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

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# 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. 
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data_4b
_database_code_depnum_ccdc_archive 'CCDC 1536196'
_audit_update_record             
;
2017-03-06 deposited with the CCDC.
2017-03-29 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            4b
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C152 H182 Cl4 F24 N22 Ni2 O44 Rh8 S8'
_chemical_formula_weight         4816.17

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'
Ni Ni -3.0029 0.5091 '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'
Cl Cl 0.3639 0.7018 '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                   12.1474(5)
_cell_length_b                   18.7624(7)
_cell_length_c                   20.9552(8)
_cell_angle_alpha                90.1110(19)
_cell_angle_beta                 96.7631(18)
_cell_angle_gamma                93.5378(19)
_cell_volume                     4733.5(3)
_cell_formula_units_Z            1
_cell_measurement_temperature    170(2)
_cell_measurement_reflns_used    9805
_cell_measurement_theta_min      3.16
_cell_measurement_theta_max      66.74

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.690
_exptl_crystal_F_000             2428
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.150
_exptl_absorpt_coefficient_mu    7.934
_shelx_estimated_absorpt_T_min   0.300
_shelx_estimated_absorpt_T_max   0.382
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.456
_exptl_absorpt_correction_T_max  0.753
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      170(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            74890
_diffrn_reflns_av_unetI/netI     0.0631
_diffrn_reflns_av_R_equivalents  0.0814
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.359
_diffrn_reflns_theta_max         66.776
_diffrn_reflns_theta_full        66.776
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measured_fraction_theta_full 0.973
_diffrn_reflns_Laue_measured_fraction_max 0.973
_diffrn_reflns_Laue_measured_fraction_full 0.973
_diffrn_reflns_point_group_measured_fraction_max 0.973
_diffrn_reflns_point_group_measured_fraction_full 0.973
_reflns_number_total             16356
_reflns_number_gt                11482
_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          
; 
 Two of four triflate anions were disordered and they were 
 divided into two parts (66:34 and 46:54). O17-19, F7-9, 
 F11, F12 and C71 were refined isotropically and other non- hydrogen atoms were refined anisotropically. 14 ISOR and 19 
 DFIX instructions were used to restrain anions and Cp* 
 fragments so that there were 103 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)+(0.1212P)²+25.3938P] 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         16356
_refine_ls_number_parameters     1111
_refine_ls_number_restraints     103
_refine_ls_R_factor_all          0.1107
_refine_ls_R_factor_gt           0.0823
_refine_ls_wR_factor_ref         0.2331
_refine_ls_wR_factor_gt          0.2153
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_restrained_S_all      1.056
_refine_ls_shift/su_max          0.005
_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
1 0.057 0.229 0.792 279.8 64.0
2 -0.057 0.771 0.208 279.8 66.3
3 0.050 0.700 0.906 11.8 1.7
4 0.333 0.286 0.176 7.9 -0.8
5 0.467 0.781 0.870 6.7 -0.9
6 0.533 0.219 0.130 6.7 -0.6
7 0.667 0.713 0.824 7.9 -0.7
8 0.950 0.300 0.094 11.8 -0.2
_platon_squeeze_details          
; 
 In asymmetric unit of this data, there were disordered 
 solvents (one dichloromethane, one 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 0.25688(6) 0.55393(3) 0.42057(3) 0.03684(18) Uani 1 1 d . . . . .
Rh2 Rh 0.53309(6) 0.56878(3) 0.23078(3) 0.03915(19) Uani 1 1 d . . . . .
Rh3 Rh -0.09089(6) 1.13392(4) 0.25322(4) 0.0461(2) Uani 1 1 d . . . . .
Rh4 Rh 0.18880(7) 1.13387(4) 0.06583(3) 0.0508(2) Uani 1 1 d . . . . .
Ni1 Ni 0.41776(12) 1.00138(7) 0.56522(6) 0.0317(3) Uani 1 1 d . . . . .
