . . . .
C44 C 0.6950(8) 0.0434(4) 0.9448(4) 0.032(2) Uani 1 1 d . U . . .
C45 C 0.6394(9) 0.0132(5) 0.8980(4) 0.044(3) Uani 1 1 d . U . . .
C46 C 0.7147(8) -0.0029(4) 0.8626(3) 0.033(2) Uani 1 1 d D U . . .
C47 C 0.8120(8) 0.0222(5) 0.8858(4) 0.047(3) Uani 1 1 d D . . . .
C48 C 0.8880(10) 0.0698(6) 0.9817(5) 0.060(3) Uani 1 1 d . . . . .
H48A H 0.8678 0.0979 1.0085 0.090 Uiso 1 1 calc R U . . .
H48B H 0.9524 0.0908 0.9667 0.090 Uiso 1 1 calc R U . . .
H48C H 0.8984 0.0340 0.9974 0.090 Uiso 1 1 calc R U . . .
C49 C 0.6473(10) 0.0613(5) 0.9950(4) 0.049(3) Uani 1 1 d . U . . .
H49A H 0.6233 0.0251 1.0137 0.074 Uiso 1 1 calc R U . . .
H49B H 0.5885 0.0781 0.9869 0.074 Uiso 1 1 calc R U . . .
H49C H 0.6992 0.0923 1.0167 0.074 Uiso 1 1 calc R U . . .
C50 C 0.5254(9) -0.0085(5) 0.8909(5) 0.050(3) Uani 1 1 d . . . . .
H50A H 0.5030 -0.0506 0.9001 0.076 Uiso 1 1 calc R U . . .
H50B H 0.5051 -0.0073 0.8544 0.076 Uiso 1 1 calc R U . . .
H50C H 0.4928 0.0182 0.9134 0.076 Uiso 1 1 calc R U . . .
C51 C 0.6909(11) -0.0292(5) 0.8038(4) 0.060(4) Uani 1 1 d D . . . .
H51A H 0.7532 -0.0162 0.7840 0.089 Uiso 1 1 calc R U . . .
H51B H 0.6350 -0.0136 0.7897 0.089 Uiso 1 1 calc R U . . .
H51C H 0.6697 -0.0740 0.8012 0.089 Uiso 1 1 calc R U . . .
C52 C 0.9159(10) 0.0154(6) 0.8650(6) 0.068(4) Uani 1 1 d D . . . .
H52A H 0.9385 -0.0159 0.8825 0.102 Uiso 1 1 calc R U . . .
H52B H 0.9676 0.0547 0.8717 0.102 Uiso 1 1 calc R U . . .
H52C H 0.9080 0.0032 0.8274 0.102 Uiso 1 1 calc R U . . .
C53 C 0.8771(9) 0.3179(5) 0.6685(4) 0.039(3) Uani 1 1 d . U . . .
C54 C 0.9754(9) 0.3219(4) 0.6908(4) 0.037(2) Uani 1 1 d . U . . .
C55 C 0.9939(7) 0.2620(5) 0.6825(4) 0.041(3) Uani 1 1 d D U . . .
C56 C 0.9051(8) 0.2231(5) 0.6557(4) 0.036(2) Uani 1 1 d . U . . .
C57 C 0.8328(8) 0.2581(5) 0.6454(4) 0.037(2) Uani 1 1 d . U . . .
C58 C 0.8277(11) 0.3736(5) 0.6670(5) 0.061(4) Uani 1 1 d . . . . .
H58A H 0.8701 0.4039 0.6465 0.091 Uiso 1 1 calc R U . . .
H58B H 0.8242 0.3923 0.7025 0.091 Uiso 1 1 calc R U . . .
H58C H 0.7577 0.3594 0.6510 0.091 Uiso 1 1 calc R U . . .
C59 C 1.0495(11) 0.3813(6) 0.7160(5) 0.063(4) Uani 1 1 d . . . . .
H59A H 1.1087 0.3931 0.6939 0.094 Uiso 1 1 calc R U . . .
H59B H 1.0740 0.3746 0.7503 0.094 Uiso 1 1 calc R U . . .
H59C H 1.0130 0.4140 0.7197 0.094 Uiso 1 1 calc R U . . .
C60 C 1.0906(8) 0.2426(6) 0.6963(4) 0.051(3) Uani 1 1 d D U . . .
H60A H 1.0825 0.1995 0.6832 0.077 Uiso 1 1 calc R U . . .
H60B H 1.1018 0.2476 0.7342 0.077 Uiso 1 1 calc R U . . .
H60C H 1.1501 0.2681 0.6805 0.077 Uiso 1 1 calc R U . . .
C61 C 0.8953(11) 0.1553(5) 0.6398(5) 0.060(4) Uani 1 1 d . . . . .
H61A H 0.8220 0.1333 0.6377 0.090 Uiso 1 1 calc R U . . .
H61B H 0.9322 0.1388 0.6658 0.090 Uiso 1 1 calc R U . . .
H61C H 0.9254 0.1503 0.6058 0.090 Uiso 1 1 calc R U . . .
C62 C 0.7353(9) 0.2336(6) 0.6164(4) 0.058(3) Uani 1 1 d . . . . .
H62A H 0.7272 0.1899 0.6055 0.087 Uiso 1 1 calc R U . . .
H62B H 0.6783 0.2387 0.6385 0.087 Uiso 1 1 calc R U . . .
H62C H 0.7344 0.2556 0.5856 0.087 Uiso 1 1 calc R U . . .
C63 C 0.4498(7) 0.1534(5) 0.2778(4) 0.036(2) Uani 1 1 d . . . . .
C64 C 0.3825(8) 0.1831(5) 0.3063(4) 0.041(3) Uani 1 1 d . . . . .
C65 C 0.2990(7) 0.2108(4) 0.3711(4) 0.028(2) Uani 1 1 d . . . . .
C66 C 0.2483(9) 0.2188(6) 0.4152(5) 0.054(3) Uani 1 1 d . . . . .
H66 H 0.2397 0.1903 0.4405 0.065 Uiso 1 1 calc R U . . .
C67 C 0.2089(11) 0.2711(7) 0.4218(6) 0.077(5) Uani 1 1 d . . . . .
H67 H 0.1785 0.2798 0.4538 0.092 Uiso 1 1 calc R U . . .
C68 C 0.2125(12) 0.3094(7) 0.3849(5) 0.070(4) Uani 1 1 d . . . . .
H68 H 0.1827 0.3434 0.3907 0.084 Uiso 1 1 calc R U . . .
C69 C 0.2596(10) 0.2997(5) 0.3383(5) 0.055(3) Uani 1 1 d . . . . .
H69 H 0.2623 0.3258 0.3114 0.066 Uiso 1 1 calc R U . . .
C70 C 0.3016(8) 0.2504(5) 0.3338(4) 0.037(2) Uani 1 1 d . . . . .
C71 C 0.5690(8) 0.1422(4) 0.2258(4) 0.037(3) Uani 1 1 d . U . . .
C72 C 0.6419(9) 0.1456(5) 0.1868(4) 0.048(3) Uani 1 1 d . . . . .
H72 H 0.6464 0.1737 0.1614 0.058 Uiso 1 1 calc R U . . .
C73 C 0.7058(10) 0.1070(6) 0.1867(5) 0.056(3) Uani 1 1 d . . . . .
H73 H 0.7547 0.1077 0.1602 0.068 Uiso 1 1 calc R U . . .
C74 C 0.7010(11) 0.0677(6) 0.2235(6) 0.068(4) Uani 1 1 d . . . . .
H74 H 0.7469 0.0415 0.2220 0.081 Uiso 1 1 calc R U . . .
C75 C 0.6301(9) 0.0640(5) 0.2646(4) 0.045(3) Uani 1 1 d . . . . .
H75 H 0.6281 0.0373 0.2909 0.054 Uiso 1 1 calc R U . . .
C76 C 0.5632(8) 0.1031(4) 0.2629(4) 0.034(2) Uani 1 1 d . . . . .
C77 C 0.6522(8) 0.1767(5) 0.3880(5) 0.045(3) Uani 1 1 d . . . . .
H77 H 0.6615 0.1442 0.3639 0.054 Uiso 1 1 calc R U . . .
C78 C 0.7403(8) 0.2195(5) 0.4092(4) 0.046(3) Uani 1 1 d . . . . .
H78 H 0.8074 0.2190 0.3976 0.055 Uiso 1 1 calc R U . . .
C79 C 0.7252(8) 0.2636(5) 0.4484(4) 0.038(2) Uani 1 1 d . . . . .
C80 C 0.6266(8) 0.2648(5) 0.4607(5) 0.045(3) Uani 1 1 d . . . . .
H80 H 0.6147 0.2954 0.4860 0.054 Uiso 1 1 calc R U . . .
C81 C 0.5458(9) 0.2222(6) 0.4366(6) 0.073(5) Uani 1 1 d . . . . .
H81 H 0.4780 0.2233 0.4467 0.088 Uiso 1 1 calc R U . . .
C82 C 0.8168(8) 0.3054(5) 0.4739(4) 0.043(3) Uani 1 1 d . . . . .
H82 H 0.8810 0.3057 0.4584 0.052 Uiso 1 1 calc R U . . .
C83 C 0.8195(8) 0.3432(5) 0.5170(4) 0.035(2) Uani 1 1 d . . . . .
H83 H 0.7553 0.3417 0.5330 0.042 Uiso 1 1 calc R U . . .
C84 C 0.9109(8) 0.3868(5) 0.5424(4) 0.038(3) Uani 1 1 d . . . . .
C85 C 1.0003(8) 0.3687(4) 0.5555(4) 0.032(2) Uani 1 1 d . . . . .
C86 C 1.0034(8) 0.3056(5) 0.5496(4) 0.039(3) Uani 1 1 d . . . . .
H86 H 0.9431 0.2748 0.5377 0.047 Uiso 1 1 calc R U . . .
C87 C 1.0923(10) 0.2898(5) 0.5611(4) 0.046(3) Uani 1 1 d . . . . .
H87 H 1.0951 0.2482 0.5542 0.055 Uiso 1 1 calc R U . . .
C88 C 1.1820(9) 0.3344(6) 0.5835(5) 0.055(3) Uani 1 1 d . . . . .
H88 H 1.2422 0.3220 0.5930 0.067 Uiso 1 1 calc R U . . .
C89 C 1.1803(9) 0.3933(5) 0.5910(4) 0.047(3) Uani 1 1 d . . . . .
H89 H 1.2404 0.4229 0.6051 0.056 Uiso 1 1 calc R U . . .
C90 C 1.0898(7) 0.4127(4) 0.5781(4) 0.034(2) Uani 1 1 d . . . . .
C91 C 1.0884(9) 0.4761(5) 0.5880(4) 0.043(3) Uani 1 1 d . . . . .
C92 C 0.9981(8) 0.4937(5) 0.5728(4) 0.039(3) Uani 1 1 d . . . . .
C93 C 0.9999(10) 0.5580(5) 0.5755(5) 0.052(3) Uani 1 1 d . . . . .
H93 H 1.0589 0.5883 0.5900 0.062 Uiso 1 1 calc R U . . .
C94 C 0.9170(12) 0.5743(6) 0.5574(5) 0.062(4) Uani 1 1 d . . . . .
H94 H 0.9200 0.6167 0.5581 0.075 Uiso 1 1 calc R U . . .
C95 C 0.8240(11) 0.5309(6) 0.5369(5) 0.061(4) Uani 1 1 d . . . . .
H95 H 0.7653 0.5435 0.5254 0.073 Uiso 1 1 calc R U . . .
C96 C 0.8248(9) 0.4693(6) 0.5350(4) 0.050(3) Uani 1 1 d . . . . .
H96 H 0.7638 0.4395 0.5225 0.060 Uiso 1 1 calc R U . . .
C97 C 0.9087(8) 0.4491(5) 0.5501(4) 0.034(2) Uani 1 1 d . . . . .
C98 C 1.1818(8) 0.5200(5) 0.6115(4) 0.040(3) Uani 1 1 d . . . . .
H98 H 1.2468 0.5197 0.5970 0.048 Uiso 1 1 calc R U . . .
C99 C 1.1787(9) 0.5607(5) 0.6529(5) 0.055(3) Uani 1 1 d . . . . .
H99 H 1.1133 0.5598 0.6674 0.065 Uiso 1 1 calc R U . . .
C100 C 1.4500(9) 0.6516(5) 0.6896(4) 0.047(3) Uani 1 1 d . . . . .
H100 H 1.5188 0.6513 0.6808 0.056 Uiso 1 1 calc R U . . .
C101 C 1.3677(8) 0.6101(6) 0.6606(5) 0.056(3) Uani 1 1 d . . . . .
H101 H 1.3801 0.5855 0.6306 0.067 Uiso 1 1 calc R U . . .
C102 C 1.2691(10) 0.6061(5) 0.6770(5) 0.057(3) Uani 1 1 d . . . . .
C103 C 1.2552(8) 0.6467(5) 0.7214(4) 0.046(3) Uani 1 1 d . . . . .
H103 H 1.1884 0.6446 0.7345 0.055 Uiso 1 1 calc R U . . .
C104 C 1.3412(9) 0.6886(5) 0.7444(4) 0.048(3) Uani 1 1 d . . . . .
H104 H 1.3318 0.7168 0.7725 0.057 Uiso 1 1 calc R U . . .
C105 C 0.3009(8) 0.0312(5) 0.3964(4) 0.040(3) Uani 1 1 d . . . . .
C106 C 0.3689(8) 0.0024(4) 0.3681(4) 0.032(2) Uani 1 1 d . U . . .
C107 C 0.4694(8) 0.0186(5) 0.3982(4) 0.040(3) Uani 1 1 d . U . . .
C108 C 0.4578(8) 0.0579(4) 0.4463(4) 0.036(2) Uani 1 1 d . U . . .
C109 C 0.3560(8) 0.0643(4) 0.4462(4) 0.032(2) Uani 1 1 d . U . . .
C110 C 0.1871(9) 0.0255(6) 0.3817(6) 0.069(4) Uani 1 1 d . . . . .
H11D H 0.1767 0.0186 0.3438 0.103 Uiso 1 1 calc R U . . .
H11E H 0.1683 0.0634 0.3945 0.103 Uiso 1 1 calc R U . . .
H11F H 0.1435 -0.0090 0.3975 0.103 Uiso 1 1 calc R U . . .
C111 C 0.3484(11) -0.0393(6) 0.3191(6) 0.080(5) Uani 1 1 d . . . . .
H11M H 0.2974 -0.0771 0.3249 0.120 Uiso 1 1 calc R U . . .
H11N H 0.4129 -0.0491 0.3080 0.120 Uiso 1 1 calc R U . . .
H11O H 0.3215 -0.0192 0.2920 0.120 Uiso 1 1 calc R U . . .
C112 C 0.5591(11) -0.0041(5) 0.3868(5) 0.061(4) Uani 1 1 d . . . . .
H11J H 0.5568 -0.0401 0.4054 0.092 Uiso 1 1 calc R U . . .
H11K H 0.6217 0.0279 0.3981 0.092 Uiso 1 1 calc R U . . .
H11L H 0.5600 -0.0154 0.3493 0.092 Uiso 1 1 calc R U . . .
C113 C 0.5389(11) 0.0845(6) 0.4887(5) 0.066(4) Uani 1 1 d . . . . .
H11G H 0.5113 0.1097 0.5151 0.099 Uiso 1 1 calc R U . . .
H11H H 0.5999 0.1099 0.4740 0.099 Uiso 1 1 calc R U . . .
H11I H 0.5583 0.0512 0.5048 0.099 Uiso 1 1 calc R U . . .
C114 C 0.3043(10) 0.0942(5) 0.4877(4) 0.051(3) Uani 1 1 d . . . . .
H11A H 0.2849 0.0668 0.5151 0.076 Uiso 1 1 calc R U . . .
H11B H 0.2420 0.1029 0.4730 0.076 Uiso 1 1 calc R U . . .
H11C H 0.3517 0.1326 0.5026 0.076 Uiso 1 1 calc R U . . .
C115 C 0.4434(9) 0.2527(5) 0.1367(4) 0.044(3) Uani 1 1 d . U . . .
C116 C 0.3408(9) 0.2269(5) 0.1503(4) 0.048(3) Uani 1 1 d . U . . .
C117 C 0.3057(9) 0.2755(5) 0.1822(4) 0.044(3) Uani 1 1 d . U . . .
C118 C 0.3915(10) 0.3281(6) 0.1889(4) 0.050(3) Uani 1 1 d . . . . .
C119 C 0.4725(9) 0.3135(5) 0.1603(4) 0.045(3) Uani 1 1 d . . . . .
C120 C 0.5033(11) 0.2198(6) 0.1018(5) 0.065(4) Uani 1 1 d . . . . .
H12J H 0.4854 0.1763 0.1073 0.097 Uiso 1 1 calc R U . . .
H12K H 0.5775 0.2372 0.1094 0.097 Uiso 1 1 calc R U . . .
H12L H 0.4867 0.2242 0.0655 0.097 Uiso 1 1 calc R U . . .
C121 C 0.2694(12) 0.1642(6) 0.1327(4) 0.073(5) Uani 1 1 d . . . . .
H12G H 0.2242 0.1678 0.1035 0.110 Uiso 1 1 calc R U . . .
H12H H 0.2271 0.1491 0.1616 0.110 Uiso 1 1 calc R U . . .
H12I H 0.3110 0.1355 0.1216 0.110 Uiso 1 1 calc R U . . .
C122 C 0.1948(10) 0.2664(6) 0.1999(6) 0.071(4) Uani 1 1 d . . . . .
H12M H 0.1917 0.2988 0.2275 0.107 Uiso 1 1 calc R U . . .
H12N H 0.1722 0.2263 0.2132 0.107 Uiso 1 1 calc R U . . .
H12O H 0.1491 0.2684 0.1704 0.107 Uiso 1 1 calc R U . . .
C123 C 0.3874(12) 0.3899(6) 0.2152(5) 0.065(4) Uani 1 1 d . . . . .
H12D H 0.4467 0.4054 0.2398 0.097 Uiso 1 1 calc R U . . .
H12E H 0.3231 0.3859 0.2339 0.097 Uiso 1 1 calc R U . . .
H12F H 0.3896 0.4186 0.1889 0.097 Uiso 1 1 calc R U . . .
C124 C 0.5798(10) 0.3608(6) 0.1522(5) 0.057(3) Uani 1 1 d . . . . .
H12A H 0.5682 0.3914 0.1300 0.086 Uiso 1 1 calc R U . . .
H12B H 0.6275 0.3388 0.1356 0.086 Uiso 1 1 calc R U . . .
H12C H 0.6098 0.3814 0.1861 0.086 Uiso 1 1 calc R U . . .
C125 C 0.4231(11) 0.2487(7) 0.5935(6) 0.073(4) Uani 1 1 d D . . . .
C126 C 0.2629(10) 0.0760(6) 0.9182(5) 0.056(3) Uani 1 1 d D . . . .
C127 C 0.8866(18) 0.2323(10) 0.0981(8) 0.112(6) Uani 1 1 d . U . . .
C128 C 0.9718(15) 0.1008(8) 0.4822(6) 0.109(6) Uani 1 1 d D U . . .
O13 O 0.4093(7) 0.3497(4) 0.7973(4) 0.071(3) Uani 1 1 d . . . . .
C129 C 0.4417(12) 0.2651(7) 0.8350(6) 0.074(4) Uani 1 1 d . . . . .
H12P H 0.5174 0.2778 0.8389 0.112 Uiso 1 1 calc R U . . .
H12Q H 0.4188 0.2202 0.8319 0.112 Uiso 1 1 calc R U . . .
H12R H 0.4117 0.2822 0.8656 0.112 Uiso 1 1 calc R U . . .
C130 C 0.4075(12) 0.2878(7) 0.7878(6) 0.073(4) Uani 1 1 d . . . . .
H13C H 0.4537 0.2821 0.7591 0.087 Uiso 1 1 calc R U . . .
H13D H 0.3364 0.2640 0.7769 0.087 Uiso 1 1 calc R U . . .
C131 C 0.3704(13) 0.3721(8) 0.7559(6) 0.084(5) Uani 1 1 d . . . . .
H13A H 0.2980 0.3486 0.7476 0.100 Uiso 1 1 calc R U . . .
H13B H 0.4115 0.3667 0.7250 0.100 Uiso 1 1 calc R U . . .
C132 C 0.3737(19) 0.4391(10) 0.7681(10) 0.143(9) Uani 1 1 d . . . . .
H13M H 0.3128 0.4432 0.7876 0.214 Uiso 1 1 calc R U . . .
H13N H 0.3737 0.4581 0.7356 0.214 Uiso 1 1 calc R U . . .
H13O H 0.4367 0.4595 0.7891 0.214 Uiso 1 1 calc R U . . .
C133 C 0.407(2) 0.4816(11) 0.3616(9) 0.166(11) Uani 1 1 d D . . . .
H13J H 0.3785 0.4447 0.3789 0.249 Uiso 1 1 calc R U . . .
H13K H 0.4474 0.5139 0.3869 0.249 Uiso 1 1 calc R U . . .
H13L H 0.4511 0.4720 0.3337 0.249 Uiso 1 1 calc R U . . .
C134 C 0.3231(19) 0.5022(10) 0.3397(11) 0.138(8) Uani 1 1 d D U . . .
H13H H 0.3503 0.5347 0.3169 0.166 Uiso 1 1 calc R U . . .
H13I H 0.2852 0.5190 0.3678 0.166 Uiso 1 1 calc R U . . .
C135 C 0.164(3) 0.4663(17) 0.2906(14) 0.238(16) Uani 1 1 d D U . . .
H13S H 0.1204 0.4696 0.3209 0.286 Uiso 1 1 calc R U . . .
H13T H 0.1886 0.5082 0.2801 0.286 Uiso 1 1 calc R U . . .
C136 C 0.096(2) 0.4311(16) 0.2488(14) 0.253(17) Uani 1 1 d D U . . .
H13P H 0.0402 0.4510 0.2424 0.380 Uiso 1 1 calc R U . . .
H13Q H 0.1351 0.4286 0.2171 0.380 Uiso 1 1 calc R U . . .
H13R H 0.0662 0.3897 0.2583 0.380 Uiso 1 1 calc R U . . .
O14 O 0.2549(14) 0.4498(8) 0.3101(9) 0.176(8) Uani 1 1 d D . . . .
C137 C 0.5164(16) 0.4273(9) 0.4773(6) 0.084(5) Uani 1 1 d . . . . .
C138 C 0.4203(14) 0.3930(9) 0.4949(8) 0.109(7) Uani 1 1 d . . . . .
H13E H 0.4313 0.3572 0.5105 0.163 Uiso 1 1 calc R U . . .
H13F H 0.3704 0.3794 0.4653 0.163 Uiso 1 1 calc R U . . .
H13G H 0.3934 0.4190 0.5209 0.163 Uiso 1 1 calc R U . . .
C139 C 0.0218(18) 0.0905(10) 0.7589(8) 0.113(7) Uani 1 1 d D . . . .
C140 C 0.1313(15) 0.1094(11) 0.7837(8) 0.128(8) Uani 1 1 d D U . . .
H14A H 0.1306 0.1323 0.8179 0.192 Uiso 1 1 calc R U . . .
H14B H 0.1777 0.1353 0.7613 0.192 Uiso 1 1 calc R U . . .
H14C H 0.1558 0.0726 0.7880 0.192 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 C47 2.114(12) . ?
Rh1 N5 2.123(8) . ?
Rh1 C44 2.141(9) . ?
Rh1 C43 2.157(10) . ?
Rh1 C45 2.167(11) . ?
Rh1 N2 2.168(8) . ?
Rh1 N1 2.177(7) . ?
Rh1 C46 2.222(10) . ?
Rh2 C53 2.135(9) . ?
Rh2 N6 2.138(8) 2_667 ?
Rh2 C54 2.140(9) . ?
Rh2 N3 2.156(7) . ?
Rh2 C55 2.168(9) . ?
Rh2 C56 2.170(10) . ?
Rh2 N4 2.170(8) . ?
Rh2 C57 2.209(9) . ?
Rh3 N11 2.117(8) . ?
Rh3 C105 2.140(11) . ?
Rh3 C107 2.155(11) . ?
Rh3 C106 2.163(9) . ?
Rh3 N8 2.164(8) . ?
Rh3 C108 2.172(9) . ?
Rh3 N7 2.185(7) . ?
Rh3 C109 2.186(9) . ?
Rh4 C118 2.113(11) . ?
Rh4 C119 2.124(10) . ?
Rh4 N9 2.130(7) . ?
Rh4 N12 2.147(8) 2_766 ?
Rh4 C117 2.162(11) . ?
Rh4 C116 2.166(10) . ?
Rh4 C115 2.179(10) . ?
Rh4 N10 2.194(9) . ?
N1 C1 1.345(12) . ?
N1 C14 1.396(12) . ?
N2 C2 1.314(11) . ?
N2 C3 1.391(12) . ?
N3 C2 1.320(11) . ?
N3 C8 1.412(12) . ?
N4 C1 1.330(12) . ?
N4 C9 1.399(11) . ?
N5 C15 1.292(13) . ?
N5 C19 1.324(15) . ?
N6 C42 1.326(13) . ?
N6 C38 1.334(13) . ?
N6 Rh2 2.138(8) 2_667 ?
N7 C63 1.343(13) . ?
N7 C76 1.414(12) . ?
N8 C64 1.359(13) . ?
N8 C65 1.402(12) . ?
N9 C64 1.298(13) . ?
N9 C70 1.466(12) . ?
N10 C63 1.320(13) . ?
N10 C71 1.420(13) . ?
N11 C77 1.337(13) . ?
N11 C81 1.346(14) . ?
N12 C104 1.329(14) . ?
N12 C100 1.331(12) . ?
N12 Rh4 2.147(8) 2_766 ?
N13 C137 1.09(2) . ?
N14 C139 1.15(2) . ?
O1 S1 1.426(9) . ?
O2 S1 1.444(9) . ?
O3 S1 1.432(8) . ?
O4 S2 1.422(9) . ?
O5 S2 1.350(11) . ?
O6 S2 1.432(13) . ?
O7 S3 1.391(14) . ?
O8 S3 1.406(14) . ?
O9 S3 1.469(14) . ?
O10 S4 1.427(10) . ?
O11 S4 1.419(12) . ?
O12 S4 1.371(12) . ?
S1 C125 1.848(15) . ?
S2 C126 1.824(12) . ?
S3 C127 1.78(2) . ?
S4 C128 1.746(19) . ?
F1 C125 1.296(15) . ?
F2 C125 1.330(14) . ?
F3 C125 1.323(16) . ?
F4 C126 1.295(15) . ?
F5 C126 1.256(14) . ?
F6 C126 1.282(13) . ?
F7 C127 1.35(2) . ?
F8 C127 1.38(2) . ?
F9 C127 1.33(2) . ?
F10 C128 1.285(14) . ?
F11 C128 1.347(16) . ?
F12 C128 1.369(15) . ?
C1 C2 1.440(13) . ?
C3 C8 1.370(14) . ?
C3 C4 1.428(14) . ?
C4 C5 1.377(16) . ?
C5 C6 1.323(17) . ?
C6 C7 1.379(16) . ?
C7 C8 1.420(14) . ?
C9 C10 1.374(14) . ?
C9 C14 1.415(14) . ?
C10 C11 1.430(14) . ?
C11 C12 1.411(16) . ?
C12 C13 1.313(15) . ?
C13 C14 1.382(14) . ?
C15 C16 1.372(14) . ?
C16 C17 1.400(15) . ?
C17 C18 1.392(16) . ?
C17 C20 1.479(14) . ?
C18 C19 1.348(16) . ?
C20 C21 1.336(16) . ?
C21 C22 1.484(14) . ?
C22 C35 1.364(15) . ?
C22 C23 1.446(15) . ?
C23 C24 1.415(16) . ?
C23 C28 1.431(15) . ?
C24 C25 1.348(17) . ?
C25 C26 1.433(18) . ?
C26 C27 1.298(18) . ?
C27 C28 1.451(17) . ?
C28 C29 1.426(16) . ?
C29 C30 1.379(16) . ?
C29 C36 1.516(15) . ?
C30 C31 1.408(16) . ?
C30 C35 1.425(14) . ?
C31 C32 1.410(17) . ?
C32 C33 1.442(18) . ?
C33 C34 1.381(18) . ?
C34 C35 1.462(16) . ?
C36 C37 1.320(16) . ?
C37 C40 1.455(15) . ?
C38 C39 1.336(14) . ?
C39 C40 1.398(15) . ?
C40 C41 1.407(16) . ?
C41 C42 1.321(15) . ?
C43 C44 1.433(15) . ?
C43 C47 1.482(12) . ?
C43 C48 1.506(15) . ?
C44 C45 1.430(14) . ?
C44 C49 1.516(13) . ?
C45 C46 1.456(15) . ?
C45 C50 1.481(15) . ?
C46 C47 1.384(14) . ?
C46 C51 1.574(12) . ?
C47 C52 1.531(13) . ?
C53 C54 1.404(15) . ?
C53 C57 1.406(15) . ?
C53 C58 1.563(15) . ?
C54 C55 1.432(14) . ?
C54 C59 1.537(16) . ?
C55 C56 1.415(15) . ?
C55 C60 1.510(12) . ?
C56 C57 1.428(14) . ?
C56 C61 1.520(14) . ?
C57 C62 1.447(16) . ?
C63 C64 1.422(14) . ?
C65 C66 1.354(15) . ?
C65 C70 1.373(14) . ?
C66 C67 1.407(16) . ?
C67 C68 1.342(19) . ?
C68 C69 1.388(17) . ?
C69 C70 1.364(15) . ?
C71 C76 1.357(14) . ?
C71 C72 1.404(14) . ?
C72 C73 1.361(16) . ?
C73 C74 1.357(18) . ?
C74 C75 1.426(16) . ?
C75 C76 1.406(15) . ?
C77 C78 1.391(15) . ?
C78 C79 1.405(15) . ?
C79 C80 1.364(15) . ?
C79 C82 1.451(15) . ?
C80 C81 1.352(15) . ?
C82 C83 1.330(14) . ?
C83 C84 1.466(14) . ?
C84 C85 1.401(14) . ?
C84 C97 1.413(14) . ?
C85 C90 1.428(13) . ?
C85 C86 1.431(14) . ?
C86 C87 1.357(15) . ?
C87 C88 1.434(16) . ?
C88 C89 1.334(16) . ?
C89 C90 1.429(14) . ?
C90 C91 1.437(14) . ?
C91 C92 1.419(15) . ?
C91 C98 1.469(15) . ?
C92 C97 1.433(14) . ?
C92 C93 1.445(15) . ?
C93 C94 1.341(18) . ?
C94 C95 1.436(19) . ?
C95 C96 1.393(17) . ?
C96 C97 1.373(15) . ?
C98 C99 1.350(16) . ?
C99 C102 1.463(15) . ?
C100 C101 1.407(15) . ?
C101 C102 1.372(16) . ?
C102 C103 1.442(16) . ?
C103 C104 1.380(15) . ?
C105 C106 1.415(14) . ?
C105 C109 1.506(14) . ?
C105 C110 1.530(16) . ?
C106 C111 1.483(15) . ?
C106 C107 1.486(15) . ?
C107 C112 1.437(16) . ?
C107 C108 1.491(14) . ?
C108 C109 1.401(14) . ?
C108 C113 1.499(15) . ?
C109 C114 1.483(14) . ?
C115 C119 1.407(15) . ?
C115 C116 1.413(16) . ?
C115 C120 1.479(17) . ?
C116 C117 1.482(16) . ?
C116 C121 1.524(15) . ?
C117 C118 1.427(16) . ?
C117 C122 1.527(17) . ?
C118 C119 1.406(16) . ?
C118 C123 1.507(17) . ?
C119 C124 1.593(16) . ?
O13 C131 1.374(17) . ?
O13 C130 1.391(16) . ?
C129 C130 1.478(19) . ?
C131 C132 1.51(2) . ?
C133 C134 1.44(2) . ?
C134 O14 1.45(2) . ?
C135 C136 1.44(2) . ?
C135 O14 1.45(2) . ?
C137 C138 1.43(3) . ?
C139 C140 1.53(2) . ?