N1 N 0.3143(6) 0.6641(3) 0.4251(3) 0.0372(16) Uani 1 1 d . . . . .
N2 N 0.4024(6) 0.9090(3) 0.5309(3) 0.0344(15) Uani 1 1 d . . . . .
H2 H 0.4351 0.8762 0.5549 0.041 Uiso 1 1 calc R U . . .
N3 N 0.2925(6) 0.9265(3) 0.4321(3) 0.0356(15) Uani 1 1 d . . . . .
N4 N 0.3261(6) 1.0322(4) 0.4950(3) 0.0355(16) Uani 1 1 d . . . . .
H4 H 0.3114 1.0775 0.4958 0.043 Uiso 1 1 calc R U . . .
N5 N 0.0511(6) 1.0898(4) 0.3035(3) 0.0355(15) Uani 1 1 d . . . . .
N6 N 0.4788(7) 1.3286(4) 0.7273(4) 0.0445(18) Uani 1 1 d . . . . .
N7 N 0.4294(5) 1.0933(3) 0.6001(3) 0.0319(15) Uani 1 1 d . . . . .
H7 H 0.3919 1.1254 0.5777 0.038 Uiso 1 1 calc R U . . .
N8 N 0.5497(6) 1.0776(4) 0.6961(3) 0.0395(17) Uani 1 1 d . . . . .
N9 N 0.5072(6) 0.9704(4) 0.6370(3) 0.0361(16) Uani 1 1 d . . . . .
H9 H 0.5194 0.9246 0.6375 0.043 Uiso 1 1 calc R U . . .
N10 N 0.7313(7) 0.9134(4) 0.8503(4) 0.0478(19) Uani 1 1 d . . . . .
O1 O 0.2498(5) 0.5598(3) 0.3185(3) 0.0428(14) Uani 1 1 d . . . . .
O2 O 0.4215(5) 0.5315(3) 0.4059(3) 0.0393(13) Uani 1 1 d . . . . .
O3 O 0.5330(5) 0.5334(3) 0.3291(3) 0.0402(14) Uani 1 1 d . . . . .
O4 O 0.3587(5) 0.5560(3) 0.2410(3) 0.0458(15) Uani 1 1 d . . . . .
O5 O -0.0601(5) 1.0728(3) 0.1716(3) 0.0457(15) Uani 1 1 d . . . . .
O6 O 0.0231(6) 1.2046(3) 0.2097(3) 0.0501(16) Uani 1 1 d . . . . .
O7 O 0.1320(6) 1.2058(3) 0.1325(3) 0.0549(17) Uani 1 1 d . . . . .
O8 O 0.0447(6) 1.0773(4) 0.0930(3) 0.0530(17) Uani 1 1 d . . . . .
O9 O 0.9010(6) 0.7658(4) 0.5395(4) 0.064(2) Uani 1 1 d . . . . .
O10 O 0.7356(6) 0.8122(3) 0.4828(3) 0.0541(17) Uani 1 1 d . . . . .
O11 O 0.8328(7) 0.7224(4) 0.4322(4) 0.067(2) Uani 1 1 d . . . . .
O12 O 0.5204(10) 0.2483(5) 0.2562(5) 0.104(4) Uani 1 1 d . . . . .
O13 O 0.6143(10) 0.3032(6) 0.3539(6) 0.122(4) Uani 1 1 d . . . . .
O14 O 0.5011(8) 0.1945(4) 0.3627(4) 0.079(3) Uani 1 1 d . . . . .
O15 O 0.860(3) 0.5688(16) 0.0873(12) 0.36(2) Uani 1 1 d D . . . .
O16 O 0.826(3) 0.5413(18) -0.0326(11) 0.346(16) Uani 1 1 d D U . . .
O17 O 0.669(2) 0.530(2) 0.0211(19) 0.38(2) Uiso 1 1 d D . . . .
O18 O 0.375(2) 0.8883(11) 0.0780(15) 0.305(15) Uiso 1 1 d D . . . .
O19 O 0.223(3) 0.823(2) 0.124(2) 0.49(3) Uiso 1 1 d D . . . .
O20 O 0.395(2) 0.7670(12) 0.1041(13) 0.341(17) Uani 1 1 d D U . . .
S1 S 0.8390(2) 0.77917(12) 0.47879(13) 0.0519(6) Uani 1 1 d . . . . .
S2 S 0.5280(3) 0.25722(16) 0.32608(19) 0.0807(10) Uani 1 1 d . . . . .
S3 S 0.7894(11) 0.5370(6) 0.0307(4) 0.212(4) Uani 1 1 d D U . . .
S4 S 0.3130(11) 0.8167(6) 0.0860(4) 0.228(4) Uani 1 1 d D . . . .
F1 F 0.8759(7) 0.8694(5) 0.3886(4) 0.104(3) Uani 1 1 d . . . . .
F2 F 0.9332(7) 0.9087(4) 0.4838(5) 0.097(3) Uani 1 1 d . . . . .
F3 F 1.0231(7) 0.8302(5) 0.4393(5) 0.111(3) Uani 1 1 d . . . . .
F4 F 0.4094(11) 0.3179(6) 0.3995(5) 0.153(5) Uani 1 1 d . . . . .
F5 F 0.4115(10) 0.3697(4) 0.3022(6) 0.140(4) Uani 1 1 d . . . . .
F6 F 0.3175(8) 0.2725(6) 0.3076(6) 0.130(4) Uani 1 1 d . . . . .
F7 F 0.929(2) 0.4394(19) 0.0568(16) 0.390(16) Uiso 1 1 d D . . . .
F8 F 0.774(3) 0.4224(19) 0.0925(17) 0.409(18) Uiso 1 1 d D . . . .
F9 F 0.790(4) 0.397(3) -0.0046(18) 0.62(3) Uiso 1 1 d D . . . .
F10 F 0.1700(18) 0.8192(11) -0.0273(10) 0.249(9) Uani 1 1 d D . . . .
F11 F 0.328(3) 0.7617(16) -0.0258(15) 0.346(14) Uiso 1 1 d D . . . .
F12 F 0.189(3) 0.7288(17) 0.0139(15) 0.349(14) Uiso 1 1 d D . . . .
C1 C 0.3422(8) 0.5523(4) 0.2983(4) 0.040(2) Uani 1 1 d . . . . .
C2 C 0.4414(7) 0.5379(4) 0.3480(4) 0.0343(18) Uani 1 1 d . . . . .
C3 C 0.0105(8) 1.1033(5) 0.1399(4) 0.042(2) Uani 1 1 d . . . . .
C4 C 0.0608(8) 1.1782(5) 0.1624(4) 0.040(2) Uani 1 1 d . . . . .
C5 C 0.3942(8) 0.6877(5) 0.4702(4) 0.043(2) Uani 1 1 d . . . . .
H5 H 0.4393 0.6540 0.4926 0.052 Uiso 1 1 calc R U . . .
C6 C 0.4147(7) 0.7596(5) 0.4861(5) 0.041(2) Uani 1 1 d . . . . .
H6 H 0.4758 0.7746 0.5166 0.050 Uiso 1 1 calc R U . . .
C7 C 0.3459(7) 0.8091(4) 0.4574(4) 0.0330(18) Uani 1 1 d . . . . .
C8 C 0.2662(8) 0.7845(4) 0.4073(4) 0.043(2) Uani 1 1 d . . . . .
H8A H 0.2219 0.8172 0.3830 0.052 Uiso 1 1 calc R U . . .
C9 C 0.2522(8) 0.7111(5) 0.3933(4) 0.046(2) Uani 1 1 d . . . . .
H9A H 0.1965 0.6946 0.3600 0.055 Uiso 1 1 calc R U . . .
C10 C 0.3498(7) 0.8868(4) 0.4761(4) 0.0330(18) Uani 1 1 d . . . . .