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
C47 Rh1 N5 151.6(4) . . ?
C47 Rh1 C44 65.4(4) . . ?
N5 Rh1 C44 93.6(3) . . ?
C47 Rh1 C43 40.6(3) . . ?
N5 Rh1 C43 111.1(4) . . ?
C44 Rh1 C43 39.0(4) . . ?
C47 Rh1 C45 64.7(4) . . ?
N5 Rh1 C45 111.3(4) . . ?
C44 Rh1 C45 38.8(4) . . ?
C43 Rh1 C45 65.8(4) . . ?
C47 Rh1 N2 97.4(4) . . ?
N5 Rh1 N2 87.6(3) . . ?
C44 Rh1 N2 141.6(3) . . ?
C43 Rh1 N2 105.6(4) . . ?
C45 Rh1 N2 160.9(4) . . ?
C47 Rh1 N1 125.0(3) . . ?
N5 Rh1 N1 83.4(3) . . ?
C44 Rh1 N1 138.6(3) . . ?
C43 Rh1 N1 164.5(3) . . ?
C45 Rh1 N1 104.5(3) . . ?
N2 Rh1 N1 79.7(3) . . ?
C47 Rh1 C46 37.1(4) . . ?
N5 Rh1 C46 149.9(3) . . ?
C44 Rh1 C46 64.3(3) . . ?
C43 Rh1 C46 65.1(3) . . ?
C45 Rh1 C46 38.7(4) . . ?
N2 Rh1 C46 122.5(3) . . ?
N1 Rh1 C46 99.6(3) . . ?
C53 Rh2 N6 95.8(4) . 2_667 ?
C53 Rh2 C54 38.3(4) . . ?
N6 Rh2 C54 103.7(4) 2_667 . ?
C53 Rh2 N3 150.8(4) . . ?
N6 Rh2 N3 87.5(3) 2_667 . ?
C54 Rh2 N3 112.7(4) . . ?
C53 Rh2 C55 64.0(4) . . ?
N6 Rh2 C55 139.7(4) 2_667 . ?
C54 Rh2 C55 38.8(4) . . ?
N3 Rh2 C55 95.1(4) . . ?
C53 Rh2 C56 63.4(4) . . ?
N6 Rh2 C56 158.4(4) 2_667 . ?
C54 Rh2 C56 64.2(4) . . ?
N3 Rh2 C56 113.4(3) . . ?
C55 Rh2 C56 38.1(4) . . ?
C53 Rh2 N4 129.7(4) . . ?
N6 Rh2 N4 83.9(3) 2_667 . ?
C54 Rh2 N4 165.6(3) . . ?
N3 Rh2 N4 79.5(3) . . ?
C55 Rh2 N4 136.2(3) . . ?
C56 Rh2 N4 104.5(4) . . ?
C53 Rh2 C57 37.7(4) . . ?
N6 Rh2 C57 121.3(4) 2_667 . ?
C54 Rh2 C57 64.1(4) . . ?
N3 Rh2 C57 151.2(3) . . ?
C55 Rh2 C57 64.0(4) . . ?
C56 Rh2 C57 38.1(4) . . ?
N4 Rh2 C57 101.4(3) . . ?
N11 Rh3 C105 150.9(4) . . ?
N11 Rh3 C107 110.5(4) . . ?
C105 Rh3 C107 65.9(4) . . ?
N11 Rh3 C106 150.4(4) . . ?
C105 Rh3 C106 38.4(4) . . ?
C107 Rh3 C106 40.3(4) . . ?
N11 Rh3 N8 85.3(4) . . ?
C105 Rh3 N8 98.6(4) . . ?
C107 Rh3 N8 163.8(4) . . ?
C106 Rh3 N8 124.2(4) . . ?
N11 Rh3 C108 92.0(4) . . ?
C105 Rh3 C108 66.3(4) . . ?
C107 Rh3 C108 40.3(4) . . ?
C106 Rh3 C108 67.3(4) . . ?
N8 Rh3 C108 139.5(4) . . ?
N11 Rh3 N7 84.8(3) . . ?
C105 Rh3 N7 124.3(4) . . ?
C107 Rh3 N7 104.7(3) . . ?
C106 Rh3 N7 97.7(3) . . ?
N8 Rh3 N7 79.6(3) . . ?
C108 Rh3 N7 140.5(4) . . ?
N11 Rh3 C109 110.5(4) . . ?
C105 Rh3 C109 40.7(4) . . ?
C107 Rh3 C109 65.2(4) . . ?
C106 Rh3 C109 66.2(4) . . ?
N8 Rh3 C109 106.6(3) . . ?
C108 Rh3 C109 37.5(4) . . ?
N7 Rh3 C109 163.6(3) . . ?
C118 Rh4 C119 38.8(4) . . ?
C118 Rh4 N9 113.3(4) . . ?
C119 Rh4 N9 151.8(4) . . ?
C118 Rh4 N12 99.2(4) . 2_766 ?
C119 Rh4 N12 93.8(4) . 2_766 ?
N9 Rh4 N12 86.7(3) . 2_766 ?
C118 Rh4 C117 39.0(4) . . ?
C119 Rh4 C117 64.2(4) . . ?
N9 Rh4 C117 95.9(4) . . ?
N12 Rh4 C117 134.9(4) 2_766 . ?
C118 Rh4 C116 66.3(4) . . ?
C119 Rh4 C116 64.1(4) . . ?
N9 Rh4 C116 114.3(4) . . ?
N12 Rh4 C116 157.6(4) 2_766 . ?
C117 Rh4 C116 40.0(4) . . ?
C118 Rh4 C115 65.4(5) . . ?
C119 Rh4 C115 38.2(4) . . ?
N9 Rh4 C115 151.9(4) . . ?
N12 Rh4 C115 121.4(4) 2_766 . ?
C117 Rh4 C115 64.9(4) . . ?
C116 Rh4 C115 38.0(4) . . ?
C118 Rh4 N10 166.4(4) . . ?
C119 Rh4 N10 129.2(4) . . ?
N9 Rh4 N10 79.0(3) . . ?
N12 Rh4 N10 86.8(3) 2_766 . ?
C117 Rh4 N10 138.0(4) . . ?
C116 Rh4 N10 104.1(4) . . ?
C115 Rh4 N10 101.1(4) . . ?
C1 N1 C14 101.6(7) . . ?
C1 N1 Rh1 110.3(6) . . ?
C14 N1 Rh1 146.4(6) . . ?
C2 N2 C3 102.2(8) . . ?
C2 N2 Rh1 109.2(6) . . ?
C3 N2 Rh1 147.8(6) . . ?
C2 N3 C8 101.3(8) . . ?
C2 N3 Rh2 111.7(6) . . ?
C8 N3 Rh2 146.5(6) . . ?
C1 N4 C9 101.8(8) . . ?
C1 N4 Rh2 108.6(6) . . ?
C9 N4 Rh2 148.7(7) . . ?
C15 N5 C19 116.4(9) . . ?
C15 N5 Rh1 121.2(7) . . ?
C19 N5 Rh1 121.9(7) . . ?
C42 N6 C38 116.4(9) . . ?
C42 N6 Rh2 123.2(7) . 2_667 ?
C38 N6 Rh2 119.5(7) . 2_667 ?
C63 N7 C76 100.7(8) . . ?
C63 N7 Rh3 109.8(6) . . ?
C76 N7 Rh3 147.0(7) . . ?
C64 N8 C65 102.3(8) . . ?
C64 N8 Rh3 109.7(7) . . ?
C65 N8 Rh3 144.8(6) . . ?
C64 N9 C70 101.7(8) . . ?
C64 N9 Rh4 111.3(7) . . ?
C70 N9 Rh4 145.7(7) . . ?
C63 N10 C71 102.9(9) . . ?
C63 N10 Rh4 108.6(7) . . ?
C71 N10 Rh4 146.7(7) . . ?
C77 N11 C81 115.9(9) . . ?
C77 N11 Rh3 119.8(7) . . ?
C81 N11 Rh3 121.6(7) . . ?
C104 N12 C100 118.7(9) . . ?
C104 N12 Rh4 117.8(7) . 2_766 ?
C100 N12 Rh4 121.8(7) . 2_766 ?
O1 S1 O3 115.8(5) . . ?
O1 S1 O2 116.6(6) . . ?
O3 S1 O2 113.7(6) . . ?
O1 S1 C125 101.3(6) . . ?
O3 S1 C125 103.5(6) . . ?
O2 S1 C125 103.1(6) . . ?
O5 S2 O4 119.8(8) . . ?
O5 S2 O6 111.7(10) . . ?
O4 S2 O6 110.9(7) . . ?
O5 S2 C126 103.0(8) . . ?
O4 S2 C126 105.2(6) . . ?
O6 S2 C126 104.4(8) . . ?
O7 S3 O8 112.8(11) . . ?
O7 S3 O9 111.2(12) . . ?
O8 S3 O9 121.3(12) . . ?
O7 S3 C127 101.8(9) . . ?
O8 S3 C127 102.6(10) . . ?
O9 S3 C127 104.3(11) . . ?
O12 S4 O11 110.8(10) . . ?
O12 S4 O10 118.1(10) . . ?
O11 S4 O10 115.9(8) . . ?
O12 S4 C128 105.1(9) . . ?
O11 S4 C128 100.2(8) . . ?
O10 S4 C128 104.0(8) . . ?
N4 C1 N1 119.3(8) . . ?
N4 C1 C2 122.2(9) . . ?
N1 C1 C2 118.0(9) . . ?
N2 C2 N3 119.1(9) . . ?
N2 C2 C1 122.8(9) . . ?
N3 C2 C1 117.9(9) . . ?
C8 C3 N2 108.9(8) . . ?
C8 C3 C4 120.4(10) . . ?
N2 C3 C4 130.6(10) . . ?
C5 C4 C3 115.0(11) . . ?
C6 C5 C4 124.6(12) . . ?
C5 C6 C7 122.4(11) . . ?
C6 C7 C8 115.6(11) . . ?
C3 C8 N3 108.5(8) . . ?
C3 C8 C7 121.8(9) . . ?
N3 C8 C7 129.5(9) . . ?
C10 C9 N4 128.7(9) . . ?
C10 C9 C14 122.6(9) . . ?
N4 C9 C14 108.7(8) . . ?
C9 C10 C11 116.4(10) . . ?
C12 C11 C10 119.4(9) . . ?
C13 C12 C11 122.0(11) . . ?
C12 C13 C14 121.1(11) . . ?
C13 C14 N1 133.0(10) . . ?
C13 C14 C9 118.4(10) . . ?
N1 C14 C9 108.6(8) . . ?
N5 C15 C16 124.8(10) . . ?
C15 C16 C17 118.7(10) . . ?
C18 C17 C16 116.0(9) . . ?
C18 C17 C20 119.2(10) . . ?
C16 C17 C20 124.7(10) . . ?
C19 C18 C17 119.0(10) . . ?
N5 C19 C18 124.7(11) . . ?
C21 C20 C17 123.8(10) . . ?
C20 C21 C22 123.9(10) . . ?
C35 C22 C23 119.4(9) . . ?
C35 C22 C21 119.7(10) . . ?
C23 C22 C21 120.4(10) . . ?
C24 C23 C28 119.4(10) . . ?
C24 C23 C22 122.9(10) . . ?
C28 C23 C22 117.7(10) . . ?
C25 C24 C23 122.2(11) . . ?
C24 C25 C26 117.3(12) . . ?
C27 C26 C25 123.5(13) . . ?
C26 C27 C28 121.1(12) . . ?
C29 C28 C23 120.4(11) . . ?
C29 C28 C27 123.0(11) . . ?
C23 C28 C27 116.3(11) . . ?
C30 C29 C28 120.2(10) . . ?
C30 C29 C36 123.7(11) . . ?
C28 C29 C36 116.1(11) . . ?
C29 C30 C31 120.0(10) . . ?
C29 C30 C35 119.1(10) . . ?
C31 C30 C35 120.8(10) . . ?
C30 C31 C32 121.1(11) . . ?
C31 C32 C33 120.3(12) . . ?
C34 C33 C32 117.7(12) . . ?
C33 C34 C35 123.8(11) . . ?
C22 C35 C30 122.5(10) . . ?
C22 C35 C34 121.1(10) . . ?
C30 C35 C34 116.3(10) . . ?
C37 C36 C29 125.2(11) . . ?
C36 C37 C40 125.5(11) . . ?
N6 C38 C39 123.8(10) . . ?
C38 C39 C40 120.8(10) . . ?
C39 C40 C41 113.5(9) . . ?
C39 C40 C37 125.4(10) . . ?
C41 C40 C37 120.9(10) . . ?
C42 C41 C40 121.8(10) . . ?
C41 C42 N6 123.4(10) . . ?
C44 C43 C47 104.1(8) . . ?
C44 C43 C48 127.6(9) . . ?
C47 C43 C48 127.7(11) . . ?
C44 C43 Rh1 69.9(5) . . ?
C47 C43 Rh1 68.1(6) . . ?
C48 C43 Rh1 132.4(8) . . ?
C45 C44 C43 110.2(9) . . ?
C45 C44 C49 125.9(10) . . ?
C43 C44 C49 123.6(9) . . ?
C45 C44 Rh1 71.6(6) . . ?
C43 C44 Rh1 71.1(5) . . ?
C49 C44 Rh1 128.4(7) . . ?
C44 C45 C46 107.2(9) . . ?
C44 C45 C50 125.9(11) . . ?
C46 C45 C50 125.9(10) . . ?
C44 C45 Rh1 69.7(5) . . ?
C46 C45 Rh1 72.7(6) . . ?
C50 C45 Rh1 131.8(8) . . ?
C47 C46 C45 107.5(9) . . ?
C47 C46 C51 125.9(10) . . ?
C45 C46 C51 125.0(10) . . ?
C47 C46 Rh1 67.2(6) . . ?
C45 C46 Rh1 68.6(6) . . ?
C51 C46 Rh1 118.2(6) . . ?
C46 C47 C43 110.6(9) . . ?
C46 C47 C52 127.2(10) . . ?
C43 C47 C52 121.5(10) . . ?
C46 C47 Rh1 75.7(7) . . ?
C43 C47 Rh1 71.3(6) . . ?
C52 C47 Rh1 127.3(8) . . ?
C54 C53 C57 110.6(9) . . ?
C54 C53 C58 124.1(11) . . ?
C57 C53 C58 125.2(11) . . ?
C54 C53 Rh2 71.0(5) . . ?
C57 C53 Rh2 74.0(5) . . ?
C58 C53 Rh2 124.7(7) . . ?
C53 C54 C55 107.0(9) . . ?
C53 C54 C59 124.9(10) . . ?
C55 C54 C59 128.0(11) . . ?
C53 C54 Rh2 70.6(6) . . ?
C55 C54 Rh2 71.6(5) . . ?
C59 C54 Rh2 125.9(7) . . ?
C56 C55 C54 107.2(9) . . ?
C56 C55 C60 124.7(10) . . ?
C54 C55 C60 128.1(10) . . ?
C56 C55 Rh2 71.0(5) . . ?
C54 C55 Rh2 69.6(5) . . ?
C60 C55 Rh2 127.0(7) . . ?
C55 C56 C57 109.3(9) . . ?
C55 C56 C61 122.8(9) . . ?
C57 C56 C61 127.9(10) . . ?
C55 C56 Rh2 70.9(6) . . ?
C57 C56 Rh2 72.5(5) . . ?
C61 C56 Rh2 124.5(8) . . ?
C53 C57 C56 105.8(10) . . ?
C53 C57 C62 129.8(10) . . ?
C56 C57 C62 124.3(11) . . ?
C53 C57 Rh2 68.3(6) . . ?
C56 C57 Rh2 69.5(6) . . ?
C62 C57 Rh2 126.9(7) . . ?
N10 C63 N7 118.1(9) . . ?
N10 C63 C64 120.4(11) . . ?
N7 C63 C64 120.2(10) . . ?
N9 C64 N8 118.8(9) . . ?
N9 C64 C63 120.6(10) . . ?
N8 C64 C63 120.3(10) . . ?
C66 C65 C70 119.0(10) . . ?
C66 C65 N8 131.6(10) . . ?
C70 C65 N8 109.4(8) . . ?
C65 C66 C67 116.9(13) . . ?
C68 C67 C66 122.9(14) . . ?
C67 C68 C69 120.5(13) . . ?
C70 C69 C68 115.6(12) . . ?
C69 C70 C65 124.9(10) . . ?
C69 C70 N9 127.3(10) . . ?
C65 C70 N9 107.8(8) . . ?
C76 C71 C72 121.8(10) . . ?
C76 C71 N10 107.5(9) . . ?
C72 C71 N10 130.7(10) . . ?
C73 C72 C71 117.7(10) . . ?
C74 C73 C72 121.3(11) . . ?
C73 C74 C75 122.8(12) . . ?
C76 C75 C74 114.6(11) . . ?
C71 C76 C75 121.8(10) . . ?
C71 C76 N7 110.7(9) . . ?
C75 C76 N7 127.5(9) . . ?
N11 C77 C78 124.4(10) . . ?
C77 C78 C79 116.7(10) . . ?
C80 C79 C78 118.9(10) . . ?
C80 C79 C82 123.7(10) . . ?
C78 C79 C82 117.4(9) . . ?
C81 C80 C79 119.7(10) . . ?
N11 C81 C80 124.1(11) . . ?
C83 C82 C79 126.3(10) . . ?
C82 C83 C84 126.9(10) . . ?
C85 C84 C97 120.5(9) . . ?
C85 C84 C83 121.8(9) . . ?
C97 C84 C83 117.6(10) . . ?
C84 C85 C90 120.5(9) . . ?
C84 C85 C86 121.6(9) . . ?
C90 C85 C86 117.8(9) . . ?
C87 C86 C85 120.1(10) . . ?
C86 C87 C88 121.5(10) . . ?
C89 C88 C87 119.5(11) . . ?
C88 C89 C90 121.2(10) . . ?
C85 C90 C89 119.6(9) . . ?
C85 C90 C91 120.1(9) . . ?
C89 C90 C91 120.4(9) . . ?
C92 C91 C90 118.4(9) . . ?
C92 C91 C98 123.2(9) . . ?
C90 C91 C98 118.4(10) . . ?
C91 C92 C97 121.1(9) . . ?
C91 C92 C93 119.4(10) . . ?
C97 C92 C93 119.2(10) . . ?
C94 C93 C92 118.9(11) . . ?
C93 C94 C95 123.4(12) . . ?
C96 C95 C94 116.1(12) . . ?
C97 C96 C95 123.9(11) . . ?
C96 C97 C84 122.3(10) . . ?
C96 C97 C92 118.3(10) . . ?
C84 C97 C92 119.4(9) . . ?
C99 C98 C91 122.4(10) . . ?
C98 C99 C102 124.4(11) . . ?
N12 C100 C101 123.5(10) . . ?
C102 C101 C100 118.1(10) . . ?
C101 C102 C103 118.2(10) . . ?
C101 C102 C99 122.9(11) . . ?
C103 C102 C99 118.9(11) . . ?
C104 C103 C102 118.5(10) . . ?
N12 C104 C103 122.8(10) . . ?
C106 C105 C109 108.8(9) . . ?
C106 C105 C110 126.1(10) . . ?
C109 C105 C110 125.0(10) . . ?
C106 C105 Rh3 71.7(6) . . ?
C109 C105 Rh3 71.3(5) . . ?
C110 C105 Rh3 126.9(8) . . ?
C105 C106 C111 129.3(10) . . ?
C105 C106 C107 107.2(9) . . ?
C111 C106 C107 123.4(10) . . ?
C105 C106 Rh3 69.9(6) . . ?
C111 C106 Rh3 127.9(8) . . ?
C107 C106 Rh3 69.6(6) . . ?
C112 C107 C106 127.3(10) . . ?
C112 C107 C108 124.8(10) . . ?
C106 C107 C108 107.6(9) . . ?
C112 C107 Rh3 129.6(8) . . ?
C106 C107 Rh3 70.2(6) . . ?
C108 C107 Rh3 70.5(5) . . ?
C109 C108 C107 108.0(9) . . ?
C109 C108 C113 125.4(10) . . ?
C107 C108 C113 126.6(10) . . ?
C109 C108 Rh3 71.8(5) . . ?
C107 C108 Rh3 69.2(6) . . ?
C113 C108 Rh3 126.1(8) . . ?
C108 C109 C114 128.3(10) . . ?
C108 C109 C105 108.3(9) . . ?
C114 C109 C105 123.2(9) . . ?
C108 C109 Rh3 70.7(5) . . ?
C114 C109 Rh3 129.9(7) . . ?
C105 C109 Rh3 68.0(5) . . ?
C119 C115 C116 107.6(10) . . ?
C119 C115 C120 128.6(11) . . ?
C116 C115 C120 123.7(10) . . ?
C119 C115 Rh4 68.8(6) . . ?
C116 C115 Rh4 70.5(6) . . ?
C120 C115 Rh4 128.0(8) . . ?
C115 C116 C117 107.2(9) . . ?
C115 C116 C121 129.6(11) . . ?
C117 C116 C121 122.9(11) . . ?
C115 C116 Rh4 71.5(6) . . ?
C117 C116 Rh4 69.8(5) . . ?
C121 C116 Rh4 128.7(8) . . ?
C118 C117 C116 107.0(10) . . ?
C118 C117 C122 130.6(12) . . ?
C116 C117 C122 122.3(10) . . ?
C118 C117 Rh4 68.6(6) . . ?
C116 C117 Rh4 70.1(6) . . ?
C122 C117 Rh4 128.5(8) . . ?
C119 C118 C117 107.1(11) . . ?
C119 C118 C123 127.5(11) . . ?
C117 C118 C123 124.8(12) . . ?
C119 C118 Rh4 71.0(6) . . ?
C117 C118 Rh4 72.4(7) . . ?
C123 C118 Rh4 128.8(8) . . ?
C118 C119 C115 111.0(10) . . ?
C118 C119 C124 124.5(11) . . ?
C115 C119 C124 124.4(11) . . ?
C118 C119 Rh4 70.2(6) . . ?
C115 C119 Rh4 73.0(6) . . ?
C124 C119 Rh4 127.3(8) . . ?
F1 C125 F3 107.8(12) . . ?
F1 C125 F2 106.6(14) . . ?
F3 C125 F2 108.5(12) . . ?
F1 C125 S1 113.2(10) . . ?
F3 C125 S1 110.0(11) . . ?
F2 C125 S1 110.6(10) . . ?
F5 C126 F6 115.1(14) . . ?
F5 C126 F4 108.1(12) . . ?
F6 C126 F4 106.7(12) . . ?
F5 C126 S2 110.1(9) . . ?
F6 C126 S2 106.0(10) . . ?
F4 C126 S2 110.7(9) . . ?
F9 C127 F7 106.5(18) . . ?
F9 C127 F8 111(2) . . ?
F7 C127 F8 100.6(16) . . ?
F9 C127 S3 115.0(16) . . ?
F7 C127 S3 113.9(17) . . ?
F8 C127 S3 109.3(15) . . ?
F10 C128 F11 102.3(18) . . ?
F10 C128 F12 107.9(16) . . ?
F11 C128 F12 107.2(18) . . ?
F10 C128 S4 114.2(13) . . ?
F11 C128 S4 112.0(14) . . ?
F12 C128 S4 112.6(12) . . ?
C131 O13 C130 113.0(11) . . ?
O13 C130 C129 110.5(12) . . ?
O13 C131 C132 111.0(14) . . ?
C133 C134 O14 107.4(19) . . ?
C136 C135 O14 124(3) . . ?
C134 O14 C135 110(2) . . ?
N13 C137 C138 172(2) . . ?
N14 C139 C140 175(3) . . ?

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
C9 N4 C1 N1 1.8(11) . . . . ?
Rh2 N4 C1 N1 174.1(7) . . . . ?
C9 N4 C1 C2 -170.0(9) . . . . ?
Rh2 N4 C1 C2 2.3(11) . . . . ?
C14 N1 C1 N4 -2.0(11) . . . . ?
Rh1 N1 C1 N4 -171.6(6) . . . . ?
C14 N1 C1 C2 170.1(8) . . . . ?
Rh1 N1 C1 C2 0.5(10) . . . . ?
C3 N2 C2 N3 -1.2(12) . . . . ?
Rh1 N2 C2 N3 171.6(7) . . . . ?
C3 N2 C2 C1 -174.7(9) . . . . ?
Rh1 N2 C2 C1 -2.0(12) . . . . ?
C8 N3 C2 N2 -1.0(12) . . . . ?
Rh2 N3 C2 N2 -175.3(7) . . . . ?
C8 N3 C2 C1 172.9(9) . . . . ?
Rh2 N3 C2 C1 -1.4(11) . . . . ?
N4 C1 C2 N2 173.0(9) . . . . ?
N1 C1 C2 N2 1.1(14) . . . . ?
N4 C1 C2 N3 -0.7(14) . . . . ?
N1 C1 C2 N3 -172.6(8) . . . . ?
C2 N2 C3 C8 2.9(11) . . . . ?
Rh1 N2 C3 C8 -164.0(9) . . . . ?
C2 N2 C3 C4 179.9(11) . . . . ?
Rh1 N2 C3 C4 13(2) . . . . ?
C8 C3 C4 C5 -4.3(15) . . . . ?
N2 C3 C4 C5 179.0(11) . . . . ?
C3 C4 C5 C6 3.1(18) . . . . ?
C4 C5 C6 C7 -2(2) . . . . ?
C5 C6 C7 C8 1.3(17) . . . . ?
N2 C3 C8 N3 -3.7(11) . . . . ?
C4 C3 C8 N3 178.9(9) . . . . ?
N2 C3 C8 C7 -178.4(9) . . . . ?
C4 C3 C8 C7 4.3(16) . . . . ?
C2 N3 C8 C3 2.8(11) . . . . ?
Rh2 N3 C8 C3 173.2(9) . . . . ?
C2 N3 C8 C7 176.9(10) . . . . ?
Rh2 N3 C8 C7 -12.7(19) . . . . ?
C6 C7 C8 C3 -2.6(15) . . . . ?
C6 C7 C8 N3 -176.1(10) . . . . ?
C1 N4 C9 C10 177.6(10) . . . . ?
Rh2 N4 C9 C10 11.8(18) . . . . ?
C1 N4 C9 C14 -0.7(9) . . . . ?
Rh2 N4 C9 C14 -166.6(9) . . . . ?
N4 C9 C10 C11 179.4(9) . . . . ?
C14 C9 C10 C11 -2.5(14) . . . . ?
C9 C10 C11 C12 1.0(15) . . . . ?
C10 C11 C12 C13 1.4(18) . . . . ?
C11 C12 C13 C14 -2.4(18) . . . . ?
C12 C13 C14 N1 -178.4(11) . . . . ?
C12 C13 C14 C9 0.9(16) . . . . ?
C1 N1 C14 C13 -179.3(11) . . . . ?
Rh1 N1 C14 C13 -17.2(19) . . . . ?
C1 N1 C14 C9 1.3(10) . . . . ?
Rh1 N1 C14 C9 163.5(9) . . . . ?
C10 C9 C14 C13 1.6(14) . . . . ?
N4 C9 C14 C13 -179.9(9) . . . . ?
C10 C9 C14 N1 -178.9(8) . . . . ?
N4 C9 C14 N1 -0.4(10) . . . . ?
C19 N5 C15 C16 1.1(19) . . . . ?
Rh1 N5 C15 C16 173.2(10) . . . . ?
N5 C15 C16 C17 0.4(19) . . . . ?
C15 C16 C17 C18 2.3(17) . . . . ?
C15 C16 C17 C20 178.0(11) . . . . ?
C16 C17 C18 C19 -7(2) . . . . ?
C20 C17 C18 C19 177.6(13) . . . . ?
C15 N5 C19 C18 -6(2) . . . . ?
Rh1 N5 C19 C18 -177.9(12) . . . . ?
C17 C18 C19 N5 9(2) . . . . ?
C18 C17 C20 C21 162.9(13) . . . . ?
C16 C17 C20 C21 -12.6(19) . . . . ?
C17 C20 C21 C22 171.9(11) . . . . ?
C20 C21 C22 C35 -134.9(13) . . . . ?
C20 C21 C22 C23 52.9(18) . . . . ?
C35 C22 C23 C24 -172.7(11) . . . . ?
C21 C22 C23 C24 -0.4(17) . . . . ?
C35 C22 C23 C28 9.5(16) . . . . ?
C21 C22 C23 C28 -178.2(10) . . . . ?
C28 C23 C24 C25 -1.3(19) . . . . ?
C22 C23 C24 C25 -179.1(12) . . . . ?
C23 C24 C25 C26 4(2) . . . . ?
C24 C25 C26 C27 -5(2) . . . . ?
C25 C26 C27 C28 4(2) . . . . ?
C24 C23 C28 C29 175.1(11) . . . . ?
C22 C23 C28 C29 -7.0(16) . . . . ?
C24 C23 C28 C27 0.0(16) . . . . ?
C22 C23 C28 C27 177.9(10) . . . . ?
C26 C27 C28 C29 -176.4(13) . . . . ?
C26 C27 C28 C23 -1.5(19) . . . . ?
C23 C28 C29 C30 1.0(16) . . . . ?
C27 C28 C29 C30 175.7(11) . . . . ?
C23 C28 C29 C36 -177.4(10) . . . . ?
C27 C28 C29 C36 -2.7(16) . . . . ?
C28 C29 C30 C31 179.7(10) . . . . ?
C36 C29 C30 C31 -2.1(17) . . . . ?
C28 C29 C30 C35 2.8(16) . . . . ?
C36 C29 C30 C35 -179.0(10) . . . . ?
C29 C30 C31 C32 -176.7(11) . . . . ?
C35 C30 C31 C32 0.2(18) . . . . ?
C30 C31 C32 C33 -1.0(18) . . . . ?
C31 C32 C33 C34 1.9(19) . . . . ?
C32 C33 C34 C35 -2.1(19) . . . . ?
C23 C22 C35 C30 -6.1(16) . . . . ?
C21 C22 C35 C30 -178.4(10) . . . . ?
C23 C22 C35 C34 177.3(10) . . . . ?
C21 C22 C35 C34 5.0(16) . . . . ?
C29 C30 C35 C22 -0.2(17) . . . . ?
C31 C30 C35 C22 -177.1(11) . . . . ?
C29 C30 C35 C34 176.5(10) . . . . ?
C31 C30 C35 C34 -0.4(16) . . . . ?
C33 C34 C35 C22 178.2(12) . . . . ?
C33 C34 C35 C30 1.4(17) . . . . ?
C30 C29 C36 C37 -50.2(17) . . . . ?
C28 C29 C36 C37 128.1(13) . . . . ?
C29 C36 C37 C40 178.5(11) . . . . ?
C42 N6 C38 C39 5.0(15) . . . . ?
Rh2 N6 C38 C39 174.1(8) 2_667 . . . ?
N6 C38 C39 C40 -4.2(17) . . . . ?
C38 C39 C40 C41 -0.8(16) . . . . ?
C38 C39 C40 C37 -176.7(11) . . . . ?
C36 C37 C40 C39 1(2) . . . . ?
C36 C37 C40 C41 -174.8(13) . . . . ?
C39 C40 C41 C42 4.7(18) . . . . ?
C37 C40 C41 C42 -179.1(12) . . . . ?
C40 C41 C42 N6 -4(2) . . . . ?
C38 N6 C42 C41 -0.8(17) . . . . ?
Rh2 N6 C42 C41 -169.4(10) 2_667 . . . ?
C47 C43 C44 C45 1.2(11) . . . . ?
C48 C43 C44 C45 -170.2(10) . . . . ?
Rh1 C43 C44 C45 61.2(7) . . . . ?
C47 C43 C44 C49 175.9(9) . . . . ?
C48 C43 C44 C49 4.5(16) . . . . ?
Rh1 C43 C44 C49 -124.1(9) . . . . ?
C47 C43 C44 Rh1 -60.0(7) . . . . ?
C48 C43 C44 Rh1 128.6(11) . . . . ?
C43 C44 C45 C46 2.6(11) . . . . ?
C49 C44 C45 C46 -171.9(9) . . . . ?
Rh1 C44 C45 C46 63.5(7) . . . . ?
C43 C44 C45 C50 171.6(10) . . . . ?
C49 C44 C45 C50 -3.0(16) . . . . ?
Rh1 C44 C45 C50 -127.6(11) . . . . ?
C43 C44 C45 Rh1 -60.9(7) . . . . ?
C49 C44 C45 Rh1 124.6(10) . . . . ?
C44 C45 C46 C47 -5.6(11) . . . . ?
C50 C45 C46 C47 -174.6(10) . . . . ?
Rh1 C45 C46 C47 55.9(7) . . . . ?
C44 C45 C46 C51 -171.6(9) . . . . ?
C50 C45 C46 C51 19.4(16) . . . . ?
Rh1 C45 C46 C51 -110.2(9) . . . . ?
C44 C45 C46 Rh1 -61.5(7) . . . . ?
C50 C45 C46 Rh1 129.6(11) . . . . ?
C45 C46 C47 C43 6.5(12) . . . . ?
C51 C46 C47 C43 172.4(9) . . . . ?
Rh1 C46 C47 C43 63.3(8) . . . . ?
C45 C46 C47 C52 177.0(11) . . . . ?
C51 C46 C47 C52 -17.2(18) . . . . ?
Rh1 C46 C47 C52 -126.3(13) . . . . ?
C45 C46 C47 Rh1 -56.7(7) . . . . ?
C51 C46 C47 Rh1 109.1(10) . . . . ?
C44 C43 C47 C46 -4.8(12) . . . . ?
C48 C43 C47 C46 166.5(10) . . . . ?
Rh1 C43 C47 C46 -66.0(8) . . . . ?
C44 C43 C47 C52 -175.9(10) . . . . ?
C48 C43 C47 C52 -4.6(18) . . . . ?
Rh1 C43 C47 C52 122.9(11) . . . . ?
C44 C43 C47 Rh1 61.2(6) . . . . ?
C48 C43 C47 Rh1 -127.4(11) . . . . ?
C57 C53 C54 C55 -1.1(11) . . . . ?
C58 C53 C54 C55 -177.6(9) . . . . ?
Rh2 C53 C54 C55 62.8(7) . . . . ?
C57 C53 C54 C59 175.3(9) . . . . ?
C58 C53 C54 C59 -1.2(15) . . . . ?
Rh2 C53 C54 C59 -120.8(10) . . . . ?
C57 C53 C54 Rh2 -63.8(7) . . . . ?
C58 C53 C54 Rh2 119.6(9) . . . . ?
C53 C54 C55 C56 -0.7(11) . . . . ?
C59 C54 C55 C56 -176.9(10) . . . . ?
Rh2 C54 C55 C56 61.4(7) . . . . ?
C53 C54 C55 C60 176.3(9) . . . . ?
C59 C54 C55 C60 0.1(17) . . . . ?
Rh2 C54 C55 C60 -121.5(10) . . . . ?
C53 C54 C55 Rh2 -62.1(7) . . . . ?
C59 C54 C55 Rh2 121.6(10) . . . . ?
C54 C55 C56 C57 2.2(11) . . . . ?
C60 C55 C56 C57 -175.0(9) . . . . ?
Rh2 C55 C56 C57 62.7(7) . . . . ?
C54 C55 C56 C61 -179.9(10) . . . . ?
C60 C55 C56 C61 3.0(16) . . . . ?
Rh2 C55 C56 C61 -119.4(10) . . . . ?
C54 C55 C56 Rh2 -60.5(6) . . . . ?
C60 C55 C56 Rh2 122.4(10) . . . . ?
C54 C53 C57 C56 2.4(11) . . . . ?
C58 C53 C57 C56 178.9(9) . . . . ?
Rh2 C53 C57 C56 -59.7(7) . . . . ?
C54 C53 C57 C62 -177.3(10) . . . . ?
C58 C53 C57 C62 -0.8(17) . . . . ?
Rh2 C53 C57 C62 120.7(11) . . . . ?
C54 C53 C57 Rh2 62.0(7) . . . . ?
C58 C53 C57 Rh2 -121.5(10) . . . . ?
C55 C56 C57 C53 -2.8(11) . . . . ?
C61 C56 C57 C53 179.4(10) . . . . ?
Rh2 C56 C57 C53 58.9(6) . . . . ?
C55 C56 C57 C62 176.9(9) . . . . ?
C61 C56 C57 C62 -0.9(17) . . . . ?
Rh2 C56 C57 C62 -121.4(10) . . . . ?
C55 C56 C57 Rh2 -61.7(7) . . . . ?
C61 C56 C57 Rh2 120.5(11) . . . . ?
C71 N10 C63 N7 0.3(11) . . . . ?
Rh4 N10 C63 N7 -168.7(7) . . . . ?
C71 N10 C63 C64 167.6(9) . . . . ?
Rh4 N10 C63 C64 -1.5(11) . . . . ?
C76 N7 C63 N10 -1.6(11) . . . . ?
Rh3 N7 C63 N10 165.5(7) . . . . ?
C76 N7 C63 C64 -168.9(9) . . . . ?
Rh3 N7 C63 C64 -1.8(11) . . . . ?
C70 N9 C64 N8 0.5(12) . . . . ?
Rh4 N9 C64 N8 171.4(7) . . . . ?
C70 N9 C64 C63 -172.7(9) . . . . ?
Rh4 N9 C64 C63 -1.8(12) . . . . ?
C65 N8 C64 N9 -1.0(12) . . . . ?
Rh3 N8 C64 N9 -166.2(7) . . . . ?
C65 N8 C64 C63 172.3(9) . . . . ?
Rh3 N8 C64 C63 7.1(12) . . . . ?
N10 C63 C64 N9 2.4(15) . . . . ?
N7 C63 C64 N9 169.4(9) . . . . ?
N10 C63 C64 N8 -170.8(9) . . . . ?
N7 C63 C64 N8 -3.8(15) . . . . ?
C64 N8 C65 C66 178.7(11) . . . . ?
Rh3 N8 C65 C66 -25.9(19) . . . . ?
C64 N8 C65 C70 1.0(11) . . . . ?
Rh3 N8 C65 C70 156.4(10) . . . . ?
C70 C65 C66 C67 -5.5(16) . . . . ?
N8 C65 C66 C67 177.0(11) . . . . ?
C65 C66 C67 C68 6(2) . . . . ?
C66 C67 C68 C69 -2(2) . . . . ?
C67 C68 C69 C70 -1(2) . . . . ?
C68 C69 C70 C65 0.8(18) . . . . ?
C68 C69 C70 N9 -177.5(11) . . . . ?
C66 C65 C70 C69 2.5(16) . . . . ?
N8 C65 C70 C69 -179.4(10) . . . . ?
C66 C65 C70 N9 -178.8(9) . . . . ?
N8 C65 C70 N9 -0.8(11) . . . . ?
C64 N9 C70 C69 178.8(11) . . . . ?
Rh4 N9 C70 C69 13.9(19) . . . . ?
C64 N9 C70 C65 0.2(10) . . . . ?
Rh4 N9 C70 C65 -164.7(9) . . . . ?
C63 N10 C71 C76 1.2(10) . . . . ?
Rh4 N10 C71 C76 162.0(9) . . . . ?
C63 N10 C71 C72 -178.5(10) . . . . ?
Rh4 N10 C71 C72 -17.7(18) . . . . ?
C76 C71 C72 C73 1.4(16) . . . . ?
N10 C71 C72 C73 -178.9(11) . . . . ?
C71 C72 C73 C74 -1.5(19) . . . . ?
C72 C73 C74 C75 0(2) . . . . ?
C73 C74 C75 C76 1.8(18) . . . . ?
C72 C71 C76 C75 0.3(15) . . . . ?
N10 C71 C76 C75 -179.4(9) . . . . ?
C72 C71 C76 N7 177.5(9) . . . . ?
N10 C71 C76 N7 -2.3(10) . . . . ?
C74 C75 C76 C71 -1.8(15) . . . . ?
C74 C75 C76 N7 -178.5(10) . . . . ?
C63 N7 C76 C71 2.3(10) . . . . ?
Rh3 N7 C76 C71 -155.0(9) . . . . ?
C63 N7 C76 C75 179.3(10) . . . . ?
Rh3 N7 C76 C75 21.9(18) . . . . ?
C81 N11 C77 C78 -5.0(18) . . . . ?
Rh3 N11 C77 C78 -166.7(9) . . . . ?
N11 C77 C78 C79 6.0(18) . . . . ?
C77 C78 C79 C80 -4.7(16) . . . . ?
C77 C78 C79 C82 175.0(10) . . . . ?
C78 C79 C80 C81 2.9(18) . . . . ?
C82 C79 C80 C81 -176.8(13) . . . . ?
C77 N11 C81 C80 3(2) . . . . ?
Rh3 N11 C81 C80 164.2(12) . . . . ?
C79 C80 C81 N11 -2(2) . . . . ?
C80 C79 C82 C83 11.3(19) . . . . ?
C78 C79 C82 C83 -168.4(11) . . . . ?
C79 C82 C83 C84 -178.2(10) . . . . ?
C82 C83 C84 C85 -52.5(15) . . . . ?
C82 C83 C84 C97 123.3(12) . . . . ?
C97 C84 C85 C90 1.6(14) . . . . ?
C83 C84 C85 C90 177.2(9) . . . . ?
C97 C84 C85 C86 177.9(9) . . . . ?
C83 C84 C85 C86 -6.5(14) . . . . ?
C84 C85 C86 C87 177.9(10) . . . . ?
C90 C85 C86 C87 -5.7(14) . . . . ?
C85 C86 C87 C88 5.6(16) . . . . ?
C86 C87 C88 C89 -3.4(18) . . . . ?
C87 C88 C89 C90 1.4(18) . . . . ?
C84 C85 C90 C89 -179.8(10) . . . . ?
C86 C85 C90 C89 3.9(15) . . . . ?
C84 C85 C90 C91 0.5(15) . . . . ?
C86 C85 C90 C91 -175.9(9) . . . . ?
C88 C89 C90 C85 -1.8(17) . . . . ?
C88 C89 C90 C91 177.9(11) . . . . ?
C85 C90 C91 C92 -2.6(15) . . . . ?
C89 C90 C91 C92 177.7(10) . . . . ?
C85 C90 C91 C98 179.8(9) . . . . ?
C89 C90 C91 C98 0.0(15) . . . . ?
C90 C91 C92 C97 2.7(15) . . . . ?
C98 C91 C92 C97 -179.9(9) . . . . ?
C90 C91 C92 C93 -171.4(10) . . . . ?
C98 C91 C92 C93 6.1(16) . . . . ?
C91 C92 C93 C94 175.0(11) . . . . ?
C97 C92 C93 C94 0.9(16) . . . . ?
C92 C93 C94 C95 2.5(19) . . . . ?
C93 C94 C95 C96 -2.2(19) . . . . ?
C94 C95 C96 C97 -1.6(18) . . . . ?
C95 C96 C97 C84 -173.0(10) . . . . ?
C95 C96 C97 C92 4.7(16) . . . . ?
C85 C84 C97 C96 176.1(10) . . . . ?
C83 C84 C97 C96 0.3(14) . . . . ?
C85 C84 C97 C92 -1.6(14) . . . . ?
C83 C84 C97 C92 -177.4(9) . . . . ?
C91 C92 C97 C96 -178.4(10) . . . . ?
C93 C92 C97 C96 -4.3(15) . . . . ?
C91 C92 C97 C84 -0.6(15) . . . . ?
C93 C92 C97 C84 173.4(9) . . . . ?
C92 C91 C98 C99 51.4(16) . . . . ?
C90 C91 C98 C99 -131.1(12) . . . . ?
C91 C98 C99 C102 -178.7(11) . . . . ?
C104 N12 C100 C101 5.7(18) . . . . ?
Rh4 N12 C100 C101 170.7(10) 2_766 . . . ?
N12 C100 C101 C102 -7(2) . . . . ?
C100 C101 C102 C103 2.9(19) . . . . ?
C100 C101 C102 C99 -174.2(12) . . . . ?
C98 C99 C102 C101 -3(2) . . . . ?
C98 C99 C102 C103 -179.6(12) . . . . ?
C101 C102 C103 C104 1.7(19) . . . . ?
C99 C102 C103 C104 178.9(12) . . . . ?
C100 N12 C104 C103 -0.6(17) . . . . ?
Rh4 N12 C104 C103 -166.1(9) 2_766 . . . ?
C102 C103 C104 N12 -3.1(18) . . . . ?
C109 C105 C106 C111 174.8(11) . . . . ?
C110 C105 C106 C111 -0.4(19) . . . . ?
Rh3 C105 C106 C111 -123.2(12) . . . . ?
C109 C105 C106 C107 -2.1(11) . . . . ?
C110 C105 C106 C107 -177.3(11) . . . . ?
Rh3 C105 C106 C107 59.9(7) . . . . ?
C109 C105 C106 Rh3 -62.0(7) . . . . ?
C110 C105 C106 Rh3 122.8(12) . . . . ?
C105 C106 C107 C112 174.6(11) . . . . ?
C111 C106 C107 C112 -2.6(18) . . . . ?
Rh3 C106 C107 C112 -125.3(11) . . . . ?
C105 C106 C107 C108 0.7(11) . . . . ?
C111 C106 C107 C108 -176.5(11) . . . . ?
Rh3 C106 C107 C108 60.8(7) . . . . ?
C105 C106 C107 Rh3 -60.1(7) . . . . ?
C111 C106 C107 Rh3 122.7(11) . . . . ?
C112 C107 C108 C109 -173.0(10) . . . . ?
C106 C107 C108 C109 1.1(11) . . . . ?
Rh3 C107 C108 C109 61.7(6) . . . . ?
C112 C107 C108 C113 5.1(17) . . . . ?
C106 C107 C108 C113 179.1(10) . . . . ?
Rh3 C107 C108 C113 -120.2(11) . . . . ?
C112 C107 C108 Rh3 125.3(11) . . . . ?
C106 C107 C108 Rh3 -60.6(7) . . . . ?
C107 C108 C109 C114 173.8(9) . . . . ?
C113 C108 C109 C114 -4.3(17) . . . . ?
Rh3 C108 C109 C114 -126.1(10) . . . . ?
C107 C108 C109 C105 -2.4(11) . . . . ?
C113 C108 C109 C105 179.5(10) . . . . ?
Rh3 C108 C109 C105 57.7(6) . . . . ?
C107 C108 C109 Rh3 -60.1(7) . . . . ?
C113 C108 C109 Rh3 121.8(11) . . . . ?
C106 C105 C109 C108 2.9(11) . . . . ?
C110 C105 C109 C108 178.1(10) . . . . ?
Rh3 C105 C109 C108 -59.4(6) . . . . ?
C106 C105 C109 C114 -173.5(9) . . . . ?
C110 C105 C109 C114 1.7(16) . . . . ?
Rh3 C105 C109 C114 124.2(9) . . . . ?
C106 C105 C109 Rh3 62.3(7) . . . . ?
C110 C105 C109 Rh3 -122.5(11) . . . . ?
C119 C115 C116 C117 2.0(12) . . . . ?
C120 C115 C116 C117 -175.6(10) . . . . ?
Rh4 C115 C116 C117 61.1(7) . . . . ?
C119 C115 C116 C121 175.6(11) . . . . ?
C120 C115 C116 C121 -2.1(19) . . . . ?
Rh4 C115 C116 C121 -125.4(13) . . . . ?
C119 C115 C116 Rh4 -59.0(8) . . . . ?
C120 C115 C116 Rh4 123.3(11) . . . . ?
C115 C116 C117 C118 -3.2(12) . . . . ?
C121 C116 C117 C118 -177.3(10) . . . . ?
Rh4 C116 C117 C118 59.0(7) . . . . ?
C115 C116 C117 C122 174.2(10) . . . . ?
C121 C116 C117 C122 0.1(16) . . . . ?
Rh4 C116 C117 C122 -123.7(10) . . . . ?
C115 C116 C117 Rh4 -62.2(7) . . . . ?
C121 C116 C117 Rh4 123.8(11) . . . . ?
C116 C117 C118 C119 3.1(11) . . . . ?
C122 C117 C118 C119 -174.0(11) . . . . ?
Rh4 C117 C118 C119 63.0(7) . . . . ?
C116 C117 C118 C123 174.6(10) . . . . ?
C122 C117 C118 C123 -2.4(18) . . . . ?
Rh4 C117 C118 C123 -125.5(11) . . . . ?
C116 C117 C118 Rh4 -59.9(7) . . . . ?
C122 C117 C118 Rh4 123.0(12) . . . . ?
C117 C118 C119 C115 -1.9(12) . . . . ?
C123 C118 C119 C115 -173.2(11) . . . . ?
Rh4 C118 C119 C115 61.9(8) . . . . ?
C117 C118 C119 C124 173.9(9) . . . . ?
C123 C118 C119 C124 2.7(18) . . . . ?
Rh4 C118 C119 C124 -122.2(10) . . . . ?
C117 C118 C119 Rh4 -63.9(7) . . . . ?
C123 C118 C119 Rh4 124.9(12) . . . . ?
C116 C115 C119 C118 -0.1(13) . . . . ?
C120 C115 C119 C118 177.4(11) . . . . ?
Rh4 C115 C119 C118 -60.2(8) . . . . ?
C116 C115 C119 C124 -176.0(10) . . . . ?
C120 C115 C119 C124 1.6(18) . . . . ?
Rh4 C115 C119 C124 123.9(11) . . . . ?
C116 C115 C119 Rh4 60.1(8) . . . . ?
C120 C115 C119 Rh4 -122.4(12) . . . . ?
O1 S1 C125 F1 -56.7(12) . . . . ?
O3 S1 C125 F1 -177.0(11) . . . . ?
O2 S1 C125 F1 64.3(12) . . . . ?
O1 S1 C125 F3 -177.4(9) . . . . ?
O3 S1 C125 F3 62.3(11) . . . . ?
O2 S1 C125 F3 -56.4(11) . . . . ?
O1 S1 C125 F2 62.8(11) . . . . ?
O3 S1 C125 F2 -57.5(12) . . . . ?
O2 S1 C125 F2 -176.2(10) . . . . ?
O5 S2 C126 F5 60.9(13) . . . . ?
O4 S2 C126 F5 -65.3(12) . . . . ?
O6 S2 C126 F5 177.8(11) . . . . ?
O5 S2 C126 F6 -174.0(12) . . . . ?
O4 S2 C126 F6 59.8(12) . . . . ?
O6 S2 C126 F6 -57.1(12) . . . . ?
O5 S2 C126 F4 -58.6(13) . . . . ?
O4 S2 C126 F4 175.1(10) . . . . ?
O6 S2 C126 F4 58.2(12) . . . . ?
O7 S3 C127 F9 -69.9(18) . . . . ?
O8 S3 C127 F9 47.0(18) . . . . ?
O9 S3 C127 F9 174.3(17) . . . . ?
O7 S3 C127 F7 53.5(18) . . . . ?
O8 S3 C127 F7 170.4(16) . . . . ?
O9 S3 C127 F7 -62.3(18) . . . . ?
O7 S3 C127 F8 165.1(16) . . . . ?
O8 S3 C127 F8 -78.0(18) . . . . ?
O9 S3 C127 F8 49(2) . . . . ?
O12 S4 C128 F10 65.4(18) . . . . ?
O11 S4 C128 F10 -49.7(17) . . . . ?
O10 S4 C128 F10 -169.9(16) . . . . ?
O12 S4 C128 F11 -179.0(15) . . . . ?
O11 S4 C128 F11 66.0(15) . . . . ?
O10 S4 C128 F11 -54.3(15) . . . . ?
O12 S4 C128 F12 -58.1(16) . . . . ?
O11 S4 C128 F12 -173.1(13) . . . . ?
O10 S4 C128 F12 66.6(15) . . . . ?
C131 O13 C130 C129 -175.2(13) . . . . ?
C130 O13 C131 C132 179.9(15) . . . . ?
C133 C134 O14 C135 175(3) . . . . ?
C136 C135 O14 C134 162(4) . . . . ?

_refine_diff_density_max         2.043
_refine_diff_density_min         -2.070
_refine_diff_density_rms         0.245

####################################################################### 
# 
# 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_4-O2
_database_code_depnum_ccdc_archive 'CCDC 1575530'
_audit_update_record             
;
2017-09-20 deposited with the CCDC.
2018-01-24 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            'C104 H124 F12 N4 O36 Rh4 S4'
_chemical_formula_weight         2773.94

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh 0.0927 3.6045 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 '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                   37.892(4)
_cell_length_b                   16.2390(15)
_cell_length_c                   27.209(5)
_cell_angle_alpha                90
_cell_angle_beta                 130.389(5)
_cell_angle_gamma                90
_cell_volume                     12752(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    5663
_cell_measurement_theta_min      3.12
_cell_measurement_theta_max      70.34

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.445
_exptl_crystal_F_000             5664
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.240
_exptl_crystal_size_min          0.090
_exptl_absorpt_coefficient_mu    5.525
_shelx_estimated_absorpt_T_min   0.248
_shelx_estimated_absorpt_T_max   0.636
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.179
_exptl_absorpt_correction_T_max  0.322
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\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            33179
_diffrn_reflns_av_unetI/netI     0.0945
_diffrn_reflns_av_R_equivalents  0.0744
_diffrn_reflns_limit_h_min       -45
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_theta_min         3.122
_diffrn_reflns_theta_max         70.533
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             11959
_reflns_number_gt                4915
_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          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)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         11959
_refine_ls_number_parameters     551
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1968
_refine_ls_R_factor_gt           0.1175
_refine_ls_wR_factor_ref         0.3932
_refine_ls_wR_factor_gt          0.3393
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_restrained_S_all      1.089
_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 0.199 0.205 -0.012 5736 1661 ' '
_platon_squeeze_void_probe_radius 1.20
_platon_squeeze_details          
; 
 In asymmetric unit of this data, there were disordered 
 anions and solvents (two triflate anion and six 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 0.47374(3) 0.65691(6) 0.05668(4) 0.0954(4) Uani 1 1 d . . . . .
Rh2 Rh 0.56409(4) 0.84947(6) 0.00333(5) 0.1009(4) Uani 1 1 d . . . . .
N1 N 0.5394(3) 0.6814(7) 0.1488(5) 0.099(3) Uani 1 1 d . . . . .
N2 N 0.8920(3) 0.6599(6) 0.8949(5) 0.095(2) Uani 1 1 d . . . . .
O1 O 0.5112(3) 0.6457(4) 0.0237(4) 0.098(2) Uani 1 1 d . . . . .
O2 O 0.4780(3) 0.7827(4) 0.0343(4) 0.097(2) Uani 1 1 d . . . . .
O3 O 0.5110(3) 0.8581(4) 0.0109(4) 0.0908(19) Uani 1 1 d . . . . .
O4 O 0.5479(3) 0.7217(4) 0.0039(4) 0.095(2) Uani 1 1 d . . . . .
O5 O 0.7065(4) 0.6998(7) 0.4847(5) 0.136(3) Uani 1 1 d . . . . .
O6 O 0.7372(3) 0.6952(6) 0.5578(4) 0.124(3) Uani 1 1 d . . . . .
C1 C 0.5218(4) 0.7109(7) 0.0149(5) 0.092(3) Uani 1 1 d . . . . .
C2 C 0.5009(4) 0.7912(6) 0.0198(5) 0.077(2) Uani 1 1 d . . . . .
C3 C 0.5716(5) 0.6252(9) 0.1754(6) 0.110(4) Uani 1 1 d . . . . .
H3 H 0.5695 0.5812 0.1506 0.133 Uiso 1 1 calc R U . . .
C4 C 0.6101(5) 0.6318(11) 0.2430(7) 0.131(5) Uani 1 1 d . . . . .
H4 H 0.6345 0.5929 0.2624 0.157 Uiso 1 1 calc R U . . .
C5 C 0.6131(5) 0.6906(10) 0.2801(6) 0.112(4) Uani 1 1 d . . . . .
C6 C 0.5788(5) 0.7475(10) 0.2477(7) 0.118(4) Uani 1 1 d . . . . .
H6 H 0.5803 0.7928 0.2710 0.141 Uiso 1 1 calc R U . . .
C7 C 0.5433(5) 0.7427(8) 0.1848(6) 0.105(3) Uani 1 1 d . . . . .
H7 H 0.5200 0.7839 0.1648 0.126 Uiso 1 1 calc R U . . .
C8 C 0.6478(4) 0.6880(12) 0.3510(7) 0.129(5) Uani 1 1 d . . . . .
H8 H 0.6529 0.7368 0.3741 0.155 Uiso 1 1 calc R U . . .
C9 C 0.6713(6) 0.6247(11) 0.3832(8) 0.139(5) Uani 1 1 d . . . . .
H9 H 0.6674 0.5778 0.3593 0.166 Uiso 1 1 calc R U . . .
C10 C 0.7061(6) 0.6161(12) 0.4585(8) 0.136(5) Uani 1 1 d . . . . .
C11 C 0.7566(5) 0.6027(9) 0.4884(6) 0.116(4) Uani 1 1 d . . . . .
C12 C 0.7720(7) 0.6045(10) 0.4551(8) 0.141(6) Uani 1 1 d . . . . .
H12 H 0.7518 0.6097 0.4095 0.169 Uiso 1 1 calc R U . . .
C13 C 0.8209(7) 0.5981(11) 0.4944(10) 0.142(6) Uani 1 1 d . . . . .
H13 H 0.8336 0.6034 0.4738 0.171 Uiso 1 1 calc R U . . .
C14 C 0.8503(6) 0.5852(14) 0.5579(9) 0.158(7) Uani 1 1 d . . . . .
H14 H 0.8821 0.5736 0.5812 0.190 Uiso 1 1 calc R U . . .
C15 C 0.8312(5) 0.5899(9) 0.5888(7) 0.116(4) Uani 1 1 d . . . . .
H15 H 0.8511 0.5883 0.6346 0.139 Uiso 1 1 calc R U . . .
C16 C 0.7860(5) 0.5963(9) 0.5545(7) 0.115(4) Uani 1 1 d . . . . .
C17 C 0.7612(5) 0.6122(9) 0.5810(7) 0.121(5) Uani 1 1 d . . . . .
C18 C 0.7226(5) 0.5501(10) 0.5502(7) 0.117(4) Uani 1 1 d . . . . .
C19 C 0.7108(6) 0.5005(9) 0.5787(8) 0.120(4) Uani 1 1 d . . . . .
H19 H 0.7297 0.5004 0.6243 0.144 Uiso 1 1 calc R U . . .
C20 C 0.6705(8) 0.4493(13) 0.5403(13) 0.175(8) Uani 1 1 d . . . . .
H20 H 0.6627 0.4122 0.5589 0.211 Uiso 1 1 calc R U . . .
C21 C 0.6440(7) 0.4575(12) 0.4747(10) 0.155(7) Uani 1 1 d . . . . .
H21 H 0.6158 0.4273 0.4483 0.186 Uiso 1 1 calc R U . . .
C22 C 0.6537(5) 0.5034(9) 0.4446(7) 0.113(4) Uani 1 1 d . . . . .
H22 H 0.6348 0.5015 0.3990 0.136 Uiso 1 1 calc R U . . .
C23 C 0.6911(5) 0.5529(9) 0.4804(7) 0.125(5) Uani 1 1 d . . . . .
C24 C 0.7937(6) 0.6128(11) 0.6544(8) 0.131(5) Uani 1 1 d . . . . .
H24 H 0.8107 0.5637 0.6756 0.157 Uiso 1 1 calc R U . . .
C25 C 0.8006(5) 0.6717(12) 0.6904(7) 0.128(5) Uani 1 1 d . . . . .
H25 H 0.7841 0.7214 0.6698 0.153 Uiso 1 1 calc R U . . .
C26 C 0.8907(5) 0.5976(10) 0.8605(7) 0.119(4) Uani 1 1 d . . . . .
H26 H 0.9105 0.5513 0.8822 0.143 Uiso 1 1 calc R U . . .
C27 C 0.8603(5) 0.6015(10) 0.7935(6) 0.119(4) Uani 1 1 d . . . . .
H27 H 0.8592 0.5571 0.7698 0.143 Uiso 1 1 calc R U . . .
C28 C 0.8313(4) 0.6695(9) 0.7603(6) 0.108(4) Uani 1 1 d . . . . .
C29 C 0.8338(6) 0.7262(10) 0.7951(7) 0.128(5) Uani 1 1 d . . . . .
H29 H 0.8138 0.7722 0.7732 0.154 Uiso 1 1 calc R U . . .
C30 C 0.8636(5) 0.7267(9) 0.8632(6) 0.114(4) Uani 1 1 d . . . . .
H30 H 0.8640 0.7714 0.8860 0.137 Uiso 1 1 calc R U . . .
C31 C 0.4483(4) 0.5966(8) 0.0971(5) 0.095(3) Uani 1 1 d . . . . .
C32 C 0.4170(4) 0.6584(8) 0.0561(6) 0.097(3) Uani 1 1 d . . . . .
C33 C 0.3996(5) 0.6382(9) -0.0097(6) 0.107(4) Uani 1 1 d . . . . .
C34 C 0.4226(6) 0.5629(9) -0.0048(6) 0.120(4) Uani 1 1 d . . . . .
C35 C 0.4538(4) 0.5373(6) 0.0621(5) 0.088(3) Uani 1 1 d . . . . .
C36 C 0.4716(5) 0.5900(9) 0.1670(6) 0.118(4) Uani 1 1 d . . . . .
H36A H 0.4590 0.6319 0.1779 0.177 Uiso 1 1 calc R U . . .
H36B H 0.5050 0.5985 0.1931 0.177 Uiso 1 1 calc R U . . .
H36C H 0.4660 0.5351 0.1758 0.177 Uiso 1 1 calc R U . . .
C37 C 0.4026(7) 0.7314(10) 0.0704(10) 0.152(6) Uani 1 1 d . . . . .
H37A H 0.4066 0.7217 0.1093 0.228 Uiso 1 1 calc R U . . .
H37B H 0.3699 0.7431 0.0340 0.228 Uiso 1 1 calc R U . . .
H37C H 0.4216 0.7785 0.0775 0.228 Uiso 1 1 calc R U . . .
C38 C 0.3638(6) 0.6873(12) -0.0735(9) 0.162(7) Uani 1 1 d . . . . .
H38A H 0.3384 0.6507 -0.1061 0.243 Uiso 1 1 calc R U . . .
H38B H 0.3790 0.7091 -0.0891 0.243 Uiso 1 1 calc R U . . .
H38C H 0.3513 0.7330 -0.0652 0.243 Uiso 1 1 calc R U . . .
C39 C 0.4171(7) 0.5196(10) -0.0591(8) 0.143(6) Uani 1 1 d . . . . .
H39A H 0.4381 0.4723 -0.0416 0.214 Uiso 1 1 calc R U . . .
H39B H 0.4245 0.5581 -0.0790 0.214 Uiso 1 1 calc R U . . .
H39C H 0.3850 0.5006 -0.0916 0.214 Uiso 1 1 calc R U . . .
C40 C 0.4836(6) 0.4612(8) 0.0866(7) 0.133(5) Uani 1 1 d . . . . .
H40A H 0.4691 0.4172 0.0929 0.199 Uiso 1 1 calc R U . . .
H40B H 0.5143 0.4735 0.1277 0.199 Uiso 1 1 calc R U . . .
H40C H 0.4865 0.4434 0.0550 0.199 Uiso 1 1 calc R U . . .
C41 C 0.5798(5) 0.9676(9) -0.0154(7) 0.110(4) Uani 1 1 d . . . . .
C42 C 0.6137(7) 0.9051(11) 0.0000(10) 0.137(5) Uani 1 1 d . . . . .
C43 C 0.5930(8) 0.8440(11) -0.0424(9) 0.137(6) Uani 1 1 d . . . . .
C44 C 0.5425(7) 0.8610(10) -0.0905(8) 0.126(5) Uani 1 1 d . . . . .
C45 C 0.5355(7) 0.9373(8) -0.0731(8) 0.121(5) Uani 1 1 d . . . . .
C46 C 0.5870(6) 1.0470(8) 0.0167(10) 0.142(6) Uani 1 1 d . . . . .
H46A H 0.5804 1.0924 -0.0120 0.213 Uiso 1 1 calc R U . . .
H46B H 0.6192 1.0508 0.0569 0.213 Uiso 1 1 calc R U . . .
H46C H 0.5662 1.0505 0.0262 0.213 Uiso 1 1 calc R U . . .
C47 C 0.6620(7) 0.9094(13) 0.0537(10) 0.163(7) Uani 1 1 d . . . . .
H47A H 0.6751 0.8537 0.0656 0.245 Uiso 1 1 calc R U . . .
H47B H 0.6668 0.9350 0.0903 0.245 Uiso 1 1 calc R U . . .
H47C H 0.6774 0.9425 0.0422 0.245 Uiso 1 1 calc R U . . .
C48 C 0.6129(9) 0.7624(12) -0.0455(12) 0.182(9) Uani 1 1 d . . . . .
H48A H 0.6308 0.7743 -0.0591 0.273 Uiso 1 1 calc R U . . .
H48B H 0.5874 0.7249 -0.0766 0.273 Uiso 1 1 calc R U . . .
H48C H 0.6331 0.7366 -0.0027 0.273 Uiso 1 1 calc R U . . .
C49 C 0.5054(9) 0.8116(13) -0.1485(9) 0.188(10) Uani 1 1 d . . . . .
H49A H 0.4976 0.7640 -0.1350 0.282 Uiso 1 1 calc R U . . .
H49B H 0.5164 0.7926 -0.1706 0.282 Uiso 1 1 calc R U . . .
H49C H 0.4778 0.8459 -0.1779 0.282 Uiso 1 1 calc R U . . .
C50 C 0.4884(6) 0.9812(11) -0.1081(8) 0.152(7) Uani 1 1 d . . . . .
H50A H 0.4811 1.0139 -0.1439 0.228 Uiso 1 1 calc R U . . .
H50B H 0.4903 1.0174 -0.0777 0.228 Uiso 1 1 calc R U . . .
H50C H 0.4641 0.9399 -0.1248 0.228 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 C31 2.116(11) . ?
Rh1 O1 2.122(8) . ?
Rh1 C35 2.123(8) . ?
Rh1 N1 2.134(10) . ?
Rh1 C32 2.141(11) . ?
Rh1 C33 2.161(14) . ?
Rh1 C34 2.164(14) . ?
Rh1 O2 2.167(7) . ?
Rh2 N2 2.119(10) 7_666 ?
Rh2 C43 2.124(19) . ?
Rh2 C44 2.126(14) . ?
Rh2 C42 2.141(16) . ?
Rh2 C45 2.148(14) . ?
Rh2 O3 2.155(8) . ?
Rh2 C41 2.165(12) . ?
Rh2 O4 2.167(7) . ?
N1 C3 1.304(16) . ?
N1 C7 1.334(16) . ?
N2 C26 1.358(18) . ?
N2 C30 1.368(16) . ?
N2 Rh2 2.119(10) 7_666 ?
O1 C1 1.211(13) . ?
O2 C2 1.171(12) . ?
O3 C2 1.229(11) . ?
O4 C1 1.216(14) . ?
O5 O6 1.521(13) . ?
O5 C10 1.531(19) . ?
O6 C17 1.515(17) . ?
C1 C2 1.576(16) . ?
C3 C4 1.431(19) . ?
C4 C5 1.34(2) . ?
C5 C6 1.35(2) . ?
C5 C8 1.473(19) . ?
C6 C7 1.328(18) . ?
C8 C9 1.27(2) . ?
C9 C10 1.57(2) . ?
C10 C23 1.47(2) . ?
C10 C11 1.53(2) . ?
C11 C12 1.36(2) . ?
C11 C16 1.375(18) . ?
C12 C13 1.42(2) . ?
C13 C14 1.33(2) . ?
C14 C15 1.42(2) . ?
C15 C16 1.320(18) . ?
C16 C17 1.53(2) . ?
C17 C18 1.51(2) . ?
C17 C24 1.52(2) . ?
C18 C19 1.378(19) . ?
C18 C23 1.45(2) . ?
C19 C20 1.43(2) . ?
C20 C21 1.38(3) . ?
C21 C22 1.33(2) . ?
C22 C23 1.347(19) . ?
C24 C25 1.27(2) . ?
C25 C28 1.45(2) . ?
C26 C27 1.391(18) . ?
C27 C28 1.40(2) . ?
C28 C29 1.28(2) . ?
C29 C30 1.413(19) . ?
C31 C32 1.394(17) . ?
C31 C35 1.463(16) . ?
C31 C36 1.493(16) . ?
C32 C37 1.459(19) . ?
C32 C33 1.491(18) . ?
C33 C34 1.46(2) . ?
C33 C38 1.561(19) . ?
C34 C35 1.448(16) . ?
C34 C39 1.52(2) . ?
C35 C40 1.505(18) . ?
C41 C45 1.45(2) . ?
C41 C42 1.47(2) . ?
C41 C46 1.48(2) . ?
C42 C43 1.33(2) . ?
C42 C47 1.42(2) . ?
C43 C44 1.48(3) . ?
C43 C48 1.55(2) . ?
C44 C45 1.41(2) . ?
C44 C49 1.49(2) . ?
C45 C50 1.55(2) . ?