C11 C 0.2802(6) 0.9957(4) 0.4442(4) 0.0315(17) Uani 1 1 d . . . . .
C12 C 0.1283(7) 1.1310(5) 0.3390(4) 0.040(2) Uani 1 1 d . . . . .
H12 H 0.1283 1.1813 0.3338 0.048 Uiso 1 1 calc R U . . .
C13 C 0.2079(7) 1.1041(4) 0.3828(4) 0.0374(19) Uani 1 1 d . . . . .
H13 H 0.2638 1.1349 0.4058 0.045 Uiso 1 1 calc R U . . .
C14 C 0.2049(7) 1.0300(4) 0.3929(4) 0.0329(18) Uani 1 1 d . . . . .
C15 C 0.1281(8) 0.9877(5) 0.3534(4) 0.046(2) Uani 1 1 d . . . . .
H15 H 0.1271 0.9372 0.3564 0.055 Uiso 1 1 calc R U . . .
C16 C 0.0531(8) 1.0191(5) 0.3098(5) 0.048(2) Uani 1 1 d . . . . .
H16 H 0.0006 0.9894 0.2830 0.058 Uiso 1 1 calc R U . . .
C17 C 0.5585(9) 1.2872(5) 0.7484(5) 0.049(2) Uani 1 1 d . . . . .
H17 H 0.6144 1.3048 0.7812 0.059 Uiso 1 1 calc R U . . .
C18 C 0.5634(8) 1.2199(5) 0.7249(5) 0.047(2) Uani 1 1 d . . . . .
H18 H 0.6220 1.1915 0.7415 0.057 Uiso 1 1 calc R U . . .
C19 C 0.4837(7) 1.1922(4) 0.6768(4) 0.0355(19) Uani 1 1 d . . . . .
C20 C 0.4028(9) 1.2371(5) 0.6546(5) 0.050(2) Uani 1 1 d . . . . .
H20 H 0.3473 1.2217 0.6208 0.060 Uiso 1 1 calc R U . . .
C21 C 0.4018(9) 1.3036(5) 0.6808(5) 0.052(2) Uani 1 1 d . . . . .
H21 H 0.3439 1.3331 0.6653 0.062 Uiso 1 1 calc R U . . .
C22 C 0.4872(8) 1.1160(4) 0.6544(4) 0.038(2) Uani 1 1 d . . . . .
C23 C 0.5544(7) 1.0080(5) 0.6867(4) 0.0377(19) Uani 1 1 d . . . . .
C24 C 0.6617(11) 0.8742(6) 0.8100(5) 0.066(3) Uani 1 1 d . . . . .
H24 H 0.6508 0.8247 0.8182 0.079 Uiso 1 1 calc R U . . .
C25 C 0.6030(11) 0.9022(6) 0.7556(5) 0.067(3) Uani 1 1 d . . . . .
H25 H 0.5517 0.8725 0.7281 0.080 Uiso 1 1 calc R U . . .
C26 C 0.6205(7) 0.9737(5) 0.7422(4) 0.0386(19) Uani 1 1 d . . . . .
C27 C 0.6958(9) 1.0133(5) 0.7840(6) 0.060(3) Uani 1 1 d . . . . .
H27 H 0.7110 1.0626 0.7762 0.073 Uiso 1 1 calc R U . . .
C28 C 0.7487(11) 0.9820(6) 0.8366(6) 0.070(3) Uani 1 1 d . . . . .
H28 H 0.8006 1.0106 0.8648 0.083 Uiso 1 1 calc R U . . .
C29 C 0.2155(9) 0.5339(5) 0.5150(4) 0.050(2) Uani 1 1 d . . . . .
C30 C 0.1256(9) 0.5664(6) 0.4785(5) 0.053(3) Uani 1 1 d . . . . .
C31 C 0.0877(8) 0.5210(7) 0.4251(5) 0.057(3) Uani 1 1 d . . . . .
C32 C 0.1550(9) 0.4588(5) 0.4292(5) 0.050(2) Uani 1 1 d . . . . .