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
C31 Rh1 O1 146.7(4) . . ?
C31 Rh1 C35 40.4(4) . . ?
O1 Rh1 C35 108.4(4) . . ?
C31 Rh1 N1 93.0(4) . . ?
O1 Rh1 N1 85.6(4) . . ?
C35 Rh1 N1 106.6(4) . . ?
C31 Rh1 C32 38.2(5) . . ?
O1 Rh1 C32 160.4(4) . . ?
C35 Rh1 C32 67.1(5) . . ?
N1 Rh1 C32 114.0(4) . . ?
C31 Rh1 C33 65.5(5) . . ?
O1 Rh1 C33 119.9(4) . . ?
C35 Rh1 C33 66.5(5) . . ?
N1 Rh1 C33 154.6(5) . . ?
C32 Rh1 C33 40.6(5) . . ?
C31 Rh1 C34 66.0(5) . . ?
O1 Rh1 C34 97.0(5) . . ?
C35 Rh1 C34 39.5(5) . . ?
N1 Rh1 C34 144.9(5) . . ?
C32 Rh1 C34 67.1(6) . . ?
C33 Rh1 C34 39.4(6) . . ?
C31 Rh1 O2 136.4(4) . . ?
O1 Rh1 O2 76.7(3) . . ?
C35 Rh1 O2 167.5(4) . . ?
N1 Rh1 O2 85.0(4) . . ?
C32 Rh1 O2 104.1(4) . . ?
C33 Rh1 O2 101.0(4) . . ?
C34 Rh1 O2 129.8(4) . . ?
N2 Rh2 C43 119.7(6) 7_666 . ?
N2 Rh2 C44 160.3(6) 7_666 . ?
C43 Rh2 C44 40.9(7) . . ?
N2 Rh2 C42 96.8(6) 7_666 . ?
C43 Rh2 C42 36.2(6) . . ?
C44 Rh2 C42 65.0(7) . . ?
N2 Rh2 C45 142.1(5) 7_666 . ?
C43 Rh2 C45 65.8(7) . . ?
C44 Rh2 C45 38.6(6) . . ?
C42 Rh2 C45 65.5(7) . . ?
N2 Rh2 O3 82.6(3) 7_666 . ?
C43 Rh2 O3 157.7(6) . . ?
C44 Rh2 O3 116.9(6) . . ?
C42 Rh2 O3 151.2(5) . . ?
C45 Rh2 O3 97.6(5) . . ?
N2 Rh2 C41 105.6(5) 7_666 . ?
C43 Rh2 C41 64.9(6) . . ?
C44 Rh2 C41 65.8(6) . . ?
C42 Rh2 C41 39.9(6) . . ?
C45 Rh2 C41 39.4(5) . . ?
O3 Rh2 C41 112.4(5) . . ?
N2 Rh2 O4 84.7(3) 7_666 . ?
C43 Rh2 O4 102.7(5) . . ?
C44 Rh2 O4 101.7(5) . . ?
C42 Rh2 O4 131.7(5) . . ?
C45 Rh2 O4 132.5(5) . . ?
O3 Rh2 O4 77.0(3) . . ?
C41 Rh2 O4 166.6(5) . . ?
C3 N1 C7 119.8(11) . . ?
C3 N1 Rh1 118.7(10) . . ?
C7 N1 Rh1 119.4(9) . . ?
C26 N2 C30 119.6(12) . . ?
C26 N2 Rh2 119.6(9) . 7_666 ?
C30 N2 Rh2 120.7(9) . 7_666 ?
C1 O1 Rh1 114.1(8) . . ?
C2 O2 Rh1 114.3(7) . . ?
C2 O3 Rh2 113.1(7) . . ?
C1 O4 Rh2 114.7(8) . . ?
O6 O5 C10 109.5(10) . . ?
C17 O6 O5 109.4(10) . . ?
O1 C1 O4 126.9(12) . . ?
O1 C1 C2 117.2(11) . . ?
O4 C1 C2 115.9(10) . . ?
O2 C2 O3 124.4(10) . . ?
O2 C2 C1 117.1(8) . . ?
O3 C2 C1 118.4(9) . . ?
N1 C3 C4 117.9(13) . . ?
C5 C4 C3 122.7(15) . . ?
C4 C5 C6 114.8(14) . . ?
C4 C5 C8 122.3(17) . . ?
C6 C5 C8 122.6(15) . . ?
C7 C6 C5 122.9(15) . . ?
C6 C7 N1 121.8(13) . . ?
C9 C8 C5 124.1(19) . . ?
C8 C9 C10 126.5(17) . . ?
C23 C10 O5 108.6(14) . . ?
C23 C10 C11 111.2(14) . . ?
O5 C10 C11 104.3(13) . . ?
C23 C10 C9 111.8(15) . . ?
O5 C10 C9 106.0(13) . . ?
C11 C10 C9 114.3(15) . . ?
C12 C11 C16 122.6(16) . . ?
C12 C11 C10 124.7(15) . . ?
C16 C11 C10 112.4(15) . . ?
C11 C12 C13 114.2(17) . . ?
C14 C13 C12 125.0(19) . . ?
C13 C14 C15 116.2(17) . . ?
C16 C15 C14 120.5(15) . . ?
C15 C16 C11 120.9(16) . . ?
C15 C16 C17 126.2(14) . . ?
C11 C16 C17 112.1(13) . . ?
C18 C17 O6 105.1(11) . . ?
C18 C17 C24 113.8(13) . . ?
O6 C17 C24 107.3(13) . . ?
C18 C17 C16 107.1(13) . . ?
O6 C17 C16 109.9(12) . . ?
C24 C17 C16 113.3(12) . . ?
C19 C18 C23 117.7(15) . . ?
C19 C18 C17 129.0(14) . . ?
C23 C18 C17 112.8(14) . . ?
C18 C19 C20 120.8(16) . . ?
C21 C20 C19 115.3(17) . . ?
C22 C21 C20 126.5(17) . . ?
C21 C22 C23 118.2(16) . . ?
C22 C23 C18 121.2(16) . . ?
C22 C23 C10 128.6(15) . . ?
C18 C23 C10 110.3(13) . . ?
C25 C24 C17 127.2(17) . . ?
C24 C25 C28 125.7(18) . . ?
N2 C26 C27 119.9(14) . . ?
C26 C27 C28 121.3(14) . . ?
C29 C28 C27 116.1(13) . . ?
C29 C28 C25 124.3(15) . . ?
C27 C28 C25 119.6(15) . . ?
C28 C29 C30 125.9(15) . . ?
N2 C30 C29 117.1(14) . . ?
C32 C31 C35 111.1(10) . . ?
C32 C31 C36 124.4(12) . . ?
C35 C31 C36 124.5(11) . . ?
C32 C31 Rh1 71.9(6) . . ?
C35 C31 Rh1 70.1(6) . . ?
C36 C31 Rh1 127.1(9) . . ?
C31 C32 C37 130.0(14) . . ?
C31 C32 C33 106.7(11) . . ?
C37 C32 C33 123.2(14) . . ?
C31 C32 Rh1 69.9(7) . . ?
C37 C32 Rh1 123.6(10) . . ?
C33 C32 Rh1 70.4(7) . . ?
C34 C33 C32 107.6(11) . . ?
C34 C33 C38 124.7(14) . . ?
C32 C33 C38 127.7(15) . . ?
C34 C33 Rh1 70.4(8) . . ?
C32 C33 Rh1 69.0(7) . . ?
C38 C33 Rh1 125.5(11) . . ?
C35 C34 C33 108.1(12) . . ?
C35 C34 C39 125.0(15) . . ?
C33 C34 C39 126.9(13) . . ?
C35 C34 Rh1 68.8(6) . . ?
C33 C34 Rh1 70.2(8) . . ?
C39 C34 Rh1 124.6(12) . . ?
C34 C35 C31 106.5(11) . . ?
C34 C35 C40 124.0(12) . . ?
C31 C35 C40 129.4(10) . . ?
C34 C35 Rh1 71.8(6) . . ?
C31 C35 Rh1 69.6(6) . . ?
C40 C35 Rh1 125.7(9) . . ?
C45 C41 C42 105.0(15) . . ?
C45 C41 C46 125.0(14) . . ?
C42 C41 C46 129.9(15) . . ?
C45 C41 Rh2 69.7(7) . . ?
C42 C41 Rh2 69.2(8) . . ?
C46 C41 Rh2 127.4(11) . . ?
C43 C42 C47 125.0(19) . . ?
C43 C42 C41 110.7(18) . . ?
C47 C42 C41 124.3(19) . . ?
C43 C42 Rh2 71.2(11) . . ?
C47 C42 Rh2 123.9(15) . . ?
C41 C42 Rh2 70.9(8) . . ?
C42 C43 C44 109.1(17) . . ?
C42 C43 C48 131(2) . . ?
C44 C43 C48 120.3(18) . . ?
C42 C43 Rh2 72.6(11) . . ?
C44 C43 Rh2 69.6(10) . . ?
C48 C43 Rh2 121.4(11) . . ?
C45 C44 C43 106.4(15) . . ?
C45 C44 C49 125(2) . . ?
C43 C44 C49 128.7(19) . . ?
C45 C44 Rh2 71.5(8) . . ?
C43 C44 Rh2 69.5(9) . . ?
C49 C44 Rh2 126.0(11) . . ?
C44 C45 C41 108.8(16) . . ?
C44 C45 C50 126.1(17) . . ?
C41 C45 C50 125.0(15) . . ?
C44 C45 Rh2 69.8(8) . . ?
C41 C45 Rh2 71.0(8) . . ?
C50 C45 Rh2 124.0(10) . . ?

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
C10 O5 O6 C17 5.9(15) . . . . ?
Rh1 O1 C1 O4 170.2(9) . . . . ?
Rh1 O1 C1 C2 -8.0(12) . . . . ?
Rh2 O4 C1 O1 -172.5(9) . . . . ?
Rh2 O4 C1 C2 5.7(12) . . . . ?
Rh1 O2 C2 O3 -173.3(8) . . . . ?
Rh1 O2 C2 C1 3.6(12) . . . . ?
Rh2 O3 C2 O2 168.7(9) . . . . ?
Rh2 O3 C2 C1 -8.1(11) . . . . ?
O1 C1 C2 O2 3.0(15) . . . . ?
O4 C1 C2 O2 -175.3(10) . . . . ?
O1 C1 C2 O3 -179.9(10) . . . . ?
O4 C1 C2 O3 1.8(15) . . . . ?
C7 N1 C3 C4 0(2) . . . . ?
Rh1 N1 C3 C4 -163.1(11) . . . . ?
N1 C3 C4 C5 3(3) . . . . ?
C3 C4 C5 C6 -5(3) . . . . ?
C3 C4 C5 C8 167.9(15) . . . . ?
C4 C5 C6 C7 4(2) . . . . ?
C8 C5 C6 C7 -169.0(15) . . . . ?
C5 C6 C7 N1 -1(2) . . . . ?
C3 N1 C7 C6 -1(2) . . . . ?
Rh1 N1 C7 C6 161.9(11) . . . . ?
C4 C5 C8 C9 -14(3) . . . . ?
C6 C5 C8 C9 158.5(18) . . . . ?
C5 C8 C9 C10 -175.5(16) . . . . ?
O6 O5 C10 C23 55.9(15) . . . . ?
O6 O5 C10 C11 -62.8(16) . . . . ?
O6 O5 C10 C9 176.2(12) . . . . ?
C8 C9 C10 C23 117(2) . . . . ?
C8 C9 C10 O5 -1(3) . . . . ?
C8 C9 C10 C11 -115(2) . . . . ?
C23 C10 C11 C12 133.1(17) . . . . ?
O5 C10 C11 C12 -110.0(17) . . . . ?
C9 C10 C11 C12 5(2) . . . . ?
C23 C10 C11 C16 -52.8(19) . . . . ?
O5 C10 C11 C16 64.0(17) . . . . ?
C9 C10 C11 C16 179.4(15) . . . . ?
C16 C11 C12 C13 1(2) . . . . ?
C10 C11 C12 C13 174.3(15) . . . . ?
C11 C12 C13 C14 5(3) . . . . ?
C12 C13 C14 C15 -9(3) . . . . ?
C13 C14 C15 C16 8(3) . . . . ?
C14 C15 C16 C11 -3(2) . . . . ?
C14 C15 C16 C17 -172.1(16) . . . . ?
C12 C11 C16 C15 -1(3) . . . . ?
C10 C11 C16 C15 -175.6(15) . . . . ?
C12 C11 C16 C17 169.0(14) . . . . ?
C10 C11 C16 C17 -5.2(19) . . . . ?
O5 O6 C17 C18 -62.2(15) . . . . ?
O5 O6 C17 C24 176.4(11) . . . . ?
O5 O6 C17 C16 52.8(13) . . . . ?
C15 C16 C17 C18 -131.7(16) . . . . ?
C11 C16 C17 C18 58.6(16) . . . . ?
C15 C16 C17 O6 114.7(16) . . . . ?
C11 C16 C17 O6 -55.0(16) . . . . ?
C15 C16 C17 C24 -5(2) . . . . ?
C11 C16 C17 C24 -175.0(13) . . . . ?
O6 C17 C18 C19 -110.6(17) . . . . ?
C24 C17 C18 C19 6(2) . . . . ?
C16 C17 C18 C19 132.6(17) . . . . ?
O6 C17 C18 C23 60.6(17) . . . . ?
C24 C17 C18 C23 177.7(14) . . . . ?
C16 C17 C18 C23 -56.2(16) . . . . ?
C23 C18 C19 C20 4(2) . . . . ?
C17 C18 C19 C20 175.3(17) . . . . ?
C18 C19 C20 C21 -4(3) . . . . ?
C19 C20 C21 C22 5(4) . . . . ?
C20 C21 C22 C23 -6(3) . . . . ?
C21 C22 C23 C18 6(3) . . . . ?
C21 C22 C23 C10 -172.2(18) . . . . ?
C19 C18 C23 C22 -6(2) . . . . ?
C17 C18 C23 C22 -178.0(15) . . . . ?
C19 C18 C23 C10 173.1(14) . . . . ?
C17 C18 C23 C10 1(2) . . . . ?
O5 C10 C23 C22 118.7(18) . . . . ?
C11 C10 C23 C22 -127.1(18) . . . . ?
C9 C10 C23 C22 2(3) . . . . ?
O5 C10 C23 C18 -60.0(17) . . . . ?
C11 C10 C23 C18 54.2(18) . . . . ?
C9 C10 C23 C18 -176.6(14) . . . . ?
C18 C17 C24 C25 -116.9(19) . . . . ?
O6 C17 C24 C25 -1(2) . . . . ?
C16 C17 C24 C25 120(2) . . . . ?
C17 C24 C25 C28 178.9(15) . . . . ?
C30 N2 C26 C27 -1(2) . . . . ?
Rh2 N2 C26 C27 176.9(11) 7_666 . . . ?
N2 C26 C27 C28 1(2) . . . . ?
C26 C27 C28 C29 -2(2) . . . . ?
C26 C27 C28 C25 179.2(14) . . . . ?
C24 C25 C28 C29 -171.9(18) . . . . ?
C24 C25 C28 C27 7(3) . . . . ?
C27 C28 C29 C30 1(3) . . . . ?
C25 C28 C29 C30 -179.4(15) . . . . ?
C26 N2 C30 C29 0(2) . . . . ?
Rh2 N2 C30 C29 -177.0(11) 7_666 . . . ?
C28 C29 C30 N2 -1(3) . . . . ?
C35 C31 C32 C37 -176.9(13) . . . . ?
C36 C31 C32 C37 5(2) . . . . ?
Rh1 C31 C32 C37 -117.6(14) . . . . ?
C35 C31 C32 C33 1.9(13) . . . . ?
C36 C31 C32 C33 -175.8(11) . . . . ?
Rh1 C31 C32 C33 61.2(8) . . . . ?
C35 C31 C32 Rh1 -59.3(8) . . . . ?
C36 C31 C32 Rh1 123.0(12) . . . . ?
C31 C32 C33 C34 -0.7(14) . . . . ?
C37 C32 C33 C34 178.2(13) . . . . ?
Rh1 C32 C33 C34 60.1(10) . . . . ?
C31 C32 C33 C38 179.8(14) . . . . ?
C37 C32 C33 C38 -1(2) . . . . ?
Rh1 C32 C33 C38 -119.3(15) . . . . ?
C31 C32 C33 Rh1 -60.8(8) . . . . ?
C37 C32 C33 Rh1 118.0(13) . . . . ?
C32 C33 C34 C35 -0.7(15) . . . . ?
C38 C33 C34 C35 178.8(13) . . . . ?
Rh1 C33 C34 C35 58.5(9) . . . . ?
C32 C33 C34 C39 -178.2(14) . . . . ?
C38 C33 C34 C39 1(3) . . . . ?
Rh1 C33 C34 C39 -118.9(16) . . . . ?
C32 C33 C34 Rh1 -59.2(9) . . . . ?
C38 C33 C34 Rh1 120.2(15) . . . . ?
C33 C34 C35 C31 1.8(14) . . . . ?
C39 C34 C35 C31 179.3(14) . . . . ?
Rh1 C34 C35 C31 61.2(7) . . . . ?
C33 C34 C35 C40 179.2(12) . . . . ?
C39 C34 C35 C40 -3(2) . . . . ?
Rh1 C34 C35 C40 -121.3(12) . . . . ?
C33 C34 C35 Rh1 -59.4(10) . . . . ?
C39 C34 C35 Rh1 118.1(16) . . . . ?
C32 C31 C35 C34 -2.3(13) . . . . ?
C36 C31 C35 C34 175.4(12) . . . . ?
Rh1 C31 C35 C34 -62.7(8) . . . . ?
C32 C31 C35 C40 -179.6(12) . . . . ?
C36 C31 C35 C40 -2(2) . . . . ?
Rh1 C31 C35 C40 120.0(13) . . . . ?
C32 C31 C35 Rh1 60.4(8) . . . . ?
C36 C31 C35 Rh1 -121.9(12) . . . . ?
C45 C41 C42 C43 -0.5(18) . . . . ?
C46 C41 C42 C43 -177.7(16) . . . . ?
Rh2 C41 C42 C43 60.4(13) . . . . ?
C45 C41 C42 C47 -179.4(17) . . . . ?
C46 C41 C42 C47 3(3) . . . . ?
Rh2 C41 C42 C47 -118.6(19) . . . . ?
C45 C41 C42 Rh2 -60.9(8) . . . . ?
C46 C41 C42 Rh2 122.0(16) . . . . ?
C47 C42 C43 C44 179.0(17) . . . . ?
C41 C42 C43 C44 0(2) . . . . ?
Rh2 C42 C43 C44 60.3(12) . . . . ?
C47 C42 C43 C48 2(3) . . . . ?
C41 C42 C43 C48 -176.9(16) . . . . ?
Rh2 C42 C43 C48 -116.7(19) . . . . ?
C47 C42 C43 Rh2 119(2) . . . . ?
C41 C42 C43 Rh2 -60.2(11) . . . . ?
C42 C43 C44 C45 0.3(19) . . . . ?
C48 C43 C44 C45 177.7(13) . . . . ?
Rh2 C43 C44 C45 62.5(9) . . . . ?
C42 C43 C44 C49 177.6(15) . . . . ?
C48 C43 C44 C49 -5(2) . . . . ?
Rh2 C43 C44 C49 -120.2(16) . . . . ?
C42 C43 C44 Rh2 -62.2(13) . . . . ?
C48 C43 C44 Rh2 115.2(15) . . . . ?
C43 C44 C45 C41 -0.6(15) . . . . ?
C49 C44 C45 C41 -178.0(13) . . . . ?
Rh2 C44 C45 C41 60.5(9) . . . . ?
C43 C44 C45 C50 -179.1(13) . . . . ?
C49 C44 C45 C50 3(2) . . . . ?
Rh2 C44 C45 C50 -118.0(13) . . . . ?
C43 C44 C45 Rh2 -61.1(10) . . . . ?
C49 C44 C45 Rh2 121.5(14) . . . . ?
C42 C41 C45 C44 0.7(14) . . . . ?
C46 C41 C45 C44 178.1(13) . . . . ?
Rh2 C41 C45 C44 -59.8(9) . . . . ?
C42 C41 C45 C50 179.2(13) . . . . ?
C46 C41 C45 C50 -3(2) . . . . ?
Rh2 C41 C45 C50 118.7(13) . . . . ?
C42 C41 C45 Rh2 60.5(9) . . . . ?
C46 C41 C45 Rh2 -122.1(14) . . . . ?

_refine_diff_density_max         2.018
_refine_diff_density_min         -0.544
_refine_diff_density_rms         0.142

####################################################################### 
# 
# 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_6-O2
_database_code_depnum_ccdc_archive 'CCDC 1575534'
_audit_update_record             
;
2017-09-20 deposited with the CCDC.
2018-01-24 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            'C136 H148 F12 N12 O26 Rh4 S4'
_chemical_formula_weight         3134.54

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                   21.637(3)
_cell_length_b                   14.6321(17)
_cell_length_c                   23.470(3)
_cell_angle_alpha                90
_cell_angle_beta                 100.052(2)
_cell_angle_gamma                90
_cell_volume                     7316.4(14)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    7591
_cell_measurement_theta_min      2.25
_cell_measurement_theta_max      26.40

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.423
_exptl_crystal_F_000             3216
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.410
_exptl_crystal_size_mid          0.310
_exptl_crystal_size_min          0.250
_exptl_absorpt_coefficient_mu    0.586
_shelx_estimated_absorpt_T_min   0.795
_shelx_estimated_absorpt_T_max   0.867
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.618
_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            49258
_diffrn_reflns_av_unetI/netI     0.0854
_diffrn_reflns_av_R_equivalents  0.0675
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         0.956
_diffrn_reflns_theta_max         26.949
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             15657
_reflns_number_gt                9387
_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 triflate anion was disordered and it was divided into 
 two parts (48:52). F8 was refined isotropically and other 
 non-hydrogen atoms were refined anisotropically. 19 ISOR, 1 
 SIMU and 24 DFIX instructions were used to restrain anions, 
 solvents and Cp* fragments so that there were 204 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)+(0.1672P)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         15657
_refine_ls_number_parameters     874
_refine_ls_number_restraints     204
_refine_ls_R_factor_all          0.1230
_refine_ls_R_factor_gt           0.0799
_refine_ls_wR_factor_ref         0.2558
_refine_ls_wR_factor_gt          0.2271
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_restrained_S_all      1.014
_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 0.500 0.000 0.500 615 158 ' '
2 0.500 0.500 0.000 615 158 ' '
_platon_squeeze_void_probe_radius 1.20
_platon_squeeze_details          
; 
 In asymmetric unit of this data, there were disordered 
 solvents (three acetonitrile 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 0.07049(2) 0.24688(3) 0.23079(2) 0.02911(16) Uani 1 1 d . . . . .
Rh2 Rh 0.23366(2) 0.67940(3) 0.11254(2) 0.03018(16) Uani 1 1 d . . . . .
N1 N 0.1461(2) 0.2600(3) 0.3006(2) 0.0289(11) Uani 1 1 d . . . . .
N2 N 0.6971(2) 0.3332(3) 0.8127(2) 0.0320(12) Uani 1 1 d . . . . .
O1 O 0.06916(18) 0.3907(3) 0.23035(17) 0.0294(9) Uani 1 1 d . . . . .
O2 O 0.13743(19) 0.2799(3) 0.17767(18) 0.0313(9) Uani 1 1 d . . . . .
O3 O 0.23471(19) 0.5337(3) 0.11056(19) 0.0355(10) Uani 1 1 d . . . . .
O4 O 0.16837(18) 0.6429(3) 0.16537(18) 0.0298(9) Uani 1 1 d . . . . .
O5 O 0.3997(2) 0.3042(3) 0.5273(2) 0.0378(11) Uani 1 1 d . . . . .
O6 O 0.4524(2) 0.3111(3) 0.5777(2) 0.0343(10) Uani 1 1 d . . . . .
O7 O 0.1499(4) 0.6802(5) 0.4250(3) 0.092(2) Uani 1 1 d D . . . .
O8 O 0.2170(4) 0.5507(6) 0.4526(4) 0.123(3) Uani 1 1 d . U . . .
O9 O 0.2619(3) 0.6828(6) 0.4057(4) 0.111(3) Uani 1 1 d . . . . .
S1 S 0.20809(16) 0.6333(2) 0.41424(14) 0.0971(10) Uani 1 1 d D . . . .
F1 F 0.1312(4) 0.5403(6) 0.3399(4) 0.133(3) Uani 1 1 d D . . . .
F2 F 0.1733(4) 0.6565(5) 0.3064(3) 0.105(2) Uani 1 1 d . . . . .
F3 F 0.2308(4) 0.5355(5) 0.3313(4) 0.157(4) Uani 1 1 d . . . . .
C1 C 0.1082(3) 0.4284(4) 0.2039(2) 0.0237(12) Uani 1 1 d . . . . .
C2 C 0.1478(3) 0.3652(4) 0.1731(2) 0.0290(13) Uani 1 1 d . . . . .
C3 C 0.1918(3) 0.4006(4) 0.1430(3) 0.0299(13) Uani 1 1 d . . . . .
H3 H 0.2177 0.3609 0.1254 0.036 Uiso 1 1 calc R U . . .
C4 C 0.1979(3) 0.4957(4) 0.1388(2) 0.0281(13) Uani 1 1 d . . . . .
C5 C 0.1584(3) 0.5574(4) 0.1706(3) 0.0265(12) Uani 1 1 d . . . . .
C6 C 0.1169(3) 0.5220(4) 0.2019(3) 0.0290(13) Uani 1 1 d . . . . .
H6 H 0.0938 0.5616 0.2225 0.035 Uiso 1 1 calc R U . . .
C7 C 0.1442(3) 0.3248(4) 0.3416(3) 0.0352(14) Uani 1 1 d . . . . .
H7 H 0.1083 0.3631 0.3385 0.042 Uiso 1 1 calc R U . . .
C8 C 0.1912(3) 0.3365(5) 0.3864(3) 0.0408(16) Uani 1 1 d . . . . .
H8 H 0.1878 0.3828 0.4140 0.049 Uiso 1 1 calc R U . . .
C9 C 0.2450(3) 0.2822(4) 0.3934(3) 0.0365(15) Uani 1 1 d . . . . .
C10 C 0.2458(3) 0.2173(5) 0.3502(3) 0.0443(17) Uani 1 1 d . . . . .
H10 H 0.2817 0.1794 0.3515 0.053 Uiso 1 1 calc R U . . .
C11 C 0.1974(3) 0.2072(5) 0.3068(3) 0.0377(15) Uani 1 1 d . . . . .
H11 H 0.1994 0.1605 0.2790 0.045 Uiso 1 1 calc R U . . .
C12 C 0.2972(3) 0.2943(5) 0.4406(3) 0.0388(15) Uani 1 1 d . . . . .
H12 H 0.3295 0.2495 0.4451 0.047 Uiso 1 1 calc R U . . .
C13 C 0.3034(3) 0.3636(5) 0.4783(3) 0.0371(15) Uani 1 1 d . . . . .
H13 H 0.2706 0.4077 0.4729 0.045 Uiso 1 1 calc R U . . .
C14 C 0.3554(3) 0.3796(4) 0.5274(3) 0.0304(13) Uani 1 1 d . . . . .
C15 C 0.3339(3) 0.3747(4) 0.5862(3) 0.0331(14) Uani 1 1 d . . . . .
C16 C 0.2733(3) 0.3601(5) 0.5969(4) 0.0447(17) Uani 1 1 d . . . . .
H16 H 0.2392 0.3520 0.5658 0.054 Uiso 1 1 calc R U . . .
C17 C 0.2636(4) 0.3574(6) 0.6539(4) 0.056(2) Uani 1 1 d D . . . .
H17 H 0.2223 0.3491 0.6618 0.067 Uiso 1 1 calc R U . . .
C18 C 0.3118(4) 0.3666(6) 0.6980(4) 0.060(2) Uani 1 1 d D . . . .
H18 H 0.3040 0.3627 0.7365 0.071 Uiso 1 1 calc R U . . .
C19 C 0.3718(4) 0.3813(5) 0.6893(3) 0.0472(18) Uani 1 1 d . . . . .
H19 H 0.4052 0.3887 0.7210 0.057 Uiso 1 1 calc R U . . .
C20 C 0.3827(3) 0.3851(4) 0.6323(3) 0.0339(14) Uani 1 1 d . . . . .
C21 C 0.4459(3) 0.3933(4) 0.6130(3) 0.0316(13) Uani 1 1 d . . . . .
C22 C 0.4411(3) 0.4747(4) 0.5710(3) 0.0285(13) Uani 1 1 d . . . . .
C23 C 0.4812(3) 0.5488(4) 0.5741(3) 0.0358(15) Uani 1 1 d . . . . .
H23 H 0.5154 0.5542 0.6054 0.043 Uiso 1 1 calc R U . . .
C24 C 0.4714(3) 0.6144(5) 0.5318(3) 0.0444(18) Uani 1 1 d . . . . .
H24 H 0.4989 0.6654 0.5339 0.053 Uiso 1 1 calc R U . . .
C25 C 0.4231(4) 0.6075(5) 0.4871(3) 0.0440(17) Uani 1 1 d . . . . .
H25 H 0.4168 0.6539 0.4584 0.053 Uiso 1 1 calc R U . . .
C26 C 0.3817(3) 0.5318(4) 0.4823(3) 0.0364(15) Uani 1 1 d . . . . .
H26 H 0.3480 0.5266 0.4507 0.044 Uiso 1 1 calc R U . . .
C27 C 0.3915(3) 0.4669(4) 0.5242(3) 0.0295(13) Uani 1 1 d . . . . .
C28 C 0.5006(3) 0.3956(4) 0.6598(3) 0.0356(14) Uani 1 1 d . . . . .
H28 H 0.5020 0.4439 0.6871 0.043 Uiso 1 1 calc R U . . .
C29 C 0.5483(3) 0.3372(5) 0.6680(3) 0.0387(15) Uani 1 1 d . . . . .
H29 H 0.5491 0.2914 0.6394 0.046 Uiso 1 1 calc R U . . .
C30 C 0.6419(3) 0.3739(5) 0.8158(3) 0.0373(15) Uani 1 1 d . . . . .
H30 H 0.6366 0.4011 0.8514 0.045 Uiso 1 1 calc R U . . .
C31 C 0.5930(3) 0.3778(5) 0.7701(3) 0.0382(15) Uani 1 1 d . . . . .
H31 H 0.5550 0.4075 0.7744 0.046 Uiso 1 1 calc R U . . .
C32 C 0.5991(3) 0.3379(4) 0.7171(3) 0.0315(14) Uani 1 1 d . . . . .
C33 C 0.6573(3) 0.2981(5) 0.7146(3) 0.0397(16) Uani 1 1 d . . . . .
H33 H 0.6644 0.2706 0.6797 0.048 Uiso 1 1 calc R U . . .
C34 C 0.7043(3) 0.2985(5) 0.7625(3) 0.0385(16) Uani 1 1 d . . . . .
H34 H 0.7438 0.2726 0.7591 0.046 Uiso 1 1 calc R U . . .
C35 C 0.0309(3) 0.1264(4) 0.2627(3) 0.0391(16) Uani 1 1 d . . . . .
C36 C -0.0118(3) 0.2060(5) 0.2603(4) 0.053(2) Uani 1 1 d . . . . .
C37 C -0.0273(3) 0.2339(5) 0.2009(4) 0.053(2) Uani 1 1 d . . . . .
C38 C 0.0041(4) 0.1763(4) 0.1672(3) 0.0479(19) Uani 1 1 d . . . . .
C39 C 0.0404(4) 0.1126(4) 0.2043(3) 0.0436(17) Uani 1 1 d . . . . .
C40 C 0.0588(4) 0.0737(6) 0.3144(4) 0.060(2) Uani 1 1 d . . . . .
H40A H 0.0334 0.0191 0.3175 0.091 Uiso 1 1 calc R U . . .
H40B H 0.0599 0.1116 0.3490 0.091 Uiso 1 1 calc R U . . .
H40C H 0.1016 0.0555 0.3111 0.091 Uiso 1 1 calc R U . . .
C41 C -0.0344(5) 0.2462(6) 0.3107(5) 0.078(3) Uani 1 1 d . U . . .
H41A H -0.0467 0.3099 0.3023 0.117 Uiso 1 1 calc R U . . .
H41B H -0.0007 0.2440 0.3445 0.117 Uiso 1 1 calc R U . . .
H41C H -0.0706 0.2115 0.3187 0.117 Uiso 1 1 calc R U . . .
C42 C -0.0694(4) 0.3118(6) 0.1808(6) 0.095(4) Uani 1 1 d . U . . .
H42A H -0.0529 0.3451 0.1504 0.143 Uiso 1 1 calc R U . . .
H42B H -0.0714 0.3530 0.2133 0.143 Uiso 1 1 calc R U . . .
H42C H -0.1115 0.2889 0.1653 0.143 Uiso 1 1 calc R U . . .
C43 C 0.0070(6) 0.1838(7) 0.1026(4) 0.088(4) Uani 1 1 d . U . . .
H43A H -0.0225 0.2308 0.0849 0.131 Uiso 1 1 calc R U . . .
H43B H -0.0042 0.1249 0.0838 0.131 Uiso 1 1 calc R U . . .
H43C H 0.0497 0.2005 0.0979 0.131 Uiso 1 1 calc R U . . .
C44 C 0.0828(4) 0.0388(5) 0.1857(4) 0.060(2) Uani 1 1 d . . . . .
H44A H 0.1102 0.0141 0.2199 0.090 Uiso 1 1 calc R U . . .
H44B H 0.1085 0.0655 0.1594 0.090 Uiso 1 1 calc R U . . .
H44C H 0.0569 -0.0104 0.1657 0.090 Uiso 1 1 calc R U . . .
C45 C 0.2729(3) 0.7996(5) 0.0813(3) 0.0362(15) Uani 1 1 d . . . . .
C46 C 0.2746(3) 0.7254(5) 0.0417(3) 0.0419(16) Uani 1 1 d . . . . .
C47 C 0.2084(3) 0.7014(5) 0.0207(3) 0.0415(16) Uani 1 1 d . . . . .
C48 C 0.1708(3) 0.7542(5) 0.0492(3) 0.0398(16) Uani 1 1 d . . . . .
C49 C 0.2103(4) 0.8151(5) 0.0883(3) 0.0458(18) Uani 1 1 d . . . . .
C50 C 0.3289(4) 0.8506(5) 0.1112(3) 0.0514(19) Uani 1 1 d . . . . .
H50A H 0.3373 0.9024 0.0872 0.077 Uiso 1 1 calc R U . . .
H50B H 0.3654 0.8099 0.1175 0.077 Uiso 1 1 calc R U . . .
H50C H 0.3209 0.8732 0.1486 0.077 Uiso 1 1 calc R U . . .
C51 C 0.3297(4) 0.6891(6) 0.0208(4) 0.053(2) Uani 1 1 d . . . . .
H51A H 0.3327 0.7172 -0.0166 0.079 Uiso 1 1 calc R U . . .
H51B H 0.3256 0.6228 0.0161 0.079 Uiso 1 1 calc R U . . .
H51C H 0.3676 0.7033 0.0488 0.079 Uiso 1 1 calc R U . . .
C52 C 0.1900(4) 0.6249(6) -0.0212(4) 0.063(2) Uani 1 1 d . . . . .
H52A H 0.1487 0.6015 -0.0167 0.094 Uiso 1 1 calc R U . . .
H52B H 0.2211 0.5757 -0.0136 0.094 Uiso 1 1 calc R U . . .
H52C H 0.1881 0.6475 -0.0608 0.094 Uiso 1 1 calc R U . . .
C53 C 0.1005(4) 0.7514(6) 0.0414(4) 0.061(2) Uani 1 1 d . . . . .
H53A H 0.0830 0.8064 0.0208 0.091 Uiso 1 1 calc R U . . .
H53B H 0.0876 0.7488 0.0793 0.091 Uiso 1 1 calc R U . . .
H53C H 0.0849 0.6972 0.0189 0.091 Uiso 1 1 calc R U . . .
C54 C 0.1876(5) 0.8874(6) 0.1250(4) 0.063(2) Uani 1 1 d . . . . .
H54A H 0.2234 0.9129 0.1516 0.094 Uiso 1 1 calc R U . . .
H54B H 0.1579 0.8605 0.1473 0.094 Uiso 1 1 calc R U . . .
H54C H 0.1668 0.9361 0.1001 0.094 Uiso 1 1 calc R U . . .
C55 C 0.1876(6) 0.5944(8) 0.3448(6) 0.101(4) Uani 1 1 d D . . . .
S2 S 0.0151(2) 0.4982(4) 0.03910(17) 0.0899(16) Uani 0.5 1 d D . P . .
O10 O 0.0763(3) 0.5127(5) 0.0495(3) 0.100(2) Uani 0.5 1 d . U P . .
O11 O -0.0125(6) 0.5798(9) 0.0591(5) 0.180(5) Uani 0.5 1 d D U P . .
O12 O -0.0042(5) 0.4276(7) 0.0618(3) 0.144(4) Uani 0.5 1 d . U P . .
C56 C 0.0151(2) 0.4982(4) 0.03910(17) 0.0899(16) Uani 0.5 1 d . . P . .
F4 F 0.0763(3) 0.5127(5) 0.0495(3) 0.100(2) Uani 0.5 1 d . . P . .
F5 F -0.0125(6) 0.5798(9) 0.0591(5) 0.180(5) Uani 0.5 1 d . . P . .
F6 F -0.0042(5) 0.4276(7) 0.0618(3) 0.144(4) Uani 0.5 1 d . . P . .
C57 C 0.3268(7) 0.9678(10) 0.3637(7) 0.063(5) Uani 0.5 1 d D . P . .
F7 F 0.3514(9) 1.0448(11) 0.3384(8) 0.165(8) Uani 0.5 1 d D . P A .
F8 F 0.3096(16) 0.993(2) 0.4124(12) 0.280(15) Uiso 0.5 1 d D . P A .
F9 F 0.3675(9) 0.9001(11) 0.3754(9) 0.162(7) Uani 0.5 1 d D . P A .
S3 S 0.2433(10) 0.9379(13) 0.3248(8) 0.091(5) Uani 0.238(10) 1 d D U P A 1
O13 O 0.2232(12) 0.9801(18) 0.2718(9) 0.077(8) Uani 0.238(10) 1 d D U P A 1
O14 O 0.236(2) 0.8414(14) 0.3249(15) 0.102(11) Uani 0.238(10) 1 d D U P A 1
O15 O 0.2202(14) 0.982(2) 0.3716(11) 0.133(15) Uani 0.238(10) 1 d D U P A 1
S3' S 0.2580(7) 0.9287(12) 0.3127(8) 0.095(5) Uani 0.262(10) 1 d D U P A 2
O13' O 0.2130(9) 0.9951(13) 0.3082(11) 0.059(6) Uani 0.262(10) 1 d D U P A 2
O14' O 0.243(2) 0.8507(19) 0.3443(15) 0.097(10) Uani 0.262(10) 1 d D U P A 2
O15' O 0.2828(12) 0.9132(15) 0.2624(9) 0.089(9) Uani 0.262(10) 1 d D U P A 2
C63 C 0.0941(7) 0.4705(11) 0.4972(6) 0.126(5) Uani 1 1 d D . . . .
H63A H 0.1044 0.4191 0.5239 0.189 Uiso 1 1 calc R U . . .
H63B H 0.0753 0.5198 0.5166 0.189 Uiso 1 1 calc R U . . .
H63C H 0.1324 0.4928 0.4849 0.189 Uiso 1 1 calc R U . . .
C58 C 0.3351(6) 0.4206(8) 0.2985(6) 0.110(5) Uani 1 1 d D . . . .
H58A H 0.3572 0.4772 0.3121 0.165 Uiso 1 1 calc R U . . .
H58B H 0.3182 0.3923 0.3303 0.165 Uiso 1 1 calc R U . . .
H58C H 0.3007 0.4347 0.2667 0.165 Uiso 1 1 calc R U . . .
C61 C 0.5367(6) 0.3963(10) 0.2500(7) 0.128(5) Uani 1 1 d D U . . .
H61A H 0.5228 0.4562 0.2341 0.192 Uiso 1 1 calc R U . . .
H61B H 0.5612 0.3659 0.2241 0.192 Uiso 1 1 calc R U . . .
H61C H 0.5629 0.4042 0.2882 0.192 Uiso 1 1 calc R U . . .
C62 C 0.0541(8) 0.4433(10) 0.4516(8) 0.120(5) Uani 1 1 d D U . . .
C60 C 0.4839(9) 0.3423(13) 0.2553(10) 0.183(8) Uani 1 1 d D U . . .
H60A H 0.4966 0.2918 0.2829 0.220 Uiso 1 1 calc R U . . .
H60B H 0.4661 0.3153 0.2173 0.220 Uiso 1 1 calc R U . . .
C59 C 0.3791(9) 0.3573(13) 0.2780(9) 0.168(7) Uani 1 1 d D U . . .
H59A H 0.3859 0.3039 0.3043 0.201 Uiso 1 1 calc R U . . .
H59B H 0.3604 0.3349 0.2390 0.201 Uiso 1 1 calc R U . . .
N3 N 0.0162(7) 0.4177(9) 0.4118(6) 0.141(5) Uani 1 1 d . . . . .
O16 O 0.4373(4) 0.3985(5) 0.2755(4) 0.094(2) Uani 1 1 d . . . . .


_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 O1 2.104(4) . ?
Rh1 C36 2.107(7) . ?
Rh1 N1 2.113(5) . ?
Rh1 C37 2.119(7) . ?
Rh1 O2 2.125(4) . ?
Rh1 C39 2.127(6) . ?
Rh1 C38 2.146(7) . ?
Rh1 C35 2.150(6) . ?
Rh2 C49 2.103(7) . ?
Rh2 O4 2.105(4) . ?
Rh2 N2 2.107(5) 3_666 ?
Rh2 C46 2.125(7) . ?
Rh2 O3 2.133(4) . ?
Rh2 C48 2.133(7) . ?
Rh2 C45 2.137(6) . ?
Rh2 C47 2.154(7) . ?
N1 C11 1.339(8) . ?
N1 C7 1.356(8) . ?
N2 C34 1.317(8) . ?
N2 C30 1.348(8) . ?
N2 Rh2 2.107(5) 3_666 ?
O1 C1 1.259(7) . ?
O2 C2 1.275(7) . ?
O3 C4 1.251(7) . ?
O4 C5 1.279(7) . ?
O5 C14 1.462(7) . ?
O5 O6 1.497(6) . ?
O6 C21 1.480(7) . ?
O7 S1 1.493(7) . ?
O8 S1 1.499(9) . ?
O9 S1 1.414(8) . ?
S1 C55 1.711(14) . ?
F1 C55 1.442(12) . ?
F2 C55 1.278(13) . ?
F3 C55 1.349(12) . ?
C1 C6 1.385(8) . ?
C1 C2 1.526(8) . ?
C2 C3 1.383(8) . ?
C3 C4 1.403(8) . ?
C4 C5 1.525(8) . ?
C5 C6 1.359(8) . ?
C7 C8 1.339(9) . ?
C8 C9 1.396(9) . ?
C9 C10 1.392(9) . ?
C9 C12 1.448(9) . ?
C10 C11 1.336(10) . ?
C12 C13 1.338(9) . ?
C13 C14 1.482(9) . ?
C14 C27 1.507(8) . ?
C14 C15 1.532(9) . ?
C15 C20 1.381(9) . ?
C15 C16 1.395(9) . ?
C16 C17 1.391(11) . ?
C17 C18 1.341(10) . ?
C18 C19 1.365(11) . ?
C19 C20 1.400(10) . ?
C20 C21 1.518(9) . ?
C21 C28 1.468(9) . ?
C21 C22 1.538(9) . ?
C22 C23 1.383(8) . ?
C22 C27 1.398(8) . ?
C23 C24 1.372(10) . ?
C24 C25 1.348(10) . ?
C25 C26 1.416(9) . ?
C26 C27 1.356(9) . ?
C28 C29 1.328(9) . ?
C29 C32 1.448(9) . ?
C30 C31 1.369(9) . ?
C31 C32 1.403(9) . ?
C32 C33 1.396(9) . ?
C33 C34 1.378(9) . ?
C35 C39 1.435(10) . ?
C35 C40 1.475(10) . ?
C35 C36 1.482(10) . ?
C36 C37 1.434(12) . ?
C36 C41 1.478(11) . ?
C37 C38 1.409(12) . ?
C37 C42 1.484(11) . ?
C38 C39 1.416(10) . ?
C38 C43 1.532(13) . ?
C39 C44 1.530(10) . ?
C45 C49 1.411(10) . ?
C45 C46 1.434(10) . ?
C45 C50 1.492(9) . ?
C46 C51 1.465(10) . ?
C46 C47 1.474(10) . ?
C47 C48 1.376(10) . ?
C47 C52 1.498(11) . ?
C48 C49 1.447(10) . ?
C48 C53 1.502(10) . ?
C49 C54 1.499(10) . ?
S2 O12 1.264(8) . ?
S2 O10 1.322(7) . ?
S2 O11 1.449(11) . ?
S2 C56 1.838(8) 3_565 ?
S2 S2 1.838(8) 3_565 ?
C57 F8 1.314(18) . ?
C57 F9 1.323(15) . ?
C57 F7 1.419(16) . ?
C57 S3' 1.831(17) . ?
C57 S3 1.93(3) . ?
S3 O13 1.389(16) . ?
S3 O14 1.421(17) . ?
S3 O15 1.437(17) . ?
S3' O13' 1.365(15) . ?
S3' O15' 1.398(17) . ?
S3' O14' 1.426(17) . ?
C63 C62 1.314(18) . ?
C58 C59 1.468(17) . ?
C61 C60 1.412(18) . ?
C62 N3 1.191(19) . ?
C60 O16 1.444(17) . ?
C59 O16 1.406(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
O1 Rh1 C36 105.9(2) . . ?
O1 Rh1 N1 85.47(17) . . ?
C36 Rh1 N1 110.8(3) . . ?
O1 Rh1 C37 94.4(2) . . ?
C36 Rh1 C37 39.7(3) . . ?
N1 Rh1 C37 149.1(3) . . ?
O1 Rh1 O2 77.27(15) . . ?
C36 Rh1 O2 163.6(3) . . ?
N1 Rh1 O2 85.42(18) . . ?
C37 Rh1 O2 124.8(3) . . ?
O1 Rh1 C39 156.7(2) . . ?
C36 Rh1 C39 66.5(3) . . ?
N1 Rh1 C39 117.8(2) . . ?
C37 Rh1 C39 65.4(3) . . ?
O2 Rh1 C39 104.1(2) . . ?
O1 Rh1 C38 118.1(2) . . ?
C36 Rh1 C38 65.8(3) . . ?
N1 Rh1 C38 156.4(2) . . ?
C37 Rh1 C38 38.6(3) . . ?
O2 Rh1 C38 98.3(3) . . ?
C39 Rh1 C38 38.7(3) . . ?
O1 Rh1 C35 144.6(2) . . ?
C36 Rh1 C35 40.7(3) . . ?
N1 Rh1 C35 96.0(2) . . ?
C37 Rh1 C35 66.8(3) . . ?
O2 Rh1 C35 138.1(2) . . ?
C39 Rh1 C35 39.2(3) . . ?
C38 Rh1 C35 65.7(3) . . ?
C49 Rh2 O4 104.1(2) . . ?
C49 Rh2 N2 114.2(3) . 3_666 ?
O4 Rh2 N2 86.57(18) . 3_666 ?
C49 Rh2 C46 66.6(3) . . ?
O4 Rh2 C46 162.9(2) . . ?
N2 Rh2 C46 110.2(2) 3_666 . ?
C49 Rh2 O3 160.2(3) . . ?
O4 Rh2 O3 76.69(15) . . ?
N2 Rh2 O3 85.54(19) 3_666 . ?
C46 Rh2 O3 107.0(2) . . ?
C49 Rh2 C48 39.9(3) . . ?
O4 Rh2 C48 97.4(2) . . ?
N2 Rh2 C48 154.1(2) 3_666 . ?
C46 Rh2 C48 66.1(3) . . ?
O3 Rh2 C48 120.4(2) . . ?
C49 Rh2 C45 38.9(3) . . ?
O4 Rh2 C45 139.3(2) . . ?
N2 Rh2 C45 95.2(2) 3_666 . ?
C46 Rh2 C45 39.3(3) . . ?
O3 Rh2 C45 144.0(2) . . ?
C48 Rh2 C45 65.3(3) . . ?
C49 Rh2 C47 65.3(3) . . ?
O4 Rh2 C47 123.2(2) . . ?
N2 Rh2 C47 150.0(2) 3_666 . ?
C46 Rh2 C47 40.3(3) . . ?
O3 Rh2 C47 97.4(2) . . ?
C48 Rh2 C47 37.4(3) . . ?
C45 Rh2 C47 65.2(3) . . ?
C11 N1 C7 117.0(6) . . ?
C11 N1 Rh1 123.1(4) . . ?
C7 N1 Rh1 119.9(4) . . ?
C34 N2 C30 117.6(6) . . ?
C34 N2 Rh2 122.2(4) . 3_666 ?
C30 N2 Rh2 120.1(4) . 3_666 ?
C1 O1 Rh1 115.5(3) . . ?
C2 O2 Rh1 114.8(4) . . ?
C4 O3 Rh2 115.0(4) . . ?
C5 O4 Rh2 116.5(4) . . ?
C14 O5 O6 110.9(4) . . ?
C21 O6 O5 111.3(4) . . ?
O9 S1 O7 121.8(5) . . ?
O9 S1 O8 118.4(6) . . ?
O7 S1 O8 107.0(5) . . ?
O9 S1 C55 96.8(6) . . ?
O7 S1 C55 103.1(5) . . ?
O8 S1 C55 106.8(5) . . ?
O1 C1 C6 123.8(5) . . ?
O1 C1 C2 116.6(5) . . ?
C6 C1 C2 119.6(5) . . ?
O2 C2 C3 123.8(5) . . ?
O2 C2 C1 115.6(5) . . ?
C3 C2 C1 120.6(5) . . ?
C2 C3 C4 119.3(5) . . ?
O3 C4 C3 123.7(5) . . ?
O3 C4 C5 117.3(5) . . ?
C3 C4 C5 119.0(5) . . ?
O4 C5 C6 124.2(5) . . ?
O4 C5 C4 114.5(5) . . ?
C6 C5 C4 121.3(5) . . ?
C5 C6 C1 120.0(5) . . ?
C8 C7 N1 122.2(6) . . ?
C7 C8 C9 121.6(6) . . ?
C10 C9 C8 114.7(6) . . ?
C10 C9 C12 122.2(6) . . ?
C8 C9 C12 123.0(6) . . ?
C11 C10 C9 121.5(7) . . ?
C10 C11 N1 122.9(6) . . ?
C13 C12 C9 124.9(6) . . ?
C12 C13 C14 127.5(6) . . ?
O5 C14 C13 106.8(5) . . ?
O5 C14 C27 107.0(4) . . ?
C13 C14 C27 115.2(5) . . ?
O5 C14 C15 105.5(5) . . ?
C13 C14 C15 112.7(5) . . ?
C27 C14 C15 109.0(5) . . ?
C20 C15 C16 119.4(6) . . ?
C20 C15 C14 112.9(5) . . ?
C16 C15 C14 127.7(6) . . ?
C17 C16 C15 118.9(7) . . ?
C18 C17 C16 120.7(7) . . ?
C17 C18 C19 122.2(7) . . ?
C18 C19 C20 118.2(7) . . ?
C15 C20 C19 120.6(6) . . ?
C15 C20 C21 112.4(6) . . ?
C19 C20 C21 126.9(6) . . ?
C28 C21 O6 107.1(5) . . ?
C28 C21 C20 115.3(6) . . ?
O6 C21 C20 106.3(5) . . ?
C28 C21 C22 114.7(5) . . ?
O6 C21 C22 105.9(5) . . ?
C20 C21 C22 106.8(5) . . ?
C23 C22 C27 119.7(6) . . ?
C23 C22 C21 126.9(6) . . ?
C27 C22 C21 113.3(5) . . ?
C24 C23 C22 119.5(6) . . ?
C25 C24 C23 120.8(7) . . ?
C24 C25 C26 120.9(7) . . ?
C27 C26 C25 118.3(6) . . ?
C26 C27 C22 120.9(6) . . ?
C26 C27 C14 127.7(6) . . ?
C22 C27 C14 111.4(5) . . ?
C29 C28 C21 126.7(6) . . ?
C28 C29 C32 125.0(6) . . ?
N2 C30 C31 123.2(6) . . ?
C30 C31 C32 119.8(6) . . ?
C33 C32 C31 115.9(6) . . ?
C33 C32 C29 121.9(6) . . ?
C31 C32 C29 122.2(6) . . ?
C34 C33 C32 120.5(6) . . ?
N2 C34 C33 123.0(6) . . ?
C39 C35 C40 127.3(7) . . ?
C39 C35 C36 105.4(6) . . ?
C40 C35 C36 127.2(7) . . ?
C39 C35 Rh1 69.5(4) . . ?
C40 C35 Rh1 125.8(5) . . ?
C36 C35 Rh1 68.1(3) . . ?
C37 C36 C41 127.6(8) . . ?
C37 C36 C35 107.4(6) . . ?
C41 C36 C35 125.0(9) . . ?
C37 C36 Rh1 70.6(4) . . ?
C41 C36 Rh1 124.5(5) . . ?
C35 C36 Rh1 71.2(3) . . ?
C38 C37 C36 108.8(6) . . ?
C38 C37 C42 127.5(9) . . ?
C36 C37 C42 123.7(9) . . ?
C38 C37 Rh1 71.8(4) . . ?
C36 C37 Rh1 69.7(4) . . ?
C42 C37 Rh1 123.9(5) . . ?
C37 C38 C39 108.6(7) . . ?
C37 C38 C43 128.4(7) . . ?
C39 C38 C43 122.7(8) . . ?
C37 C38 Rh1 69.7(4) . . ?
C39 C38 Rh1 69.9(4) . . ?
C43 C38 Rh1 121.0(6) . . ?
C38 C39 C35 109.7(6) . . ?
C38 C39 C44 125.8(7) . . ?
C35 C39 C44 124.4(7) . . ?
C38 C39 Rh1 71.4(4) . . ?
C35 C39 Rh1 71.3(3) . . ?
C44 C39 Rh1 124.6(5) . . ?
C49 C45 C46 109.4(6) . . ?
C49 C45 C50 125.6(7) . . ?
C46 C45 C50 125.0(7) . . ?
C49 C45 Rh2 69.3(4) . . ?
C46 C45 Rh2 69.9(4) . . ?
C50 C45 Rh2 126.1(5) . . ?
C45 C46 C51 127.3(7) . . ?
C45 C46 C47 105.2(6) . . ?
C51 C46 C47 127.0(7) . . ?
C45 C46 Rh2 70.8(4) . . ?
C51 C46 Rh2 128.5(5) . . ?
C47 C46 Rh2 70.9(4) . . ?
C48 C47 C46 109.0(6) . . ?
C48 C47 C52 128.8(7) . . ?
C46 C47 C52 121.9(7) . . ?
C48 C47 Rh2 70.5(4) . . ?
C46 C47 Rh2 68.8(4) . . ?
C52 C47 Rh2 122.5(5) . . ?
C47 C48 C49 108.8(6) . . ?
C47 C48 C53 126.7(7) . . ?
C49 C48 C53 124.6(7) . . ?
C47 C48 Rh2 72.1(4) . . ?
C49 C48 Rh2 68.9(4) . . ?
C53 C48 Rh2 125.5(5) . . ?
C45 C49 C48 107.3(6) . . ?
C45 C49 C54 126.7(8) . . ?
C48 C49 C54 125.7(7) . . ?
C45 C49 Rh2 71.9(4) . . ?
C48 C49 Rh2 71.2(4) . . ?
C54 C49 Rh2 126.8(5) . . ?
F2 C55 F3 112.5(10) . . ?
F2 C55 F1 103.7(11) . . ?
F3 C55 F1 104.0(9) . . ?
F2 C55 S1 115.2(8) . . ?
F3 C55 S1 111.1(10) . . ?
F1 C55 S1 109.5(8) . . ?
O12 S2 O10 116.5(7) . . ?
O12 S2 O11 110.6(8) . . ?
O10 S2 O11 105.3(7) . . ?
O12 S2 C56 111.0(6) . 3_565 ?
O10 S2 C56 110.4(5) . 3_565 ?
O11 S2 C56 101.8(7) . 3_565 ?
O12 S2 S2 111.0(6) . 3_565 ?
O10 S2 S2 110.4(5) . 3_565 ?
O11 S2 S2 101.8(7) . 3_565 ?
C56 S2 S2 0.0 3_565 3_565 ?
F8 C57 F9 108(2) . . ?
F8 C57 F7 109(2) . . ?
F9 C57 F7 113.4(16) . . ?
F8 C57 S3' 110(2) . . ?
F9 C57 S3' 109.7(14) . . ?
F7 C57 S3' 107.3(14) . . ?
F8 C57 S3 95.3(19) . . ?
F9 C57 S3 117.6(15) . . ?
F7 C57 S3 111.8(13) . . ?
O13 S3 O14 115.2(17) . . ?
O13 S3 O15 112.7(16) . . ?
O14 S3 O15 113.4(17) . . ?
O13 S3 C57 116.4(16) . . ?
O14 S3 C57 108(2) . . ?
O15 S3 C57 87.6(15) . . ?
O13' S3' O15' 115.0(17) . . ?
O13' S3' O14' 112.9(18) . . ?
O15' S3' O14' 117.5(17) . . ?
O13' S3' C57 108.4(16) . . ?
O15' S3' C57 102.4(15) . . ?
O14' S3' C57 98(2) . . ?
N3 C62 C63 177.3(19) . . ?
C61 C60 O16 109.4(13) . . ?
O16 C59 C58 112.3(14) . . ?
C59 O16 C60 116.9(12) . . ?

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
C14 O5 O6 C21 -1.2(6) . . . . ?
Rh1 O1 C1 C6 -176.0(5) . . . . ?
Rh1 O1 C1 C2 3.6(6) . . . . ?
Rh1 O2 C2 C3 176.6(5) . . . . ?
Rh1 O2 C2 C1 -2.8(6) . . . . ?
O1 C1 C2 O2 -0.5(7) . . . . ?
C6 C1 C2 O2 179.1(5) . . . . ?
O1 C1 C2 C3 -179.9(5) . . . . ?
C6 C1 C2 C3 -0.3(8) . . . . ?
O2 C2 C3 C4 177.6(6) . . . . ?
C1 C2 C3 C4 -3.0(9) . . . . ?
Rh2 O3 C4 C3 -179.8(5) . . . . ?
Rh2 O3 C4 C5 -0.5(6) . . . . ?
C2 C3 C4 O3 -177.1(6) . . . . ?
C2 C3 C4 C5 3.7(9) . . . . ?
Rh2 O4 C5 C6 -178.5(5) . . . . ?
Rh2 O4 C5 C4 2.1(6) . . . . ?
O3 C4 C5 O4 -1.1(8) . . . . ?
C3 C4 C5 O4 178.3(5) . . . . ?
O3 C4 C5 C6 179.5(6) . . . . ?
C3 C4 C5 C6 -1.2(9) . . . . ?
O4 C5 C6 C1 178.5(6) . . . . ?
C4 C5 C6 C1 -2.2(9) . . . . ?
O1 C1 C6 C5 -177.5(5) . . . . ?
C2 C1 C6 C5 2.9(9) . . . . ?
C11 N1 C7 C8 0.2(9) . . . . ?
Rh1 N1 C7 C8 -179.2(5) . . . . ?
N1 C7 C8 C9 -0.1(11) . . . . ?
C7 C8 C9 C10 0.9(10) . . . . ?
C7 C8 C9 C12 178.7(7) . . . . ?
C8 C9 C10 C11 -2.0(10) . . . . ?
C12 C9 C10 C11 -179.8(7) . . . . ?
C9 C10 C11 N1 2.3(11) . . . . ?
C7 N1 C11 C10 -1.3(10) . . . . ?
Rh1 N1 C11 C10 178.1(5) . . . . ?
C10 C9 C12 C13 169.5(7) . . . . ?
C8 C9 C12 C13 -8.1(11) . . . . ?
C9 C12 C13 C14 179.8(6) . . . . ?
O6 O5 C14 C13 -176.7(5) . . . . ?
O6 O5 C14 C27 59.4(6) . . . . ?
O6 O5 C14 C15 -56.6(5) . . . . ?
C12 C13 C14 O5 -0.1(9) . . . . ?
C12 C13 C14 C27 118.6(7) . . . . ?
C12 C13 C14 C15 -115.4(8) . . . . ?
O5 C14 C15 C20 60.9(6) . . . . ?
C13 C14 C15 C20 177.1(5) . . . . ?
C27 C14 C15 C20 -53.8(6) . . . . ?
O5 C14 C15 C16 -118.1(7) . . . . ?
C13 C14 C15 C16 -1.9(9) . . . . ?
C27 C14 C15 C16 127.3(7) . . . . ?
C20 C15 C16 C17 0.7(10) . . . . ?
C14 C15 C16 C17 179.6(7) . . . . ?
C15 C16 C17 C18 -1.6(12) . . . . ?
C16 C17 C18 C19 1.8(14) . . . . ?
C17 C18 C19 C20 -1.2(13) . . . . ?
C16 C15 C20 C19 -0.1(9) . . . . ?
C14 C15 C20 C19 -179.2(6) . . . . ?
C16 C15 C20 C21 175.7(6) . . . . ?
C14 C15 C20 C21 -3.4(7) . . . . ?
C18 C19 C20 C15 0.3(10) . . . . ?
C18 C19 C20 C21 -174.9(7) . . . . ?
O5 O6 C21 C28 -178.1(5) . . . . ?
O5 O6 C21 C20 58.0(6) . . . . ?
O5 O6 C21 C22 -55.3(5) . . . . ?
C15 C20 C21 C28 -174.3(5) . . . . ?
C19 C20 C21 C28 1.2(9) . . . . ?
C15 C20 C21 O6 -55.7(6) . . . . ?
C19 C20 C21 O6 119.8(7) . . . . ?
C15 C20 C21 C22 57.0(7) . . . . ?
C19 C20 C21 C22 -127.5(7) . . . . ?
C28 C21 C22 C23 -2.0(9) . . . . ?
O6 C21 C22 C23 -119.9(6) . . . . ?
C20 C21 C22 C23 127.1(6) . . . . ?
C28 C21 C22 C27 175.1(5) . . . . ?
O6 C21 C22 C27 57.2(6) . . . . ?
C20 C21 C22 C27 -55.8(6) . . . . ?
C27 C22 C23 C24 0.9(9) . . . . ?
C21 C22 C23 C24 177.8(6) . . . . ?
C22 C23 C24 C25 -0.1(9) . . . . ?
C23 C24 C25 C26 -0.7(10) . . . . ?
C24 C25 C26 C27 0.6(9) . . . . ?
C25 C26 C27 C22 0.2(9) . . . . ?
C25 C26 C27 C14 -177.8(6) . . . . ?
C23 C22 C27 C26 -0.9(9) . . . . ?
C21 C22 C27 C26 -178.2(5) . . . . ?
C23 C22 C27 C14 177.3(5) . . . . ?
C21 C22 C27 C14 0.0(7) . . . . ?
O5 C14 C27 C26 119.1(6) . . . . ?
C13 C14 C27 C26 0.5(9) . . . . ?
C15 C14 C27 C26 -127.3(6) . . . . ?
O5 C14 C27 C22 -59.1(6) . . . . ?
C13 C14 C27 C22 -177.6(5) . . . . ?
C15 C14 C27 C22 54.6(6) . . . . ?
O6 C21 C28 C29 2.4(9) . . . . ?
C20 C21 C28 C29 120.5(7) . . . . ?
C22 C21 C28 C29 -114.8(7) . . . . ?
C21 C28 C29 C32 -175.3(6) . . . . ?
C34 N2 C30 C31 2.3(10) . . . . ?
Rh2 N2 C30 C31 -174.5(5) 3_666 . . . ?
N2 C30 C31 C32 0.2(10) . . . . ?
C30 C31 C32 C33 -1.7(9) . . . . ?
C30 C31 C32 C29 177.8(6) . . . . ?
C28 C29 C32 C33 -157.4(7) . . . . ?
C28 C29 C32 C31 23.1(10) . . . . ?
C31 C32 C33 C34 0.7(10) . . . . ?
C29 C32 C33 C34 -178.8(6) . . . . ?
C30 N2 C34 C33 -3.4(10) . . . . ?
Rh2 N2 C34 C33 173.4(5) 3_666 . . . ?
C32 C33 C34 N2 1.9(11) . . . . ?
C39 C35 C36 C37 1.9(7) . . . . ?
C40 C35 C36 C37 -179.3(6) . . . . ?
Rh1 C35 C36 C37 61.7(5) . . . . ?
C39 C35 C36 C41 -179.3(7) . . . . ?
C40 C35 C36 C41 -0.4(11) . . . . ?
Rh1 C35 C36 C41 -119.5(7) . . . . ?
C39 C35 C36 Rh1 -59.8(4) . . . . ?
C40 C35 C36 Rh1 119.0(7) . . . . ?
C41 C36 C37 C38 -179.4(7) . . . . ?
C35 C36 C37 C38 -0.6(8) . . . . ?
Rh1 C36 C37 C38 61.5(5) . . . . ?
C41 C36 C37 C42 1.2(12) . . . . ?
C35 C36 C37 C42 -180.0(7) . . . . ?
Rh1 C36 C37 C42 -117.9(7) . . . . ?
C41 C36 C37 Rh1 119.1(7) . . . . ?
C35 C36 C37 Rh1 -62.1(4) . . . . ?
C36 C37 C38 C39 -0.9(8) . . . . ?
C42 C37 C38 C39 178.4(7) . . . . ?
Rh1 C37 C38 C39 59.3(5) . . . . ?
C36 C37 C38 C43 -174.2(8) . . . . ?
C42 C37 C38 C43 5.1(13) . . . . ?
Rh1 C37 C38 C43 -114.0(8) . . . . ?
C36 C37 C38 Rh1 -60.2(5) . . . . ?
C42 C37 C38 Rh1 119.2(8) . . . . ?
C37 C38 C39 C35 2.1(8) . . . . ?
C43 C38 C39 C35 175.9(7) . . . . ?
Rh1 C38 C39 C35 61.2(5) . . . . ?
C37 C38 C39 C44 -178.8(6) . . . . ?
C43 C38 C39 C44 -5.0(11) . . . . ?
Rh1 C38 C39 C44 -119.7(7) . . . . ?
C37 C38 C39 Rh1 -59.1(5) . . . . ?
C43 C38 C39 Rh1 114.7(7) . . . . ?
C40 C35 C39 C38 178.7(6) . . . . ?
C36 C35 C39 C38 -2.4(7) . . . . ?
Rh1 C35 C39 C38 -61.3(5) . . . . ?
C40 C35 C39 C44 -0.4(11) . . . . ?
C36 C35 C39 C44 178.5(6) . . . . ?
Rh1 C35 C39 C44 119.6(7) . . . . ?
C40 C35 C39 Rh1 -120.0(7) . . . . ?
C36 C35 C39 Rh1 58.9(4) . . . . ?
C49 C45 C46 C51 177.6(7) . . . . ?
C50 C45 C46 C51 -3.6(11) . . . . ?
Rh2 C45 C46 C51 -124.3(8) . . . . ?
C49 C45 C46 C47 4.9(7) . . . . ?
C50 C45 C46 C47 -176.3(6) . . . . ?
Rh2 C45 C46 C47 63.0(4) . . . . ?
C49 C45 C46 Rh2 -58.1(5) . . . . ?
C50 C45 C46 Rh2 120.7(7) . . . . ?
C45 C46 C47 C48 -3.8(7) . . . . ?
C51 C46 C47 C48 -176.5(7) . . . . ?
Rh2 C46 C47 C48 59.1(5) . . . . ?
C45 C46 C47 C52 -178.9(7) . . . . ?
C51 C46 C47 C52 8.4(11) . . . . ?
Rh2 C46 C47 C52 -116.0(7) . . . . ?
C45 C46 C47 Rh2 -62.9(4) . . . . ?
C51 C46 C47 Rh2 124.3(8) . . . . ?
C46 C47 C48 C49 1.3(8) . . . . ?
C52 C47 C48 C49 175.9(7) . . . . ?
Rh2 C47 C48 C49 59.4(5) . . . . ?
C46 C47 C48 C53 -179.4(7) . . . . ?
C52 C47 C48 C53 -4.8(12) . . . . ?
Rh2 C47 C48 C53 -121.3(7) . . . . ?
C46 C47 C48 Rh2 -58.1(5) . . . . ?
C52 C47 C48 Rh2 116.6(8) . . . . ?
C46 C45 C49 C48 -4.3(8) . . . . ?
C50 C45 C49 C48 177.0(6) . . . . ?
Rh2 C45 C49 C48 -62.7(4) . . . . ?
C46 C45 C49 C54 -178.7(7) . . . . ?
C50 C45 C49 C54 2.5(11) . . . . ?
Rh2 C45 C49 C54 122.8(8) . . . . ?
C46 C45 C49 Rh2 58.5(5) . . . . ?
C50 C45 C49 Rh2 -120.3(7) . . . . ?
C47 C48 C49 C45 1.8(8) . . . . ?
C53 C48 C49 C45 -177.5(6) . . . . ?
Rh2 C48 C49 C45 63.2(5) . . . . ?
C47 C48 C49 C54 176.4(7) . . . . ?
C53 C48 C49 C54 -2.9(11) . . . . ?
Rh2 C48 C49 C54 -122.3(7) . . . . ?
C47 C48 C49 Rh2 -61.4(5) . . . . ?
C53 C48 C49 Rh2 119.3(7) . . . . ?
O9 S1 C55 F2 -62.8(10) . . . . ?
O7 S1 C55 F2 62.1(10) . . . . ?
O8 S1 C55 F2 174.7(9) . . . . ?
O9 S1 C55 F3 66.5(9) . . . . ?
O7 S1 C55 F3 -168.5(8) . . . . ?
O8 S1 C55 F3 -55.9(10) . . . . ?
O9 S1 C55 F1 -179.2(8) . . . . ?
O7 S1 C55 F1 -54.2(9) . . . . ?
O8 S1 C55 F1 58.4(9) . . . . ?
F8 C57 S3' O13' 53(2) . . . . ?
F9 C57 S3' O13' 171.1(18) . . . . ?
F7 C57 S3' O13' -65.4(18) . . . . ?
F8 C57 S3' O15' 175(2) . . . . ?
F9 C57 S3' O15' -67.0(19) . . . . ?
F7 C57 S3' O15' 56.5(16) . . . . ?
F8 C57 S3' O14' -65(2) . . . . ?
F9 C57 S3' O14' 54(2) . . . . ?
F7 C57 S3' O14' 177.1(17) . . . . ?
C58 C59 O16 C60 -179.3(16) . . . . ?
C61 C60 O16 C59 174.2(17) . . . . ?

_refine_diff_density_max         4.207
_refine_diff_density_min         -1.687
_refine_diff_density_rms         0.162

####################################################################### 
# 
# 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_5-O2
_database_code_depnum_ccdc_archive 'CCDC 1575531'
_audit_update_record             
;
2017-09-20 deposited with the CCDC.
2018-01-24 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            'C138 H152 F12 N12 O24 Rh4 S4'
_chemical_formula_weight         3130.59

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh 0.0927 3.6045 '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                   42.7915(8)
_cell_length_b                   13.9984(3)
_cell_length_c                   24.5974(4)
_cell_angle_alpha                90
_cell_angle_beta                 99.1800(9)
_cell_angle_gamma                90
_cell_volume                     14545.4(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9926
_cell_measurement_theta_min      3.33
_cell_measurement_theta_max      72.42

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.430
_exptl_crystal_F_000             6432
_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    4.866
_shelx_estimated_absorpt_T_min   0.376
_shelx_estimated_absorpt_T_max   0.475
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.577
_exptl_absorpt_correction_T_max  0.754
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\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            43998
_diffrn_reflns_av_unetI/netI     0.0657
_diffrn_reflns_av_R_equivalents  0.0694
_diffrn_reflns_limit_h_min       -52
_diffrn_reflns_limit_h_max       49
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         2.092
_diffrn_reflns_theta_max         72.546
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             14227
_reflns_number_gt                9645
_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 was disordered and it 
 was divided into two parts (60:40). 18 ISOR instructions 
 were used to restrain disordered Cp* fragments so that there 
 were 108 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)+(0.1339P)²+0.4670P] 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         14227
_refine_ls_number_parameters     798
_refine_ls_number_restraints     108
_refine_ls_R_factor_all          0.1000
_refine_ls_R_factor_gt           0.0711
_refine_ls_wR_factor_ref         0.2203
_refine_ls_wR_factor_gt          0.1999
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_restrained_S_all      1.061
_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 0.262 0.105 0.148 4450 1277 ' '
2 0.431 0.000 0.041 7 0 ' '
3 0.431 0.000 0.541 7 0 ' '
4 0.569 0.000 0.459 7 0 ' '
5 0.569 0.000 0.959 7 0 ' '
6 0.069 0.500 0.459 7 0 ' '
7 0.069 0.499 0.959 7 0 ' '
8 0.931 0.500 0.041 7 0 ' '
9 0.931 0.499 0.541 7 0 ' '
_platon_squeeze_void_probe_radius 1.20
_platon_squeeze_details          
; 
 In asymmetric unit of this data, there were disordered 
 anion and solvents (one triflate anion, one methanol and 
 one diethyl ether 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 0.12990(2) 0.81189(4) 0.21170(2) 0.05836(18) Uani 1 1 d . . . . .
Rh2 Rh 0.05735(2) 0.83798(3) 0.38125(2) 0.04494(14) Uani 1 1 d . . . . .
N1 N 0.09146(10) 0.8963(4) 0.23413(19) 0.0477(11) Uani 1 1 d . . . . .
N2 N 0.11990(11) 0.7310(4) 0.28221(19) 0.0472(11) Uani 1 1 d . . . . .
N3 N 0.09070(11) 0.7445(3) 0.35157(19) 0.0448(10) Uani 1 1 d . . . . .
N4 N 0.06064(10) 0.9058(4) 0.30066(19) 0.0453(11) Uani 1 1 d . . . . .
N5 N 0.16091(11) 0.8938(5) 0.2715(2) 0.0574(14) Uani 1 1 d . . . . .
N6 N 0.40459(10) 1.5695(4) 0.5890(2) 0.0489(11) Uani 1 1 d . . . . .
O1 O 0.27249(12) 1.1758(4) 0.4258(2) 0.0763(15) Uani 1 1 d . . . . .
O2 O 0.29582(13) 1.2447(4) 0.4541(3) 0.0867(18) Uani 1 1 d . . . . .
O3 O 0.0248(2) 0.1788(5) 0.4788(5) 0.133(3) Uani 1 1 d . . . . .
O4 O 0.06904(14) 0.2823(6) 0.4814(4) 0.116(2) Uani 1 1 d . . . . .
O5 O 0.01800(19) 0.3463(6) 0.4974(3) 0.120(3) Uani 1 1 d . . . . .
S1 S 0.03554(5) 0.27356(17) 0.47308(10) 0.0796(6) Uani 1 1 d . . . . .
F1 F 0.0387(3) 0.2365(7) 0.3707(4) 0.172(4) Uani 1 1 d . . . . .
F2 F -0.0064(3) 0.2788(9) 0.3863(5) 0.227(6) Uani 1 1 d . . . . .
F3 F 0.0319(3) 0.3832(7) 0.3890(4) 0.191(4) Uani 1 1 d . . . . .
C1 C 0.08122(11) 0.8556(4) 0.2776(2) 0.0410(12) Uani 1 1 d . . . . .
C2 C 0.09591(12) 0.7731(5) 0.3026(2) 0.0442(12) Uani 1 1 d . . . . .
C3 C 0.13157(14) 0.6667(4) 0.3224(2) 0.0490(13) Uani 1 1 d . . . . .
C4 C 0.15685(16) 0.6050(5) 0.3262(3) 0.0670(19) Uani 1 1 d . . . . .
H4 H 0.1686 0.5986 0.2968 0.080 Uiso 1 1 calc R U . . .
C5 C 0.16457(19) 0.5527(6) 0.3739(4) 0.080(2) Uani 1 1 d . . . . .
H5 H 0.1823 0.5110 0.3779 0.096 Uiso 1 1 calc R U . . .
C6 C 0.1466(2) 0.5602(7) 0.4167(4) 0.092(3) Uani 1 1 d . . . . .
H6 H 0.1520 0.5219 0.4487 0.110 Uiso 1 1 calc R U . . .
C7 C 0.12133(19) 0.6215(6) 0.4134(3) 0.071(2) Uani 1 1 d . . . . .
H7 H 0.1094 0.6260 0.4427 0.086 Uiso 1 1 calc R U . . .
C8 C 0.11357(16) 0.6766(4) 0.3668(3) 0.0521(14) Uani 1 1 d . . . . .
C9 C 0.05738(13) 0.9895(4) 0.2704(3) 0.0525(14) Uani 1 1 d . . . . .
C10 C 0.03928(15) 1.0725(5) 0.2754(3) 0.0671(18) Uani 1 1 d . . . . .
H10 H 0.0260 1.0772 0.3028 0.081 Uiso 1 1 calc R U . . .
C11 C 0.04146(18) 1.1457(6) 0.2394(4) 0.079(2) Uani 1 1 d . . . . .
H11 H 0.0295 1.2022 0.2423 0.095 Uiso 1 1 calc R U . . .
C12 C 0.06102(19) 1.1400(6) 0.1978(4) 0.090(3) Uani 1 1 d . . . . .
H12 H 0.0622 1.1927 0.1739 0.108 Uiso 1 1 calc R U . . .
C13 C 0.07843(15) 1.0579(6) 0.1920(3) 0.074(2) Uani 1 1 d . . . . .
H13 H 0.0913 1.0531 0.1641 0.088 Uiso 1 1 calc R U . . .
C14 C 0.07641(12) 0.9827(5) 0.2284(3) 0.0523(14) Uani 1 1 d . . . . .
C15 C 0.18307(15) 0.8493(5) 0.3063(3) 0.0572(15) Uani 1 1 d . . . . .
H15 H 0.1838 0.7815 0.3056 0.069 Uiso 1 1 calc R U . . .
C16 C 0.20524(14) 0.8977(6) 0.3436(3) 0.0631(17) Uani 1 1 d . . . . .
H16 H 0.2206 0.8632 0.3681 0.076 Uiso 1 1 calc R U . . .
C17 C 0.20487(14) 0.9967(5) 0.3449(3) 0.0590(16) Uani 1 1 d . . . . .
C18 C 0.18099(16) 1.0410(6) 0.3088(4) 0.079(2) Uani 1 1 d . . . . .
H18 H 0.1793 1.1087 0.3087 0.095 Uiso 1 1 calc R U . . .
C19 C 0.15930(15) 0.9868(6) 0.2724(3) 0.070(2) Uani 1 1 d . . . . .
H19 H 0.1431 1.0185 0.2480 0.084 Uiso 1 1 calc R U . . .
C20 C 0.22845(15) 1.0539(6) 0.3809(3) 0.0648(17) Uani 1 1 d . . . . .
H20 H 0.2269 1.1214 0.3774 0.078 Uiso 1 1 calc R U . . .
C21 C 0.25147(14) 1.0197(5) 0.4175(3) 0.0615(17) Uani 1 1 d . . . . .
H21 H 0.2523 0.9525 0.4230 0.074 Uiso 1 1 calc R U . . .
C22 C 0.27638(14) 1.0786(5) 0.4511(3) 0.0605(17) Uani 1 1 d . . . . .
C23 C 0.31007(14) 1.0489(5) 0.4485(3) 0.0566(16) Uani 1 1 d . . . . .
C24 C 0.32009(18) 0.9662(6) 0.4255(3) 0.0696(19) Uani 1 1 d . . . . .
H24 H 0.3051 0.9216 0.4077 0.084 Uiso 1 1 calc R U . . .
C25 C 0.3520(2) 0.9495(7) 0.4286(4) 0.084(2) Uani 1 1 d . . . . .
H25 H 0.3591 0.8923 0.4136 0.101 Uiso 1 1 calc R U . . .
C26 C 0.37406(18) 1.0148(7) 0.4534(4) 0.081(2) Uani 1 1 d . . . . .
H26 H 0.3960 1.0021 0.4549 0.097 Uiso 1 1 calc R U . . .
C27 C 0.36466(16) 1.0981(6) 0.4760(3) 0.071(2) Uani 1 1 d . . . . .
H27 H 0.3799 1.1434 0.4921 0.085 Uiso 1 1 calc R U . . .
C28 C 0.33232(15) 1.1149(5) 0.4749(3) 0.0607(17) Uani 1 1 d . . . . .
C29 C 0.31640(19) 1.1973(6) 0.4997(4) 0.078(2) Uani 1 1 d . . . . .
C30 C 0.29531(17) 1.1575(5) 0.5369(4) 0.0673(19) Uani 1 1 d . . . . .
C31 C 0.2946(2) 1.1802(6) 0.5907(4) 0.081(3) Uani 1 1 d . . . . .
H31 H 0.3090 1.2260 0.6088 0.098 Uiso 1 1 calc R U . . .
C32 C 0.2727(2) 1.1358(8) 0.6194(4) 0.099(3) Uani 1 1 d . . . . .
H32 H 0.2724 1.1512 0.6570 0.118 Uiso 1 1 calc R U . . .
C33 C 0.2516(2) 1.0704(8) 0.5933(4) 0.092(3) Uani 1 1 d . . . . .
H33 H 0.2372 1.0397 0.6133 0.110 Uiso 1 1 calc R U . . .
C34 C 0.25093(15) 1.0488(6) 0.5396(4) 0.072(2) Uani 1 1 d . . . . .
H34 H 0.2359 1.0046 0.5216 0.087 Uiso 1 1 calc R U . . .
C35 C 0.27293(14) 1.0929(5) 0.5107(3) 0.0596(16) Uani 1 1 d . . . . .
C36 C 0.3392(2) 1.2720(6) 0.5246(4) 0.085(3) Uani 1 1 d . . . . .
H36 H 0.3583 1.2499 0.5460 0.102 Uiso 1 1 calc R U . . .
C37 C 0.33575(17) 1.3639(6) 0.5201(3) 0.072(2) Uani 1 1 d . . . . .
H37 H 0.3168 1.3870 0.4989 0.086 Uiso 1 1 calc R U . . .
C38 C 0.37584(15) 1.5942(5) 0.5665(3) 0.0677(19) Uani 1 1 d . . . . .
H38 H 0.3706 1.6602 0.5645 0.081 Uiso 1 1 calc R U . . .
C39 C 0.35274(16) 1.5290(6) 0.5456(4) 0.080(2) Uani 1 1 d . . . . .
H39 H 0.3321 1.5510 0.5310 0.096 Uiso 1 1 calc R U . . .
C40 C 0.35902(15) 1.4354(5) 0.5456(3) 0.0620(17) Uani 1 1 d . . . . .
C41 C 0.38982(16) 1.4069(5) 0.5683(3) 0.0662(18) Uani 1 1 d . . . . .
H41 H 0.3958 1.3415 0.5685 0.079 Uiso 1 1 calc R U . . .
C42 C 0.41116(16) 1.4758(5) 0.5901(3) 0.0672(19) Uani 1 1 d . . . . .
H42 H 0.4317 1.4559 0.6069 0.081 Uiso 1 1 calc R U . . .
C43 C 0.1140(3) 0.7373(10) 0.1401(6) 0.054(2) Uani 0.602(12) 1 d . U P A 1
C44 C 0.1145(3) 0.8312(9) 0.1213(5) 0.047(3) Uani 0.602(12) 1 d . U P A 1
C45 C 0.1462(3) 0.8660(10) 0.1384(4) 0.057(3) Uani 0.602(12) 1 d . U P A 1
C46 C 0.1656(3) 0.7888(11) 0.1631(5) 0.055(3) Uani 0.602(12) 1 d . U P A 1
C47 C 0.1463(3) 0.7129(10) 0.1643(5) 0.055(3) Uani 0.602(12) 1 d . U P A 1
C48 C 0.0857(5) 0.6690(13) 0.1293(9) 0.085(4) Uani 0.602(12) 1 d . U P A 1
H48A H 0.0671 0.6999 0.1399 0.128 Uiso 0.602(12) 1 calc R U P A 1
H48B H 0.0906 0.6106 0.1510 0.128 Uiso 0.602(12) 1 calc R U P A 1
H48C H 0.0815 0.6526 0.0901 0.128 Uiso 0.602(12) 1 calc R U P A 1
C49 C 0.0874(4) 0.8814(14) 0.0908(7) 0.090(4) Uani 0.602(12) 1 d . U P A 1
H49A H 0.0866 0.8704 0.0513 0.134 Uiso 0.602(12) 1 calc R U P A 1
H49B H 0.0895 0.9501 0.0985 0.134 Uiso 0.602(12) 1 calc R U P A 1
H49C H 0.0679 0.8577 0.1022 0.134 Uiso 0.602(12) 1 calc R U P A 1
C50 C 0.1579(5) 0.9733(14) 0.1271(8) 0.112(7) Uani 0.602(12) 1 d . U P A 1
H50A H 0.1695 0.9726 0.0959 0.169 Uiso 0.602(12) 1 calc R U P A 1
H50B H 0.1718 0.9969 0.1599 0.169 Uiso 0.602(12) 1 calc R U P A 1
H50C H 0.1395 1.0154 0.1187 0.169 Uiso 0.602(12) 1 calc R U P A 1
C51 C 0.2006(3) 0.7953(15) 0.1817(6) 0.092(5) Uani 0.602(12) 1 d . U P A 1
H51A H 0.2078 0.7400 0.2049 0.137 Uiso 0.602(12) 1 calc R U P A 1
H51B H 0.2056 0.8541 0.2029 0.137 Uiso 0.602(12) 1 calc R U P A 1
H51C H 0.2115 0.7959 0.1495 0.137 Uiso 0.602(12) 1 calc R U P A 1
C52 C 0.1573(5) 0.6157(12) 0.1834(6) 0.089(5) Uani 0.602(12) 1 d . U P A 1
H52A H 0.1554 0.5724 0.1517 0.134 Uiso 0.602(12) 1 calc R U P A 1
H52B H 0.1442 0.5919 0.2097 0.134 Uiso 0.602(12) 1 calc R U P A 1
H52C H 0.1795 0.6189 0.2011 0.134 Uiso 0.602(12) 1 calc R U P A 1
C43' C 0.1104(3) 0.7140(8) 0.1398(6) 0.054(2) Uani 0.398(12) 1 d G . P A 2
C44' C 0.1211(3) 0.8022(9) 0.1236(6) 0.047(3) Uani 0.398(12) 1 d G . P A 2
C45' C 0.1539(2) 0.8062(9) 0.1407(4) 0.062(6) Uani 0.398(12) 1 d G U P A 2
C46' C 0.1633(2) 0.7204(9) 0.1675(4) 0.054(5) Uani 0.398(12) 1 d G U P A 2
C47' C 0.1365(3) 0.6634(8) 0.1669(4) 0.056(5) Uani 0.398(12) 1 d G U P A 2
C48' C 0.0771(4) 0.6799(12) 0.1299(9) 0.085(4) Uani 0.398(12) 1 d G U P A 2
H48D H 0.0759 0.6188 0.1102 0.128 Uiso 0.398(12) 1 calc R U P A 2
H48E H 0.0637 0.7271 0.1077 0.128 Uiso 0.398(12) 1 calc R U P A 2
H48F H 0.0696 0.6712 0.1652 0.128 Uiso 0.398(12) 1 calc R U P A 2
C49' C 0.1013(4) 0.8784(13) 0.0935(9) 0.090(4) Uani 0.398(12) 1 d G U P A 2
H49D H 0.1138 0.9369 0.0933 0.134 Uiso 0.398(12) 1 calc R U P A 2
H49E H 0.0830 0.8908 0.1119 0.134 Uiso 0.398(12) 1 calc R U P A 2
H49F H 0.0939 0.8577 0.0556 0.134 Uiso 0.398(12) 1 calc R U P A 2
C50' C 0.1749(4) 0.8874(13) 0.1320(6) 0.111(10) Uani 0.398(12) 1 d G U P A 2
H50D H 0.1856 0.8736 0.1005 0.167 Uiso 0.398(12) 1 calc R U P A 2
H50E H 0.1907 0.8964 0.1651 0.167 Uiso 0.398(12) 1 calc R U P A 2
H50F H 0.1622 0.9456 0.1247 0.167 Uiso 0.398(12) 1 calc R U P A 2
C51' C 0.1962(3) 0.6944(13) 0.1922(7) 0.088(7) Uani 0.398(12) 1 d G U P A 2
H51D H 0.1957 0.6475 0.2216 0.132 Uiso 0.398(12) 1 calc R U P A 2
H51E H 0.2075 0.7517 0.2075 0.132 Uiso 0.398(12) 1 calc R U P A 2
H51F H 0.2071 0.6669 0.1638 0.132 Uiso 0.398(12) 1 calc R U P A 2
C52' C 0.1358(4) 0.5662(10) 0.1908(6) 0.086(7) Uani 0.398(12) 1 d G U P A 2
H52D H 0.1414 0.5190 0.1646 0.130 Uiso 0.398(12) 1 calc R U P A 2
H52E H 0.1144 0.5526 0.1986 0.130 Uiso 0.398(12) 1 calc R U P A 2
H52F H 0.1510 0.5628 0.2251 0.130 Uiso 0.398(12) 1 calc R U P A 2
C53 C 0.04170(17) 0.7698(6) 0.4506(3) 0.0668(19) Uani 1 1 d . . . . .
C54 C 0.03310(15) 0.8663(6) 0.4505(3) 0.0595(17) Uani 1 1 d . . . . .
C55 C 0.01248(13) 0.8897(5) 0.4000(3) 0.0553(15) Uani 1 1 d . . . . .
C56 C 0.00758(14) 0.8011(5) 0.3686(3) 0.0583(16) Uani 1 1 d . . . . .
C57 C 0.02451(17) 0.7271(5) 0.3984(3) 0.0628(18) Uani 1 1 d . . . . .
C58 C 0.0610(2) 0.7180(8) 0.4964(4) 0.098(3) Uani 1 1 d . . . . .
H58A H 0.0798 0.7557 0.5106 0.146 Uiso 1 1 calc R U . . .
H58B H 0.0674 0.6562 0.4832 0.146 Uiso 1 1 calc R U . . .
H58C H 0.0484 0.7077 0.5260 0.146 Uiso 1 1 calc R U . . .
C59 C 0.04351(18) 0.9339(8) 0.4975(3) 0.087(3) Uani 1 1 d . . . . .
H59A H 0.0324 0.9183 0.5283 0.131 Uiso 1 1 calc R U . . .
H59B H 0.0385 0.9996 0.4854 0.131 Uiso 1 1 calc R U . . .
H59C H 0.0664 0.9277 0.5094 0.131 Uiso 1 1 calc R U . . .
C60 C -0.00380(16) 0.9792(6) 0.3852(3) 0.076(2) Uani 1 1 d . . . . .
H60A H -0.0246 0.9779 0.3969 0.113 Uiso 1 1 calc R U . . .
H60B H -0.0064 0.9879 0.3452 0.113 Uiso 1 1 calc R U . . .
H60C H 0.0087 1.0321 0.4035 0.113 Uiso 1 1 calc R U . . .
C61 C -0.01333(17) 0.7951(7) 0.3146(3) 0.076(2) Uani 1 1 d . . . . .
H61A H -0.0094 0.7348 0.2966 0.114 Uiso 1 1 calc R U . . .
H61B H -0.0089 0.8487 0.2914 0.114 Uiso 1 1 calc R U . . .
H61C H -0.0355 0.7978 0.3202 0.114 Uiso 1 1 calc R U . . .
C62 C 0.0263(2) 0.6241(7) 0.3826(5) 0.097(3) Uani 1 1 d . . . . .
H62A H 0.0096 0.5881 0.3964 0.145 Uiso 1 1 calc R U . . .
H62B H 0.0470 0.5981 0.3987 0.145 Uiso 1 1 calc R U . . .
H62C H 0.0236 0.6187 0.3424 0.145 Uiso 1 1 calc R U . . .
C63 C 0.0256(3) 0.2945(9) 0.4004(6) 0.120(4) Uani 1 1 d . . . . .
O9 O 0.9653(2) 0.4814(8) 0.4475(6) 0.183(5) Uani 1 1 d . . . . .
O10 O 0.0796(3) 0.3761(11) 0.1330(6) 0.226(7) Uani 1 1 d . . . . .


_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 C47 2.007(13) . ?
Rh1 C43 2.068(14) . ?
Rh1 C46 2.108(11) . ?
Rh1 C44' 2.143(14) . ?
Rh1 N5 2.149(5) . ?
Rh1 C45' 2.162(10) . ?
Rh1 N1 2.167(5) . ?
Rh1 N2 2.170(5) . ?
Rh1 C45 2.171(8) . ?
Rh1 C44 2.233(12) . ?
Rh1 C43' 2.288(13) . ?
Rh1 C46' 2.317(8) . ?
Rh2 N6 2.118(5) 7_576 ?
Rh2 N3 2.148(4) . ?
Rh2 C53 2.153(6) . ?
Rh2 C56 2.165(6) . ?
Rh2 C54 2.168(5) . ?
Rh2 C55 2.170(5) . ?
Rh2 C57 2.180(6) . ?
Rh2 N4 2.222(5) . ?
N1 C1 1.345(7) . ?
N1 C14 1.366(8) . ?
N2 C2 1.347(7) . ?
N2 C3 1.371(8) . ?
N3 C2 1.323(7) . ?
N3 C8 1.373(8) . ?
N4 C1 1.323(7) . ?
N4 C9 1.384(8) . ?
N5 C19 1.304(9) . ?
N5 C15 1.326(8) . ?
N6 C38 1.312(8) . ?
N6 C42 1.341(9) . ?
N6 Rh2 2.118(5) 7_576 ?
O1 O2 1.480(7) . ?
O1 C22 1.495(8) . ?
O2 C29 1.470(9) . ?
O3 S1 1.419(7) . ?
O4 S1 1.421(6) . ?
O5 S1 1.449(7) . ?
S1 C63 1.794(14) . ?
F1 C63 1.280(13) . ?
F2 C63 1.374(17) . ?
F3 C63 1.310(16) . ?
C1 C2 1.409(8) . ?
C3 C4 1.376(9) . ?
C3 C8 1.440(8) . ?
C4 C5 1.377(10) . ?
C5 C6 1.404(12) . ?
C6 C7 1.372(11) . ?
C7 C8 1.377(9) . ?
C9 C10 1.412(9) . ?
C9 C14 1.417(9) . ?
C10 C11 1.366(11) . ?
C11 C12 1.424(14) . ?
C12 C13 1.390(12) . ?
C13 C14 1.393(9) . ?
C15 C16 1.387(9) . ?
C16 C17 1.387(10) . ?
C17 C18 1.389(9) . ?
C17 C20 1.469(9) . ?
C18 C19 1.405(11) . ?
C20 C21 1.315(9) . ?
C21 C22 1.489(9) . ?
C22 C35 1.510(10) . ?
C22 C23 1.511(9) . ?
C23 C24 1.388(11) . ?
C23 C28 1.408(9) . ?
C24 C25 1.377(11) . ?
C25 C26 1.382(13) . ?
C26 C27 1.379(13) . ?
C27 C28 1.399(10) . ?
C28 C29 1.518(12) . ?
C29 C30 1.491(13) . ?
C29 C36 1.494(10) . ?
C30 C31 1.366(12) . ?
C30 C35 1.397(10) . ?
C31 C32 1.407(14) . ?
C32 C33 1.372(14) . ?
C33 C34 1.350(12) . ?
C34 C35 1.410(10) . ?
C36 C37 1.298(11) . ?
C37 C40 1.478(9) . ?
C38 C39 1.383(10) . ?
C39 C40 1.337(11) . ?
C40 C41 1.405(9) . ?
C41 C42 1.377(9) . ?
C43 C44 1.395(16) . ?
C43 C47 1.456(18) . ?
C43 C48 1.531(19) . ?
C44 C45 1.441(16) . ?
C44 C49 1.459(16) . ?
C45 C46 1.436(19) . ?
C45 C50 1.62(2) . ?
C46 C47 1.348(18) . ?
C46 C51 1.500(17) . ?
C47 C52 1.491(19) . ?
C43' C44' 1.398(6) . ?
C43' C47' 1.398(6) . ?
C43' C48' 1.486(6) . ?
C44' C45' 1.398(6) . ?
C44' C49' 1.486(6) . ?
C45' C46' 1.398(6) . ?
C45' C50' 1.486(6) . ?
C46' C47' 1.397(6) . ?
C46' C51' 1.486(6) . ?
C47' C52' 1.486(6) . ?
C53 C54 1.399(11) . ?
C53 C58 1.476(12) . ?
C53 C57 1.498(11) . ?
C54 C55 1.442(10) . ?
C54 C59 1.505(9) . ?
C55 C60 1.451(11) . ?
C55 C56 1.458(9) . ?
C56 C57 1.403(11) . ?
C56 C61 1.480(10) . ?
C57 C62 1.499(12) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C47 Rh1 C43 41.8(5) . . ?
C47 Rh1 C46 38.2(5) . . ?
C43 Rh1 C46 67.0(5) . . ?
C47 Rh1 N5 122.1(4) . . ?
C43 Rh1 N5 159.5(4) . . ?
C46 Rh1 N5 92.7(4) . . ?
C44' Rh1 N5 135.7(3) . . ?
C44' Rh1 C45' 37.9(2) . . ?
N5 Rh1 C45' 104.6(3) . . ?
C47 Rh1 N1 150.9(4) . . ?
C43 Rh1 N1 109.4(4) . . ?
C46 Rh1 N1 151.1(4) . . ?
C44' Rh1 N1 105.9(4) . . ?
N5 Rh1 N1 86.86(19) . . ?
C45' Rh1 N1 134.6(4) . . ?
C47 Rh1 N2 103.6(4) . . ?
C43 Rh1 N2 109.7(4) . . ?
C46 Rh1 N2 128.8(4) . . ?
C44' Rh1 N2 138.6(3) . . ?
N5 Rh1 N2 84.83(19) . . ?
C45' Rh1 N2 143.7(4) . . ?
N1 Rh1 N2 80.01(18) . . ?
C47 Rh1 C45 64.6(6) . . ?
C43 Rh1 C45 64.8(5) . . ?
C46 Rh1 C45 39.2(5) . . ?
N5 Rh1 C45 97.9(3) . . ?
N1 Rh1 C45 112.3(4) . . ?
N2 Rh1 C45 167.5(4) . . ?
C47 Rh1 C44 65.2(5) . . ?
C43 Rh1 C44 37.6(5) . . ?
C46 Rh1 C44 65.1(5) . . ?
N5 Rh1 C44 132.0(4) . . ?
N1 Rh1 C44 94.2(4) . . ?
N2 Rh1 C44 142.6(3) . . ?
C45 Rh1 C44 38.2(4) . . ?
C44' Rh1 C43' 36.6(2) . . ?
N5 Rh1 C43' 163.4(3) . . ?
C45' Rh1 C43' 61.0(3) . . ?
N1 Rh1 C43' 109.0(3) . . ?
N2 Rh1 C43' 102.2(4) . . ?
C44' Rh1 C46' 60.8(3) . . ?
N5 Rh1 C46' 104.9(3) . . ?
C45' Rh1 C46' 36.2(2) . . ?
N1 Rh1 C46' 166.3(3) . . ?
N2 Rh1 C46' 107.6(3) . . ?
C43' Rh1 C46' 58.8(3) . . ?
N6 Rh2 N3 88.51(19) 7_576 . ?
N6 Rh2 C53 108.4(3) 7_576 . ?
N3 Rh2 C53 107.9(2) . . ?
N6 Rh2 C56 151.6(2) 7_576 . ?
N3 Rh2 C56 119.8(2) . . ?
C53 Rh2 C56 65.5(3) . . ?
N6 Rh2 C54 93.1(2) 7_576 . ?
N3 Rh2 C54 143.7(2) . . ?
C53 Rh2 C54 37.8(3) . . ?
C56 Rh2 C54 64.7(2) . . ?
N6 Rh2 C55 112.4(2) 7_576 . ?
N3 Rh2 C55 159.1(2) . . ?
C53 Rh2 C55 65.2(3) . . ?
C56 Rh2 C55 39.3(2) . . ?
C54 Rh2 C55 38.8(3) . . ?
N6 Rh2 C57 148.5(2) 7_576 . ?
N3 Rh2 C57 96.7(2) . . ?
C53 Rh2 C57 40.4(3) . . ?
C56 Rh2 C57 37.7(3) . . ?
C54 Rh2 C57 64.7(3) . . ?
C55 Rh2 C57 64.9(3) . . ?
N6 Rh2 N4 83.83(18) 7_576 . ?
N3 Rh2 N4 79.46(17) . . ?
C53 Rh2 N4 165.5(2) . . ?
C56 Rh2 N4 100.0(2) . . ?
C54 Rh2 N4 136.8(2) . . ?
C55 Rh2 N4 103.4(2) . . ?
C57 Rh2 N4 127.7(2) . . ?
C1 N1 C14 104.4(5) . . ?
C1 N1 Rh1 109.1(4) . . ?
C14 N1 Rh1 145.2(4) . . ?
C2 N2 C3 103.4(5) . . ?
C2 N2 Rh1 109.2(4) . . ?
C3 N2 Rh1 145.4(4) . . ?
C2 N3 C8 104.0(5) . . ?
C2 N3 Rh2 110.1(4) . . ?
C8 N3 Rh2 144.3(4) . . ?
C1 N4 C9 103.6(5) . . ?
C1 N4 Rh2 107.3(4) . . ?
C9 N4 Rh2 145.7(4) . . ?
C19 N5 C15 119.5(6) . . ?
C19 N5 Rh1 121.0(5) . . ?
C15 N5 Rh1 119.4(5) . . ?
C38 N6 C42 116.5(6) . . ?
C38 N6 Rh2 127.0(5) . 7_576 ?
C42 N6 Rh2 116.4(4) . 7_576 ?
O2 O1 C22 112.0(4) . . ?
C29 O2 O1 110.0(5) . . ?
O3 S1 O4 113.7(5) . . ?
O3 S1 O5 114.7(5) . . ?
O4 S1 O5 117.2(5) . . ?
O3 S1 C63 102.8(7) . . ?
O4 S1 C63 101.7(6) . . ?
O5 S1 C63 103.9(6) . . ?
N4 C1 N1 116.1(5) . . ?
N4 C1 C2 121.9(5) . . ?
N1 C1 C2 121.0(5) . . ?
N3 C2 N2 117.1(5) . . ?
N3 C2 C1 121.2(5) . . ?
N2 C2 C1 120.6(5) . . ?
N2 C3 C4 130.8(6) . . ?
N2 C3 C8 107.8(5) . . ?
C4 C3 C8 121.2(6) . . ?
C3 C4 C5 118.1(6) . . ?
C4 C5 C6 120.9(7) . . ?
C7 C6 C5 121.5(7) . . ?
C6 C7 C8 118.9(6) . . ?
N3 C8 C7 132.9(6) . . ?
N3 C8 C3 107.7(5) . . ?
C7 C8 C3 119.3(6) . . ?
N4 C9 C10 131.3(6) . . ?
N4 C9 C14 108.3(5) . . ?
C10 C9 C14 120.4(6) . . ?
C11 C10 C9 117.7(8) . . ?
C10 C11 C12 122.2(8) . . ?
C13 C12 C11 120.4(7) . . ?
C12 C13 C14 118.0(8) . . ?
N1 C14 C13 131.1(6) . . ?
N1 C14 C9 107.5(5) . . ?
C13 C14 C9 121.3(7) . . ?
N5 C15 C16 122.7(7) . . ?
C17 C16 C15 119.6(6) . . ?
C16 C17 C18 116.2(6) . . ?
C16 C17 C20 123.3(6) . . ?
C18 C17 C20 120.4(7) . . ?
C17 C18 C19 120.7(7) . . ?
N5 C19 C18 121.3(6) . . ?
C21 C20 C17 125.6(7) . . ?
C20 C21 C22 124.8(7) . . ?
C21 C22 O1 104.5(5) . . ?
C21 C22 C35 116.1(6) . . ?
O1 C22 C35 105.2(6) . . ?
C21 C22 C23 115.3(7) . . ?
O1 C22 C23 106.0(5) . . ?
C35 C22 C23 108.6(5) . . ?
C24 C23 C28 120.3(6) . . ?
C24 C23 C22 127.3(6) . . ?
C28 C23 C22 112.3(7) . . ?
C25 C24 C23 119.2(8) . . ?
C24 C25 C26 120.9(9) . . ?
C27 C26 C25 121.0(7) . . ?
C26 C27 C28 119.0(7) . . ?
C27 C28 C23 119.6(8) . . ?
C27 C28 C29 128.7(7) . . ?
C23 C28 C29 111.7(6) . . ?
O2 C29 C30 106.8(6) . . ?
O2 C29 C36 105.6(6) . . ?
C30 C29 C36 115.5(8) . . ?
O2 C29 C28 106.7(7) . . ?
C30 C29 C28 108.5(6) . . ?
C36 C29 C28 113.0(7) . . ?
C31 C30 C35 118.6(8) . . ?
C31 C30 C29 128.0(8) . . ?
C35 C30 C29 113.4(7) . . ?
C30 C31 C32 120.2(9) . . ?
C33 C32 C31 120.2(9) . . ?
C34 C33 C32 121.1(9) . . ?
C33 C34 C35 119.0(8) . . ?
C30 C35 C34 121.0(8) . . ?
C30 C35 C22 111.6(7) . . ?
C34 C35 C22 127.5(7) . . ?
C37 C36 C29 126.9(7) . . ?
C36 C37 C40 125.0(7) . . ?
N6 C38 C39 123.3(7) . . ?
C40 C39 C38 121.0(7) . . ?
C39 C40 C41 117.0(6) . . ?
C39 C40 C37 122.7(6) . . ?
C41 C40 C37 120.1(7) . . ?
C42 C41 C40 118.5(6) . . ?
N6 C42 C41 123.6(6) . . ?
C44 C43 C47 107.0(12) . . ?
C44 C43 C48 125.9(12) . . ?
C47 C43 C48 126.6(13) . . ?
C44 C43 Rh1 77.6(7) . . ?
C47 C43 Rh1 66.8(7) . . ?
C48 C43 Rh1 127.3(9) . . ?
C43 C44 C45 106.6(10) . . ?
C43 C44 C49 124.8(12) . . ?
C45 C44 C49 128.5(12) . . ?
C43 C44 Rh1 64.8(6) . . ?
C45 C44 Rh1 68.6(6) . . ?
C49 C44 Rh1 130.8(10) . . ?
C46 C45 C44 108.7(10) . . ?
C46 C45 C50 126.8(12) . . ?
C44 C45 C50 124.4(13) . . ?
C46 C45 Rh1 68.0(6) . . ?
C44 C45 Rh1 73.3(6) . . ?
C50 C45 Rh1 128.0(9) . . ?
C47 C46 C45 106.8(10) . . ?
C47 C46 C51 128.8(14) . . ?
C45 C46 C51 124.3(13) . . ?
C47 C46 Rh1 66.9(7) . . ?
C45 C46 Rh1 72.8(6) . . ?
C51 C46 Rh1 126.7(9) . . ?
C46 C47 C43 110.5(12) . . ?
C46 C47 C52 124.2(13) . . ?
C43 C47 C52 125.0(14) . . ?
C46 C47 Rh1 75.0(7) . . ?
C43 C47 Rh1 71.3(7) . . ?
C52 C47 Rh1 124.8(9) . . ?
C44' C43' C47' 108.0 . . ?
C44' C43' C48' 126.0 . . ?
C47' C43' C48' 126.0 . . ?
C44' C43' Rh1 66.1(3) . . ?
C47' C43' Rh1 76.7(4) . . ?
C48' C43' Rh1 122.8(3) . . ?
C45' C44' C43' 108.0 . . ?
C45' C44' C49' 126.0 . . ?
C43' C44' C49' 126.0 . . ?
C45' C44' Rh1 71.8(4) . . ?
C43' C44' Rh1 77.3(3) . . ?
C49' C44' Rh1 116.9(4) . . ?
C46' C45' C44' 108.0 . . ?
C46' C45' C50' 126.0 . . ?
C44' C45' C50' 126.0 . . ?
C46' C45' Rh1 77.9(4) . . ?
C44' C45' Rh1 70.3(4) . . ?
C50' C45' Rh1 117.6(3) . . ?
C47' C46' C45' 108.0 . . ?
C47' C46' C51' 126.0 . . ?
C45' C46' C51' 126.0 . . ?
C47' C46' Rh1 75.6(3) . . ?
C45' C46' Rh1 65.9(4) . . ?
C51' C46' Rh1 124.0(4) . . ?
C46' C47' C43' 108.0 . . ?
C46' C47' C52' 126.0 . . ?
C43' C47' C52' 126.0 . . ?
C46' C47' Rh1 69.9(3) . . ?
C43' C47' Rh1 68.7(4) . . ?
C52' C47' Rh1 127.0(3) . . ?
C54 C53 C58 126.2(8) . . ?
C54 C53 C57 106.9(6) . . ?
C58 C53 C57 126.6(8) . . ?
C54 C53 Rh2 71.7(4) . . ?
C58 C53 Rh2 128.1(5) . . ?
C57 C53 Rh2 70.7(3) . . ?
C53 C54 C55 110.2(6) . . ?
C53 C54 C59 124.0(7) . . ?
C55 C54 C59 125.7(7) . . ?
C53 C54 Rh2 70.5(3) . . ?
C55 C54 Rh2 70.6(3) . . ?
C59 C54 Rh2 126.7(5) . . ?
C54 C55 C60 128.0(6) . . ?
C54 C55 C56 106.2(6) . . ?
C60 C55 C56 125.3(6) . . ?
C54 C55 Rh2 70.5(3) . . ?
C60 C55 Rh2 129.8(5) . . ?
C56 C55 Rh2 70.2(3) . . ?
C57 C56 C55 109.4(6) . . ?
C57 C56 C61 127.9(7) . . ?
C55 C56 C61 122.6(7) . . ?
C57 C56 Rh2 71.7(4) . . ?
C55 C56 Rh2 70.5(3) . . ?
C61 C56 Rh2 125.6(4) . . ?
C56 C57 C53 107.2(6) . . ?
C56 C57 C62 128.2(8) . . ?
C53 C57 C62 124.6(8) . . ?
C56 C57 Rh2 70.6(3) . . ?
C53 C57 Rh2 68.8(4) . . ?
C62 C57 Rh2 124.9(5) . . ?
F1 C63 F3 110.7(14) . . ?
F1 C63 F2 105.2(12) . . ?
F3 C63 F2 109.1(12) . . ?
F1 C63 S1 114.2(9) . . ?
F3 C63 S1 110.2(9) . . ?
F2 C63 S1 107.2(12) . . ?

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
C22 O1 O2 C29 -0.1(9) . . . . ?
C9 N4 C1 N1 -1.5(6) . . . . ?
Rh2 N4 C1 N1 -166.6(4) . . . . ?
C9 N4 C1 C2 167.3(5) . . . . ?
Rh2 N4 C1 C2 2.3(6) . . . . ?
C14 N1 C1 N4 0.8(6) . . . . ?
Rh1 N1 C1 N4 171.3(4) . . . . ?
C14 N1 C1 C2 -168.2(5) . . . . ?
Rh1 N1 C1 C2 2.3(6) . . . . ?
C8 N3 C2 N2 0.6(7) . . . . ?
Rh2 N3 C2 N2 169.9(4) . . . . ?
C8 N3 C2 C1 -167.6(5) . . . . ?
Rh2 N3 C2 C1 1.6(7) . . . . ?
C3 N2 C2 N3 0.6(7) . . . . ?
Rh1 N2 C2 N3 -167.3(4) . . . . ?
C3 N2 C2 C1 168.9(5) . . . . ?
Rh1 N2 C2 C1 1.0(6) . . . . ?
N4 C1 C2 N3 -2.9(8) . . . . ?
N1 C1 C2 N3 165.4(5) . . . . ?
N4 C1 C2 N2 -170.7(5) . . . . ?
N1 C1 C2 N2 -2.4(8) . . . . ?
C2 N2 C3 C4 -177.5(7) . . . . ?
Rh1 N2 C3 C4 -17.8(13) . . . . ?
C2 N2 C3 C8 -1.6(6) . . . . ?
Rh1 N2 C3 C8 158.1(6) . . . . ?
N2 C3 C4 C5 175.4(7) . . . . ?
C8 C3 C4 C5 -0.1(11) . . . . ?
C3 C4 C5 C6 1.8(14) . . . . ?
C4 C5 C6 C7 -1.9(16) . . . . ?
C5 C6 C7 C8 0.2(15) . . . . ?
C2 N3 C8 C7 178.4(8) . . . . ?
Rh2 N3 C8 C7 15.9(13) . . . . ?
C2 N3 C8 C3 -1.6(7) . . . . ?
Rh2 N3 C8 C3 -164.1(5) . . . . ?
C6 C7 C8 N3 -178.5(8) . . . . ?
C6 C7 C8 C3 1.5(12) . . . . ?
N2 C3 C8 N3 2.0(7) . . . . ?
C4 C3 C8 N3 178.4(6) . . . . ?
N2 C3 C8 C7 -178.0(6) . . . . ?
C4 C3 C8 C7 -1.6(10) . . . . ?
C1 N4 C9 C10 -178.6(7) . . . . ?
Rh2 N4 C9 C10 -24.6(11) . . . . ?
C1 N4 C9 C14 1.6(6) . . . . ?
Rh2 N4 C9 C14 155.6(5) . . . . ?
N4 C9 C10 C11 178.7(7) . . . . ?
C14 C9 C10 C11 -1.6(10) . . . . ?
C9 C10 C11 C12 0.3(12) . . . . ?
C10 C11 C12 C13 0.9(13) . . . . ?
C11 C12 C13 C14 -0.8(11) . . . . ?
C1 N1 C14 C13 177.2(6) . . . . ?
Rh1 N1 C14 C13 13.1(12) . . . . ?
C1 N1 C14 C9 0.3(6) . . . . ?
Rh1 N1 C14 C9 -163.8(5) . . . . ?
C12 C13 C14 N1 -177.0(7) . . . . ?
C12 C13 C14 C9 -0.4(10) . . . . ?
N4 C9 C14 N1 -1.2(6) . . . . ?
C10 C9 C14 N1 179.0(5) . . . . ?
N4 C9 C14 C13 -178.5(5) . . . . ?
C10 C9 C14 C13 1.7(9) . . . . ?
C19 N5 C15 C16 -0.9(10) . . . . ?
Rh1 N5 C15 C16 175.7(5) . . . . ?
N5 C15 C16 C17 -0.8(11) . . . . ?
C15 C16 C17 C18 2.0(11) . . . . ?
C15 C16 C17 C20 -176.6(7) . . . . ?
C16 C17 C18 C19 -1.6(12) . . . . ?
C20 C17 C18 C19 176.9(7) . . . . ?
C15 N5 C19 C18 1.2(11) . . . . ?
Rh1 N5 C19 C18 -175.3(6) . . . . ?
C17 C18 C19 N5 0.1(13) . . . . ?
C16 C17 C20 C21 -3.4(12) . . . . ?
C18 C17 C20 C21 178.1(8) . . . . ?
C17 C20 C21 C22 175.9(7) . . . . ?
C20 C21 C22 O1 -10.7(10) . . . . ?
C20 C21 C22 C35 104.7(9) . . . . ?
C20 C21 C22 C23 -126.6(8) . . . . ?
O2 O1 C22 C21 -179.6(6) . . . . ?
O2 O1 C22 C35 57.6(7) . . . . ?
O2 O1 C22 C23 -57.3(8) . . . . ?
C21 C22 C23 C24 -10.3(10) . . . . ?
O1 C22 C23 C24 -125.4(7) . . . . ?
C35 C22 C23 C24 122.0(8) . . . . ?
C21 C22 C23 C28 171.8(6) . . . . ?
O1 C22 C23 C28 56.7(7) . . . . ?
C35 C22 C23 C28 -55.9(7) . . . . ?
C28 C23 C24 C25 0.0(10) . . . . ?
C22 C23 C24 C25 -177.8(7) . . . . ?
C23 C24 C25 C26 -1.3(12) . . . . ?
C24 C25 C26 C27 0.5(12) . . . . ?
C25 C26 C27 C28 1.6(11) . . . . ?
C26 C27 C28 C23 -2.9(10) . . . . ?
C26 C27 C28 C29 176.0(7) . . . . ?
C24 C23 C28 C27 2.1(10) . . . . ?
C22 C23 C28 C27 -179.8(6) . . . . ?
C24 C23 C28 C29 -177.0(6) . . . . ?
C22 C23 C28 C29 1.1(8) . . . . ?
O1 O2 C29 C30 -57.5(9) . . . . ?
O1 O2 C29 C36 179.0(7) . . . . ?
O1 O2 C29 C28 58.4(8) . . . . ?
C27 C28 C29 O2 120.7(7) . . . . ?
C23 C28 C29 O2 -60.3(7) . . . . ?
C27 C28 C29 C30 -124.5(7) . . . . ?
C23 C28 C29 C30 54.5(8) . . . . ?
C27 C28 C29 C36 5.0(11) . . . . ?
C23 C28 C29 C36 -176.0(7) . . . . ?
O2 C29 C30 C31 -118.0(8) . . . . ?
C36 C29 C30 C31 -0.8(12) . . . . ?
C28 C29 C30 C31 127.3(8) . . . . ?
O2 C29 C30 C35 58.6(8) . . . . ?
C36 C29 C30 C35 175.8(6) . . . . ?
C28 C29 C30 C35 -56.2(7) . . . . ?
C35 C30 C31 C32 2.8(11) . . . . ?
C29 C30 C31 C32 179.2(7) . . . . ?
C30 C31 C32 C33 -0.8(13) . . . . ?
C31 C32 C33 C34 -1.5(14) . . . . ?
C32 C33 C34 C35 1.6(13) . . . . ?
C31 C30 C35 C34 -2.7(10) . . . . ?
C29 C30 C35 C34 -179.6(6) . . . . ?
C31 C30 C35 C22 178.1(6) . . . . ?
C29 C30 C35 C22 1.1(8) . . . . ?
C33 C34 C35 C30 0.5(11) . . . . ?
C33 C34 C35 C22 179.6(7) . . . . ?
C21 C22 C35 C30 -173.4(6) . . . . ?
O1 C22 C35 C30 -58.4(6) . . . . ?
C23 C22 C35 C30 54.8(8) . . . . ?
C21 C22 C35 C34 7.4(10) . . . . ?
O1 C22 C35 C34 122.4(7) . . . . ?
C23 C22 C35 C34 -124.4(7) . . . . ?
O2 C29 C36 C37 20.6(15) . . . . ?
C30 C29 C36 C37 -97.2(12) . . . . ?
C28 C29 C36 C37 136.9(10) . . . . ?
C29 C36 C37 C40 179.9(9) . . . . ?
C42 N6 C38 C39 1.2(12) . . . . ?
Rh2 N6 C38 C39 176.6(7) 7_576 . . . ?
N6 C38 C39 C40 -2.2(14) . . . . ?
C38 C39 C40 C41 0.6(14) . . . . ?
C38 C39 C40 C37 -175.6(8) . . . . ?
C36 C37 C40 C39 -171.5(10) . . . . ?
C36 C37 C40 C41 12.4(14) . . . . ?
C39 C40 C41 C42 1.7(12) . . . . ?
C37 C40 C41 C42 178.0(8) . . . . ?
C38 N6 C42 C41 1.4(12) . . . . ?
Rh2 N6 C42 C41 -174.6(7) 7_576 . . . ?
C40 C41 C42 N6 -2.8(13) . . . . ?
C47 C43 C44 C45 -5.0(12) . . . . ?
C48 C43 C44 C45 -176.8(11) . . . . ?
Rh1 C43 C44 C45 55.8(8) . . . . ?
C47 C43 C44 C49 175.7(12) . . . . ?
C48 C43 C44 C49 3.9(19) . . . . ?
Rh1 C43 C44 C49 -123.6(12) . . . . ?
C47 C43 C44 Rh1 -60.8(8) . . . . ?
C48 C43 C44 Rh1 127.4(12) . . . . ?
C43 C44 C45 C46 5.6(12) . . . . ?
C49 C44 C45 C46 -175.1(12) . . . . ?
Rh1 C44 C45 C46 59.0(7) . . . . ?
C43 C44 C45 C50 -178.4(11) . . . . ?
C49 C44 C45 C50 1(2) . . . . ?
Rh1 C44 C45 C50 -124.9(12) . . . . ?
C43 C44 C45 Rh1 -53.5(8) . . . . ?
C49 C44 C45 Rh1 125.8(13) . . . . ?
C44 C45 C46 C47 -3.9(13) . . . . ?
C50 C45 C46 C47 -179.8(12) . . . . ?
Rh1 C45 C46 C47 58.5(8) . . . . ?
C44 C45 C46 C51 174.6(11) . . . . ?
C50 C45 C46 C51 -1.3(18) . . . . ?
Rh1 C45 C46 C51 -123.1(12) . . . . ?
C44 C45 C46 Rh1 -62.3(8) . . . . ?
C50 C45 C46 Rh1 121.8(12) . . . . ?
C45 C46 C47 C43 0.7(14) . . . . ?
C51 C46 C47 C43 -177.7(12) . . . . ?
Rh1 C46 C47 C43 63.0(9) . . . . ?
C45 C46 C47 C52 175.6(11) . . . . ?
C51 C46 C47 C52 -3(2) . . . . ?
Rh1 C46 C47 C52 -122.1(13) . . . . ?
C45 C46 C47 Rh1 -62.3(8) . . . . ?
C51 C46 C47 Rh1 119.4(13) . . . . ?
C44 C43 C47 C46 2.8(14) . . . . ?
C48 C43 C47 C46 174.5(11) . . . . ?
Rh1 C43 C47 C46 -65.2(9) . . . . ?
C44 C43 C47 C52 -172.1(11) . . . . ?
C48 C43 C47 C52 -0.4(19) . . . . ?
Rh1 C43 C47 C52 119.9(13) . . . . ?
C44 C43 C47 Rh1 68.0(8) . . . . ?
C48 C43 C47 Rh1 -120.3(12) . . . . ?
C47' C43' C44' C45' 0.0 . . . . ?
C48' C43' C44' C45' 180.0 . . . . ?
Rh1 C43' C44' C45' 65.8(4) . . . . ?
C47' C43' C44' C49' 180.0 . . . . ?
C48' C43' C44' C49' 0.0 . . . . ?
Rh1 C43' C44' C49' -114.2(4) . . . . ?
C47' C43' C44' Rh1 -65.8(4) . . . . ?
C48' C43' C44' Rh1 114.2(4) . . . . ?
C43' C44' C45' C46' 0.0 . . . . ?
C49' C44' C45' C46' 180.0 . . . . ?
Rh1 C44' C45' C46' 69.6(4) . . . . ?
C43' C44' C45' C50' 180.0 . . . . ?
C49' C44' C45' C50' 0.0 . . . . ?
Rh1 C44' C45' C50' -110.4(4) . . . . ?
C43' C44' C45' Rh1 -69.6(4) . . . . ?
C49' C44' C45' Rh1 110.4(4) . . . . ?
C44' C45' C46' C47' 0.0 . . . . ?
C50' C45' C46' C47' 180.0 . . . . ?
Rh1 C45' C46' C47' 64.4(4) . . . . ?
C44' C45' C46' C51' 180.0 . . . . ?
C50' C45' C46' C51' 0.0 . . . . ?
Rh1 C45' C46' C51' -115.6(4) . . . . ?
C44' C45' C46' Rh1 -64.4(4) . . . . ?
C50' C45' C46' Rh1 115.6(4) . . . . ?
C45' C46' C47' C43' 0.0 . . . . ?
C51' C46' C47' C43' 180.0 . . . . ?
Rh1 C46' C47' C43' 58.2(4) . . . . ?
C45' C46' C47' C52' 180.0 . . . . ?
C51' C46' C47' C52' 0.0 . . . . ?
Rh1 C46' C47' C52' -121.8(4) . . . . ?
C45' C46' C47' Rh1 -58.2(4) . . . . ?
C51' C46' C47' Rh1 121.8(4) . . . . ?
C44' C43' C47' C46' 0.0 . . . . ?
C48' C43' C47' C46' 180.0 . . . . ?
Rh1 C43' C47' C46' -59.0(3) . . . . ?
C44' C43' C47' C52' 180.0 . . . . ?
C48' C43' C47' C52' 0.0 . . . . ?
Rh1 C43' C47' C52' 121.0(3) . . . . ?
C44' C43' C47' Rh1 59.0(3) . . . . ?
C48' C43' C47' Rh1 -121.0(3) . . . . ?
C58 C53 C54 C55 -176.1(6) . . . . ?
C57 C53 C54 C55 -2.7(7) . . . . ?
Rh2 C53 C54 C55 59.7(4) . . . . ?
C58 C53 C54 C59 2.4(11) . . . . ?
C57 C53 C54 C59 175.8(6) . . . . ?
Rh2 C53 C54 C59 -121.8(6) . . . . ?
C58 C53 C54 Rh2 124.2(7) . . . . ?
C57 C53 C54 Rh2 -62.4(4) . . . . ?
C53 C54 C55 C60 174.6(6) . . . . ?
C59 C54 C55 C60 -3.9(10) . . . . ?
Rh2 C54 C55 C60 -125.8(6) . . . . ?
C53 C54 C55 C56 1.9(7) . . . . ?
C59 C54 C55 C56 -176.7(6) . . . . ?
Rh2 C54 C55 C56 61.5(4) . . . . ?
C53 C54 C55 Rh2 -59.6(4) . . . . ?
C59 C54 C55 Rh2 121.9(7) . . . . ?
C54 C55 C56 C57 -0.2(6) . . . . ?
C60 C55 C56 C57 -173.2(6) . . . . ?
Rh2 C55 C56 C57 61.5(4) . . . . ?
C54 C55 C56 C61 177.8(6) . . . . ?
C60 C55 C56 C61 4.8(9) . . . . ?
Rh2 C55 C56 C61 -120.5(6) . . . . ?
C54 C55 C56 Rh2 -61.7(4) . . . . ?
C60 C55 C56 Rh2 125.3(6) . . . . ?
C55 C56 C57 C53 -1.4(6) . . . . ?
C61 C56 C57 C53 -179.3(6) . . . . ?
Rh2 C56 C57 C53 59.3(4) . . . . ?
C55 C56 C57 C62 179.5(6) . . . . ?
C61 C56 C57 C62 1.7(10) . . . . ?
Rh2 C56 C57 C62 -119.7(7) . . . . ?
C55 C56 C57 Rh2 -60.8(4) . . . . ?
C61 C56 C57 Rh2 121.4(6) . . . . ?
C54 C53 C57 C56 2.6(7) . . . . ?
C58 C53 C57 C56 175.9(6) . . . . ?
Rh2 C53 C57 C56 -60.5(4) . . . . ?
C54 C53 C57 C62 -178.4(6) . . . . ?
C58 C53 C57 C62 -5.0(10) . . . . ?
Rh2 C53 C57 C62 118.6(6) . . . . ?
C54 C53 C57 Rh2 63.0(4) . . . . ?
C58 C53 C57 Rh2 -123.6(7) . . . . ?
O3 S1 C63 F1 -59.7(13) . . . . ?
O4 S1 C63 F1 58.2(13) . . . . ?
O5 S1 C63 F1 -179.6(11) . . . . ?
O3 S1 C63 F3 174.9(10) . . . . ?
O4 S1 C63 F3 -67.1(11) . . . . ?
O5 S1 C63 F3 55.0(12) . . . . ?
O3 S1 C63 F2 56.4(10) . . . . ?
O4 S1 C63 F2 174.3(9) . . . . ?
O5 S1 C63 F2 -63.5(10) . . . . ?

_refine_diff_density_max         3.233
_refine_diff_density_min         -1.619
_refine_diff_density_rms         0.109

####################################################################### 
# 
# 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_6
_database_code_depnum_ccdc_archive 'CCDC 1575533'
_audit_update_record             
;
2017-09-20 deposited with the CCDC.
2018-01-24 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            'C118 H132 F12 N4 O28 Rh4 S4'
_chemical_formula_weight         2822.15

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh 0.0927 3.6045 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 '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/n'
_space_group_name_Hall           '-P 2yn'

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

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

_cell_length_a                   18.2667(5)
_cell_length_b                   13.9397(4)
_cell_length_c                   24.7859(6)
_cell_angle_alpha                90
_cell_angle_beta                 100.7940(10)
_cell_angle_gamma                90
_cell_volume                     6199.6(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9769
_cell_measurement_theta_min      3.63
_cell_measurement_theta_max      71.16

_exptl_crystal_description       sheet
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.512
_exptl_crystal_F_000             2888
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.440
_exptl_crystal_size_mid          0.320
_exptl_crystal_size_min          0.070
_exptl_absorpt_coefficient_mu    5.644
_shelx_estimated_absorpt_T_min   0.190
_shelx_estimated_absorpt_T_max   0.693
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.263
_exptl_absorpt_correction_T_max  0.424
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\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            37173
_diffrn_reflns_av_unetI/netI     0.0465
_diffrn_reflns_av_R_equivalents  0.0500
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         3.322
_diffrn_reflns_theta_max         67.999
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measured_fraction_theta_full 0.969
_diffrn_reflns_Laue_measured_fraction_max 0.968
_diffrn_reflns_Laue_measured_fraction_full 0.969
_diffrn_reflns_point_group_measured_fraction_max 0.968
_diffrn_reflns_point_group_measured_fraction_full 0.969
_reflns_number_total             10929
_reflns_number_gt                8650
_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. 
  
 Structure factors included contributions from the .fab file. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_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 bipyridine ligand was disordered and it was divided 
 into two parts (72:28). O8 was refined isotropically and 
 other non-hydrogen atoms were refined anisotropically. 16 
 ISOR, 2 SIMU and 3 DFIX instructions were used to restrain 
 disordered ligand so that there were 177 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)+(0.1149P)²+35.0816P] 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         10929
_refine_ls_number_parameters     703
_refine_ls_number_restraints     177
_refine_ls_R_factor_all          0.0771
_refine_ls_R_factor_gt           0.0613
_refine_ls_wR_factor_ref         0.1863
_refine_ls_wR_factor_gt          0.1667
_refine_ls_goodness_of_fit_ref   0.880
_refine_ls_restrained_S_all      0.874
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.09832(2) 0.66103(3) 0.37825(2) 0.04140(15) Uani 1 1 d . . . . .
Rh2 Rh -0.29699(2) 0.91339(3) 0.34955(2) 0.03887(14) Uani 1 1 d . . . . .
N2 N 0.2496(3) 1.0549(4) -0.28003(19) 0.0429(11) Uani 1 1 d . . . . .
O1 O -0.0170(2) 0.6364(3) 0.34876(17) 0.0441(9) Uani 1 1 d . . . . .
O2 O 0.0465(2) 0.7813(3) 0.40695(17) 0.0457(9) Uani 1 1 d . . . . .
O3 O -0.1871(2) 0.9253(3) 0.39508(16) 0.0434(9) Uani 1 1 d . . . . .
O4 O -0.2516(2) 0.7749(3) 0.34305(16) 0.0411(9) Uani 1 1 d . . . . .
O5 O 0.4082(4) 0.1579(4) 0.8763(2) 0.0803(17) Uani 1 1 d . . . . .
O6 O 0.3226(4) 0.2887(5) 0.8802(3) 0.0933(19) Uani 1 1 d . . . . .
O7 O 0.3928(4) 0.2824(5) 0.8080(2) 0.0882(18) Uani 1 1 d . . . . .
S1 S 0.38787(11) 0.25470(15) 0.86327(8) 0.0648(5) Uani 1 1 d . . . . .
F1 F 0.4663(5) 0.3020(6) 0.9584(3) 0.151(3) Uani 1 1 d . . . . .
F2 F 0.4512(4) 0.4133(4) 0.8994(4) 0.130(3) Uani 1 1 d . . . . .
F3 F 0.5267(3) 0.3017(5) 0.8920(4) 0.136(3) Uani 1 1 d . . . . .
C1 C -0.0607(3) 0.7003(4) 0.3600(2) 0.0390(12) Uani 1 1 d . . . . .
C2 C -0.0248(3) 0.7836(4) 0.3928(2) 0.0393(12) Uani 1 1 d . . . . .
C3 C -0.0669(3) 0.8593(4) 0.4056(2) 0.0433(13) Uani 1 1 d . . . . .
H3 H -0.0437 0.9118 0.4266 0.052 Uiso 1 1 calc R U . . .
C4 C -0.1440(3) 0.8583(4) 0.3875(2) 0.0397(12) Uani 1 1 d . . . . .
C5 C -0.1806(3) 0.7700(4) 0.3564(2) 0.0385(12) Uani 1 1 d . . . . .
C6 C -0.1378(3) 0.6954(4) 0.3441(2) 0.0409(12) Uani 1 1 d . . . . .
H6 H -0.1605 0.6409 0.3250 0.049 Uiso 1 1 calc R U . . .
N1 N 0.1006(6) 0.7465(8) 0.3090(4) 0.045(2) Uani 0.723(14) 1 d . U P A 1
C7 C 0.0738(6) 0.7126(9) 0.2585(4) 0.050(2) Uani 0.723(14) 1 d . U P A 1
H7 H 0.0488 0.6525 0.2554 0.060 Uiso 0.723(14) 1 calc R U P A 1
C8 C 0.0806(6) 0.7603(10) 0.2109(4) 0.056(3) Uani 0.723(14) 1 d . U P A 1
H8 H 0.0609 0.7328 0.1761 0.067 Uiso 0.723(14) 1 calc R U P A 1
C9 C 0.1162(6) 0.8486(10) 0.2139(4) 0.049(3) Uani 0.723(14) 1 d . U P A 1
C10 C 0.1436(5) 0.8835(8) 0.2667(4) 0.045(2) Uani 0.723(14) 1 d . U P A 1
H10 H 0.1690 0.9432 0.2712 0.054 Uiso 0.723(14) 1 calc R U P A 1
C11 C 0.1341(6) 0.8315(8) 0.3127(4) 0.048(2) Uani 0.723(14) 1 d . U P A 1
H11 H 0.1523 0.8576 0.3481 0.057 Uiso 0.723(14) 1 calc R U P A 1
C12 C 0.1301(5) 0.9035(7) 0.1666(4) 0.050(2) Uani 0.723(14) 1 d . U P A 1
H12 H 0.1409 0.9700 0.1714 0.060 Uiso 0.723(14) 1 calc R U P A 1
C13 C 0.1282(6) 0.8652(10) 0.1174(4) 0.054(3) Uani 0.723(14) 1 d D U P A 1
H13 H 0.1131 0.8001 0.1122 0.065 Uiso 0.723(14) 1 calc R U P A 1
N1' N 0.0930(15) 0.7246(16) 0.2970(9) 0.048(5) Uani 0.277(14) 1 d G U P A 2
C7' C 0.0657(13) 0.6713(16) 0.2507(8) 0.053(5) Uani 0.277(14) 1 d G U P A 2
H7' H 0.0431 0.6108 0.2542 0.063 Uiso 0.277(14) 1 calc R U P A 2
C8' C 0.0713(12) 0.7058(18) 0.1995(7) 0.058(7) Uani 0.277(14) 1 d G U P A 2
H8' H 0.0525 0.6690 0.1676 0.069 Uiso 0.277(14) 1 calc R U P A 2
C9' C 0.1042(12) 0.7936(18) 0.1945(8) 0.051(7) Uani 0.277(14) 1 d DG U P A 2
C10' C 0.1315(11) 0.8469(16) 0.2408(10) 0.044(7) Uani 0.277(14) 1 d G U P A 2
H10' H 0.1542 0.9074 0.2374 0.053 Uiso 0.277(14) 1 calc R U P A 2
C11' C 0.1259(13) 0.8125(16) 0.2920(10) 0.054(5) Uani 0.277(14) 1 d G U P A 2
H11' H 0.1447 0.8492 0.3239 0.065 Uiso 0.277(14) 1 calc R U P A 2
C12' C 0.117(2) 0.822(2) 0.1398(11) 0.083(10) Uani 0.277(14) 1 d D U P A 2
H12' H 0.1120 0.7740 0.1120 0.099 Uiso 0.277(14) 1 calc R U P A 2
C13' C 0.1342(18) 0.912(2) 0.1267(14) 0.056(7) Uani 0.277(14) 1 d D U P A 2
H13' H 0.1372 0.9654 0.1510 0.067 Uiso 0.277(14) 1 calc R U P A 2
C14 C 0.1486(4) 0.9181(6) 0.0688(3) 0.0606(19) Uani 1 1 d D . . . .
C15 C 0.2040(4) 0.8713(5) 0.0461(2) 0.0528(16) Uani 1 1 d . . . . .
C16 C 0.2441(4) 0.7895(6) 0.0718(3) 0.065(2) Uani 1 1 d . . . . .
H16 H 0.2314 0.7642 0.1044 0.078 Uiso 1 1 calc R U . . .
C17 C 0.2989(5) 0.7478(6) 0.0508(3) 0.069(2) Uani 1 1 d . . . . .
H17 H 0.3243 0.6939 0.0689 0.082 Uiso 1 1 calc R U . . .
C18 C 0.3192(5) 0.7833(6) 0.0020(3) 0.0652(19) Uani 1 1 d . . . . .
H18 H 0.3583 0.7539 -0.0125 0.078 Uiso 1 1 calc R U . . .
C19 C 0.2823(4) 0.8593(6) -0.0236(3) 0.0620(18) Uani 1 1 d . . . . .
H19 H 0.2965 0.8824 -0.0562 0.074 Uiso 1 1 calc R U . . .
C20 C 0.2228(4) 0.9071(5) -0.0042(3) 0.0521(16) Uani 1 1 d . . . . .
C21 C 0.1850(4) 0.9881(5) -0.0299(2) 0.0513(15) Uani 1 1 d . . . . .
C22 C 0.1314(4) 1.0360(5) -0.0058(3) 0.0532(16) Uani 1 1 d . . . . .
C23 C 0.0940(4) 1.1203(6) -0.0303(3) 0.0598(17) Uani 1 1 d . . . . .
H23 H 0.1055 1.1442 -0.0636 0.072 Uiso 1 1 calc R U . . .
C24 C 0.0425(4) 1.1665(7) -0.0069(3) 0.070(2) Uani 1 1 d . . . . .
H24 H 0.0199 1.2237 -0.0230 0.084 Uiso 1 1 calc R U . . .
C25 C 0.0225(4) 1.1300(8) 0.0410(3) 0.081(3) Uani 1 1 d . . . . .
H25 H -0.0148 1.1618 0.0564 0.097 Uiso 1 1 calc R U . . .
C26 C 0.0554(4) 1.0502(7) 0.0657(3) 0.070(2) Uani 1 1 d . . . . .
H26 H 0.0401 1.0267 0.0978 0.084 Uiso 1 1 calc R U . . .
C27 C 0.1131(4) 1.0000(6) 0.0446(3) 0.0578(18) Uani 1 1 d . . . . .
C28 C 0.2005(4) 1.0231(5) -0.0828(2) 0.0528(15) Uani 1 1 d . . . . .
H28 H 0.2144 1.0885 -0.0852 0.063 Uiso 1 1 calc R U . . .
C29 C 0.1961(4) 0.9681(6) -0.1281(3) 0.0639(19) Uani 1 1 d . . . . .
H29 H 0.1813 0.9031 -0.1256 0.077 Uiso 1 1 calc R U . . .
C30 C 0.2173(3) 0.9706(4) -0.2753(2) 0.0420(13) Uani 1 1 d . . . . .
H30 H 0.2066 0.9296 -0.3064 0.050 Uiso 1 1 calc R U . . .
C31 C 0.1991(4) 0.9409(5) -0.2263(2) 0.0465(14) Uani 1 1 d . . . . .
H31 H 0.1774 0.8794 -0.2239 0.056 Uiso 1 1 calc R U . . .
C32 C 0.2123(4) 1.0005(5) -0.1804(2) 0.0501(15) Uani 1 1 d . . . . .
C33 C 0.2419(4) 1.0907(5) -0.1874(3) 0.0575(17) Uani 1 1 d . . . . .
H33 H 0.2489 1.1357 -0.1580 0.069 Uiso 1 1 calc R U . . .
C34 C 0.2611(4) 1.1145(6) -0.2367(3) 0.0583(17) Uani 1 1 d . . . . .
H34 H 0.2834 1.1752 -0.2403 0.070 Uiso 1 1 calc R U . . .
C35 C 0.2141(3) 0.6263(5) 0.3942(3) 0.0595(18) Uani 1 1 d . . . . .
C36 C 0.1904(4) 0.6478(5) 0.4444(3) 0.0578(17) Uani 1 1 d . . . . .
C37 C 0.1349(4) 0.5802(5) 0.4517(3) 0.0564(17) Uani 1 1 d . . . . .
C38 C 0.1245(4) 0.5173(5) 0.4066(3) 0.0588(17) Uani 1 1 d . . . . .
C39 C 0.1710(4) 0.5465(5) 0.3703(3) 0.0554(16) Uani 1 1 d . . . . .
C40 C 0.2730(4) 0.6785(8) 0.3707(5) 0.101(4) Uani 1 1 d . . . . .
H40A H 0.3216 0.6486 0.3840 0.151 Uiso 1 1 calc R U . . .
H40B H 0.2746 0.7458 0.3823 0.151 Uiso 1 1 calc R U . . .
H40C H 0.2613 0.6750 0.3305 0.151 Uiso 1 1 calc R U . . .
C41 C 0.2183(5) 0.7273(7) 0.4823(4) 0.091(3) Uani 1 1 d . . . . .
H41A H 0.1835 0.7382 0.5074 0.137 Uiso 1 1 calc R U . . .
H41B H 0.2224 0.7857 0.4611 0.137 Uiso 1 1 calc R U . . .
H41C H 0.2674 0.7104 0.5036 0.137 Uiso 1 1 calc R U . . .
C42 C 0.0952(6) 0.5756(9) 0.4995(4) 0.100(4) Uani 1 1 d . . . . .
H42A H 0.0424 0.5610 0.4862 0.150 Uiso 1 1 calc R U . . .
H42B H 0.0996 0.6375 0.5185 0.150 Uiso 1 1 calc R U . . .
H42C H 0.1175 0.5253 0.5249 0.150 Uiso 1 1 calc R U . . .
C43 C 0.0681(5) 0.4378(6) 0.3965(5) 0.089(3) Uani 1 1 d . . . . .
H43A H 0.0854 0.3836 0.4206 0.133 Uiso 1 1 calc R U . . .
H43B H 0.0616 0.4172 0.3581 0.133 Uiso 1 1 calc R U . . .
H43C H 0.0203 0.4609 0.4040 0.133 Uiso 1 1 calc R U . . .
C44 C 0.1783(6) 0.4955(8) 0.3173(4) 0.091(3) Uani 1 1 d . . . . .
H44A H 0.2138 0.4424 0.3256 0.137 Uiso 1 1 calc R U . . .
H44B H 0.1963 0.5409 0.2925 0.137 Uiso 1 1 calc R U . . .
H44C H 0.1296 0.4704 0.2996 0.137 Uiso 1 1 calc R U . . .
C45 C -0.3746(3) 1.0307(5) 0.3435(3) 0.0508(15) Uani 1 1 d . . . . .
C46 C -0.4092(3) 0.9479(5) 0.3140(3) 0.0503(15) Uani 1 1 d . . . . .
C47 C -0.4089(3) 0.8708(5) 0.3513(3) 0.0502(15) Uani 1 1 d . . . . .
C48 C -0.3731(3) 0.9052(5) 0.4048(3) 0.0523(16) Uani 1 1 d . . . . .
C49 C -0.3524(3) 1.0018(5) 0.3996(3) 0.0537(16) Uani 1 1 d . . . . .
C50 C -0.3667(5) 1.1270(6) 0.3206(4) 0.076(2) Uani 1 1 d . . . . .
H50A H -0.4080 1.1678 0.3269 0.113 Uiso 1 1 calc R U . . .
H50B H -0.3675 1.1219 0.2811 0.113 Uiso 1 1 calc R U . . .
H50C H -0.3194 1.1554 0.3387 0.113 Uiso 1 1 calc R U . . .
C51 C -0.4426(4) 0.9460(8) 0.2533(3) 0.077(2) Uani 1 1 d . . . . .
H51A H -0.4354 0.8822 0.2384 0.115 Uiso 1 1 calc R U . . .
H51B H -0.4179 0.9942 0.2341 0.115 Uiso 1 1 calc R U . . .
H51C H -0.4960 0.9602 0.2481 0.115 Uiso 1 1 calc R U . . .
C52 C -0.4374(4) 0.7733(6) 0.3369(4) 0.074(2) Uani 1 1 d . . . . .
H52A H -0.4907 0.7709 0.3380 0.111 Uiso 1 1 calc R U . . .
H52B H -0.4106 0.7272 0.3633 0.111 Uiso 1 1 calc R U . . .
H52C H -0.4298 0.7571 0.2999 0.111 Uiso 1 1 calc R U . . .
C53 C -0.3629(5) 0.8483(8) 0.4574(4) 0.088(3) Uani 1 1 d . . . . .
H53A H -0.3182 0.8706 0.4825 0.133 Uiso 1 1 calc R U . . .
H53B H -0.3575 0.7801 0.4493 0.133 Uiso 1 1 calc R U . . .
H53C H -0.4065 0.8571 0.4747 0.133 Uiso 1 1 calc R U . . .
C54 C -0.3145(5) 1.0671(7) 0.4433(3) 0.079(2) Uani 1 1 d . . . . .
H54A H -0.2971 1.0304 0.4770 0.119 Uiso 1 1 calc R U . . .
H54B H -0.3495 1.1167 0.4505 0.119 Uiso 1 1 calc R U . . .
H54C H -0.2718 1.0974 0.4314 0.119 Uiso 1 1 calc R U . . .
C55 C 0.4607(6) 0.3216(7) 0.9051(5) 0.094(3) Uani 1 1 d . . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 N1 2.096(9) . ?
Rh1 C39 2.109(6) . ?
Rh1 O2 2.113(4) . ?
Rh1 O1 2.124(4) . ?
Rh1 C36 2.126(6) . ?
Rh1 C35 2.133(6) . ?
Rh1 C37 2.140(6) . ?
Rh1 C38 2.148(7) . ?
Rh1 N1' 2.19(2) . ?
Rh2 N2 2.115(5) 3_575 ?
Rh2 O3 2.118(4) . ?
Rh2 O4 2.119(4) . ?
Rh2 C46 2.128(6) . ?
Rh2 C48 2.130(5) . ?
Rh2 C49 2.135(6) . ?
Rh2 C47 2.136(6) . ?
Rh2 C45 2.151(6) . ?
N2 C30 1.330(8) . ?
N2 C34 1.342(9) . ?
N2 Rh2 2.115(5) 3_575 ?
O1 C1 1.262(7) . ?
O2 C2 1.284(7) . ?
O3 C4 1.259(7) . ?
O4 C5 1.279(7) . ?
O5 S1 1.421(6) . ?
O6 S1 1.418(6) . ?
O7 S1 1.442(6) . ?
S1 C55 1.788(11) . ?
F1 C55 1.334(13) . ?
F2 C55 1.295(11) . ?
F3 C55 1.334(13) . ?
C1 C6 1.390(8) . ?
C1 C2 1.497(8) . ?
C2 C3 1.378(8) . ?
C3 C4 1.395(8) . ?
C3 H3 0.9500 . ?
C4 C5 1.536(8) . ?
C5 C6 1.370(8) . ?
C6 H6 0.9500 . ?
N1 C11 1.329(13) . ?
N1 C7 1.342(12) . ?
C7 C8 1.382(14) . ?
C7 H7 0.9500 . ?
C8 C9 1.387(16) . ?
C8 H8 0.9500 . ?
C9 C10 1.398(13) . ?
C9 C12 1.462(13) . ?
C10 C11 1.388(13) . ?
C10 H10 0.9500 . ?
C11 H11 0.9500 . ?
C12 C13 1.326(14) . ?
C12 H12 0.9500 . ?
C13 C14 1.517(11) . ?
C13 H13 0.9500 . ?
N1' C11' 1.379(13) . ?
N1' C7' 1.379(13) . ?
C7' C8' 1.379(13) . ?
C7' H7' 0.9500 . ?
C8' C9' 1.379(13) . ?
C8' H8' 0.9500 . ?
C9' C10' 1.379(13) . ?
C9' C12' 1.471(19) . ?
C10' C11' 1.379(13) . ?
C10' H10' 0.9500 . ?
C11' H11' 0.9500 . ?
C12' C13' 1.355(19) . ?
C12' H12' 0.9500 . ?
C13' C14 1.51(3) . ?
C13' H13' 0.9500 . ?
C14 C27 1.391(11) . ?
C14 C15 1.408(10) . ?
C15 C16 1.438(11) . ?
C15 C20 1.444(9) . ?
C16 C17 1.342(11) . ?
C16 H16 0.9500 . ?
C17 C18 1.421(11) . ?
C17 H17 0.9500 . ?
C18 C19 1.349(11) . ?
C18 H18 0.9500 . ?
C19 C20 1.432(10) . ?
C19 H19 0.9500 . ?
C20 C21 1.411(10) . ?
C21 C22 1.407(9) . ?
C21 C28 1.477(8) . ?
C22 C23 1.436(11) . ?
C22 C27 1.440(9) . ?
C23 C24 1.357(11) . ?
C23 H23 0.9500 . ?
C24 C25 1.401(12) . ?
C24 H24 0.9500 . ?
C25 C26 1.355(13) . ?
C25 H25 0.9500 . ?
C26 C27 1.443(10) . ?
C26 H26 0.9500 . ?
C28 C29 1.350(9) . ?
C28 H28 0.9500 . ?
C29 C32 1.455(9) . ?
C29 H29 0.9500 . ?
C30 C31 1.382(8) . ?
C30 H30 0.9500 . ?
C31 C32 1.392(9) . ?
C31 H31 0.9500 . ?
C32 C33 1.393(9) . ?
C33 C34 1.376(9) . ?
C33 H33 0.9500 . ?
C34 H34 0.9500 . ?
C35 C36 1.423(11) . ?
C35 C39 1.427(11) . ?
C35 C40 1.504(11) . ?
C36 C37 1.422(11) . ?
C36 C41 1.480(11) . ?
C37 C38 1.406(11) . ?
C37 C42 1.501(11) . ?
C38 C39 1.409(10) . ?
C38 C43 1.502(11) . ?
C39 C44 1.521(11) . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 C49 1.432(9) . ?
C45 C46 1.446(10) . ?
C45 C50 1.476(11) . ?
C46 C47 1.417(10) . ?
C46 C51 1.515(9) . ?
C47 C48 1.446(10) . ?
C47 C52 1.475(11) . ?
C48 C49 1.411(10) . ?
C48 C53 1.508(10) . ?
C49 C54 1.484(10) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?

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 C39 104.2(4) . . ?
N1 Rh1 O2 84.5(3) . . ?
C39 Rh1 O2 164.1(2) . . ?
N1 Rh1 O1 88.9(3) . . ?
C39 Rh1 O1 116.5(2) . . ?
O2 Rh1 O1 76.49(15) . . ?
N1 Rh1 C36 123.1(4) . . ?
C39 Rh1 C36 65.5(3) . . ?
O2 Rh1 C36 98.6(2) . . ?
O1 Rh1 C36 147.3(2) . . ?
N1 Rh1 C35 96.3(4) . . ?
C39 Rh1 C35 39.3(3) . . ?
O2 Rh1 C35 127.5(3) . . ?
O1 Rh1 C35 155.8(3) . . ?
C36 Rh1 C35 39.0(3) . . ?
N1 Rh1 C37 161.0(4) . . ?
C39 Rh1 C37 65.1(3) . . ?
O2 Rh1 C37 102.7(2) . . ?
O1 Rh1 C37 109.8(2) . . ?
C36 Rh1 C37 38.9(3) . . ?
C35 Rh1 C37 65.3(3) . . ?
N1 Rh1 C38 139.6(4) . . ?
C39 Rh1 C38 38.6(3) . . ?
O2 Rh1 C38 135.7(2) . . ?
O1 Rh1 C38 96.1(2) . . ?
C36 Rh1 C38 64.6(3) . . ?
C35 Rh1 C38 64.9(3) . . ?
C37 Rh1 C38 38.3(3) . . ?
C39 Rh1 N1' 98.1(7) . . ?
O2 Rh1 N1' 92.5(7) . . ?
O1 Rh1 N1' 83.0(7) . . ?
C36 Rh1 N1' 129.6(7) . . ?
C35 Rh1 N1' 97.7(8) . . ?
C37 Rh1 N1' 162.0(8) . . ?
C38 Rh1 N1' 130.5(7) . . ?
N2 Rh2 O3 85.72(17) 3_575 . ?
N2 Rh2 O4 84.41(18) 3_575 . ?
O3 Rh2 O4 76.50(15) . . ?
N2 Rh2 C46 97.2(2) 3_575 . ?
O3 Rh2 C46 161.1(2) . . ?
O4 Rh2 C46 122.3(2) . . ?
N2 Rh2 C48 162.1(2) 3_575 . ?
O3 Rh2 C48 109.2(2) . . ?
O4 Rh2 C48 108.2(2) . . ?
C46 Rh2 C48 65.4(2) . . ?
N2 Rh2 C49 131.6(3) 3_575 . ?
O3 Rh2 C49 98.7(2) . . ?
O4 Rh2 C49 143.6(2) . . ?
C46 Rh2 C49 65.5(2) . . ?
C48 Rh2 C49 38.6(3) . . ?
N2 Rh2 C47 127.9(2) 3_575 . ?
O3 Rh2 C47 145.7(2) . . ?
O4 Rh2 C47 97.9(2) . . ?
C46 Rh2 C47 38.8(3) . . ?
C48 Rh2 C47 39.6(3) . . ?
C49 Rh2 C47 65.7(3) . . ?
N2 Rh2 C45 98.6(2) 3_575 . ?
O3 Rh2 C45 121.6(2) . . ?
O4 Rh2 C45 161.7(2) . . ?
C46 Rh2 C45 39.5(3) . . ?
C48 Rh2 C45 65.4(3) . . ?
C49 Rh2 C45 39.0(3) . . ?
C47 Rh2 C45 65.9(3) . . ?
C30 N2 C34 118.9(5) . . ?
C30 N2 Rh2 120.8(4) . 3_575 ?
C34 N2 Rh2 119.7(4) . 3_575 ?
C1 O1 Rh1 116.0(4) . . ?
C2 O2 Rh1 115.0(4) . . ?
C4 O3 Rh2 114.8(4) . . ?
C5 O4 Rh2 114.9(4) . . ?
O6 S1 O5 116.7(4) . . ?
O6 S1 O7 113.4(4) . . ?
O5 S1 O7 114.2(4) . . ?
O6 S1 C55 103.3(5) . . ?
O5 S1 C55 103.2(4) . . ?
O7 S1 C55 103.8(5) . . ?
O1 C1 C6 123.6(6) . . ?
O1 C1 C2 115.9(5) . . ?
C6 C1 C2 120.6(5) . . ?
O2 C2 C3 122.5(5) . . ?
O2 C2 C1 116.6(5) . . ?
C3 C2 C1 120.8(5) . . ?
C2 C3 C4 119.4(6) . . ?
C2 C3 H3 120.3 . . ?
C4 C3 H3 120.3 . . ?
O3 C4 C3 124.4(6) . . ?
O3 C4 C5 116.3(5) . . ?
C3 C4 C5 119.3(5) . . ?
O4 C5 C6 125.2(5) . . ?
O4 C5 C4 114.4(5) . . ?
C6 C5 C4 120.3(5) . . ?
C5 C6 C1 119.4(6) . . ?
C5 C6 H6 120.3 . . ?
C1 C6 H6 120.3 . . ?
C11 N1 C7 117.5(9) . . ?
C11 N1 Rh1 122.0(7) . . ?
C7 N1 Rh1 120.2(8) . . ?
N1 C7 C8 123.5(10) . . ?
N1 C7 H7 118.3 . . ?
C8 C7 H7 118.3 . . ?
C7 C8 C9 119.8(9) . . ?
C7 C8 H8 120.1 . . ?
C9 C8 H8 120.1 . . ?
C8 C9 C10 116.2(9) . . ?
C8 C9 C12 124.8(10) . . ?
C10 C9 C12 118.9(10) . . ?
C11 C10 C9 120.6(9) . . ?
C11 C10 H10 119.7 . . ?
C9 C10 H10 119.7 . . ?
N1 C11 C10 122.4(9) . . ?
N1 C11 H11 118.8 . . ?
C10 C11 H11 118.8 . . ?
C13 C12 C9 123.3(10) . . ?
C13 C12 H12 118.4 . . ?
C9 C12 H12 118.4 . . ?
C12 C13 C14 124.5(11) . . ?
C12 C13 H13 117.7 . . ?
C14 C13 H13 117.7 . . ?
C11' N1' C7' 120.0 . . ?
C11' N1' Rh1 119.8(11) . . ?
C7' N1' Rh1 119.6(11) . . ?
C8' C7' N1' 120.0 . . ?
C8' C7' H7' 120.0 . . ?
N1' C7' H7' 120.0 . . ?
C7' C8' C9' 120.0 . . ?
C7' C8' H8' 120.0 . . ?
C9' C8' H8' 120.0 . . ?
C10' C9' C8' 120.0 . . ?
C10' C9' C12' 122(2) . . ?
C8' C9' C12' 118(2) . . ?
C9' C10' C11' 120.0 . . ?
C9' C10' H10' 120.0 . . ?
C11' C10' H10' 120.0 . . ?
C10' C11' N1' 120.0 . . ?
C10' C11' H11' 120.0 . . ?
N1' C11' H11' 120.0 . . ?
C13' C12' C9' 124(3) . . ?
C13' C12' H12' 118.2 . . ?
C9' C12' H12' 118.2 . . ?
C12' C13' C14 112(2) . . ?
C12' C13' H13' 124.2 . . ?
C14 C13' H13' 124.2 . . ?
C27 C14 C15 121.3(6) . . ?
C27 C14 C13' 107.8(12) . . ?
C15 C14 C13' 128.4(13) . . ?
C27 C14 C13 125.3(8) . . ?
C15 C14 C13 113.2(8) . . ?
C14 C15 C16 122.4(6) . . ?
C14 C15 C20 119.4(7) . . ?
C16 C15 C20 118.2(7) . . ?
C17 C16 C15 121.8(7) . . ?
C17 C16 H16 119.1 . . ?
C15 C16 H16 119.1 . . ?
C16 C17 C18 120.7(8) . . ?
C16 C17 H17 119.6 . . ?
C18 C17 H17 119.6 . . ?
C19 C18 C17 119.2(7) . . ?
C19 C18 H18 120.4 . . ?
C17 C18 H18 120.4 . . ?
C18 C19 C20 123.4(7) . . ?
C18 C19 H19 118.3 . . ?
C20 C19 H19 118.3 . . ?
C21 C20 C19 124.0(6) . . ?
C21 C20 C15 119.3(6) . . ?
C19 C20 C15 116.6(7) . . ?
C22 C21 C20 120.6(6) . . ?
C22 C21 C28 119.0(7) . . ?
C20 C21 C28 120.4(6) . . ?
C21 C22 C23 121.5(6) . . ?
C21 C22 C27 119.6(7) . . ?
C23 C22 C27 118.9(6) . . ?
C24 C23 C22 121.3(7) . . ?
C24 C23 H23 119.3 . . ?
C22 C23 H23 119.3 . . ?
C23 C24 C25 120.1(9) . . ?
C23 C24 H24 120.0 . . ?
C25 C24 H24 120.0 . . ?
C26 C25 C24 121.1(8) . . ?
C26 C25 H25 119.4 . . ?
C24 C25 H25 119.4 . . ?
C25 C26 C27 121.8(7) . . ?
C25 C26 H26 119.1 . . ?
C27 C26 H26 119.1 . . ?
C14 C27 C22 119.7(6) . . ?
C14 C27 C26 123.6(7) . . ?
C22 C27 C26 116.6(7) . . ?
C29 C28 C21 124.0(7) . . ?
C29 C28 H28 118.0 . . ?
C21 C28 H28 118.0 . . ?
C28 C29 C32 125.0(7) . . ?
C28 C29 H29 117.5 . . ?
C32 C29 H29 117.5 . . ?
N2 C30 C31 121.7(5) . . ?
N2 C30 H30 119.1 . . ?
C31 C30 H30 119.1 . . ?
C30 C31 C32 120.4(6) . . ?
C30 C31 H31 119.8 . . ?
C32 C31 H31 119.8 . . ?
C31 C32 C33 116.8(5) . . ?
C31 C32 C29 120.6(6) . . ?
C33 C32 C29 122.6(6) . . ?
C34 C33 C32 119.8(6) . . ?
C34 C33 H33 120.1 . . ?
C32 C33 H33 120.1 . . ?
N2 C34 C33 122.3(7) . . ?
N2 C34 H34 118.9 . . ?
C33 C34 H34 118.9 . . ?
C36 C35 C39 107.0(6) . . ?
C36 C35 C40 126.4(8) . . ?
C39 C35 C40 126.6(9) . . ?
C36 C35 Rh1 70.2(4) . . ?
C39 C35 Rh1 69.5(3) . . ?
C40 C35 Rh1 125.1(5) . . ?
C37 C36 C35 108.3(6) . . ?
C37 C36 C41 125.7(8) . . ?
C35 C36 C41 126.0(8) . . ?
C37 C36 Rh1 71.1(4) . . ?
C35 C36 Rh1 70.7(4) . . ?
C41 C36 Rh1 123.6(5) . . ?
C38 C37 C36 107.7(6) . . ?
C38 C37 C42 126.0(8) . . ?
C36 C37 C42 126.3(8) . . ?
C38 C37 Rh1 71.2(4) . . ?
C36 C37 Rh1 70.0(4) . . ?
C42 C37 Rh1 125.0(5) . . ?
C37 C38 C39 108.7(7) . . ?
C37 C38 C43 125.4(8) . . ?
C39 C38 C43 125.6(8) . . ?
C37 C38 Rh1 70.6(4) . . ?
C39 C38 Rh1 69.2(4) . . ?
C43 C38 Rh1 122.0(5) . . ?
C38 C39 C35 108.2(6) . . ?
C38 C39 C44 125.3(8) . . ?
C35 C39 C44 126.3(8) . . ?
C38 C39 Rh1 72.1(4) . . ?
C35 C39 Rh1 71.2(4) . . ?
C44 C39 Rh1 126.4(5) . . ?
C35 C40 H40A 109.5 . . ?
C35 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C35 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C36 C41 H41A 109.5 . . ?
C36 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C36 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C37 C42 H42A 109.5 . . ?
C37 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C37 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C38 C43 H43A 109.5 . . ?
C38 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C38 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C39 C44 H44A 109.5 . . ?
C39 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C39 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C49 C45 C46 106.5(6) . . ?
C49 C45 C50 126.8(7) . . ?
C46 C45 C50 126.6(7) . . ?
C49 C45 Rh2 69.9(3) . . ?
C46 C45 Rh2 69.4(3) . . ?
C50 C45 Rh2 127.4(5) . . ?
C47 C46 C45 109.1(6) . . ?
C47 C46 C51 125.9(7) . . ?
C45 C46 C51 125.0(7) . . ?
C47 C46 Rh2 70.9(3) . . ?
C45 C46 Rh2 71.1(3) . . ?
C51 C46 Rh2 125.8(4) . . ?
C46 C47 C48 107.0(6) . . ?
C46 C47 C52 125.7(7) . . ?
C48 C47 C52 127.3(7) . . ?
C46 C47 Rh2 70.3(3) . . ?
C48 C47 Rh2 70.0(3) . . ?
C52 C47 Rh2 123.2(4) . . ?
C49 C48 C47 108.4(6) . . ?
C49 C48 C53 126.1(7) . . ?
C47 C48 C53 125.5(8) . . ?
C49 C48 Rh2 70.9(3) . . ?
C47 C48 Rh2 70.4(3) . . ?
C53 C48 Rh2 126.5(5) . . ?
C48 C49 C45 109.0(6) . . ?
C48 C49 C54 128.0(7) . . ?
C45 C49 C54 123.0(7) . . ?
C48 C49 Rh2 70.5(3) . . ?
C45 C49 Rh2 71.1(3) . . ?
C54 C49 Rh2 124.8(5) . . ?
C45 C50 H50A 109.5 . . ?
C45 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C45 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C46 C51 H51A 109.5 . . ?
C46 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C46 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C47 C52 H52A 109.5 . . ?
C47 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C47 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C48 C53 H53A 109.5 . . ?
C48 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C48 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C49 C54 H54A 109.5 . . ?
C49 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C49 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
F2 C55 F3 106.7(10) . . ?
F2 C55 F1 107.1(10) . . ?
F3 C55 F1 107.0(10) . . ?
F2 C55 S1 112.4(8) . . ?
F3 C55 S1 111.0(8) . . ?
F1 C55 S1 112.2(8) . . ?

_refine_diff_density_max         1.982
_refine_diff_density_min         -0.554
_refine_diff_density_rms         0.112