C33 C 0.2290(9) 0.4672(5) 0.4850(5) 0.051(2) Uani 1 1 d . . . . .
C34 C 0.2785(11) 0.5622(7) 0.5774(5) 0.069(3) Uani 1 1 d . . . . .
H34A H 0.2368 0.5483 0.6132 0.103 Uiso 1 1 calc R U . . .
H34B H 0.2878 0.6144 0.5757 0.103 Uiso 1 1 calc R U . . .
H34C H 0.3516 0.5422 0.5838 0.103 Uiso 1 1 calc R U . . .
C35 C 0.0821(12) 0.6351(7) 0.4944(7) 0.086(4) Uani 1 1 d . . . . .
H35A H 0.0401 0.6540 0.4560 0.129 Uiso 1 1 calc R U . . .
H35B H 0.1441 0.6691 0.5097 0.129 Uiso 1 1 calc R U . . .
H35C H 0.0331 0.6278 0.5281 0.129 Uiso 1 1 calc R U . . .
C36 C -0.0059(10) 0.5347(9) 0.3727(6) 0.085(4) Uani 1 1 d . . . . .
H36A H -0.0758 0.5127 0.3844 0.127 Uiso 1 1 calc R U . . .
H36B H 0.0101 0.5139 0.3320 0.127 Uiso 1 1 calc R U . . .
H36C H -0.0121 0.5863 0.3677 0.127 Uiso 1 1 calc R U . . .
C37 C 0.1424(12) 0.3957(6) 0.3836(6) 0.074(4) Uani 1 1 d . . . . .
H37A H 0.2156 0.3842 0.3727 0.111 Uiso 1 1 calc R U . . .
H37B H 0.0950 0.4074 0.3444 0.111 Uiso 1 1 calc R U . . .
H37C H 0.1082 0.3544 0.4041 0.111 Uiso 1 1 calc R U . . .
C38 C 0.3160(10) 0.4170(6) 0.5087(6) 0.064(3) Uani 1 1 d . . . . .
H38A H 0.2858 0.3830 0.5385 0.096 Uiso 1 1 calc R U . . .
H38B H 0.3808 0.4443 0.5309 0.096 Uiso 1 1 calc R U . . .
H38C H 0.3383 0.3911 0.4722 0.096 Uiso 1 1 calc R U . . .
C39 C 0.5370(10) 0.5643(7) 0.1305(5) 0.060(3) Uani 1 1 d . . . . .
C40 C 0.6303(10) 0.6050(6) 0.1577(5) 0.059(3) Uani 1 1 d . . . . .
C41 C 0.6936(9) 0.5634(7) 0.2021(5) 0.061(3) Uani 1 1 d . . . . .
C42 C 0.6382(12) 0.4937(6) 0.1993(5) 0.068(3) Uani 1 1 d . . . . .
C43 C 0.5463(12) 0.4932(7) 0.1551(6) 0.072(4) Uani 1 1 d . . . . .
C44 C 0.4471(14) 0.5872(12) 0.0811(6) 0.124(7) Uani 1 1 d . . . . .
H44A H 0.4324 0.6370 0.0893 0.186 Uiso 1 1 calc R U . . .
H44B H 0.3793 0.5567 0.0836 0.186 Uiso 1 1 calc R U . . .
H44C H 0.4706 0.5829 0.0382 0.186 Uiso 1 1 calc R U . . .
C45 C 0.6579(17) 0.6822(8) 0.1441(9) 0.121(7) Uani 1 1 d . . . . .
H45A H 0.6950 0.6859 0.1051 0.182 Uiso 1 1 calc R U . . .
H45B H 0.7074 0.7035 0.1804 0.182 Uiso 1 1 calc R U . . .
H45C H 0.5894 0.7076 0.1381 0.182 Uiso 1 1 calc R U . . .
C46 C 0.8022(11) 0.5855(12) 0.2417(8) 0.118(6) Uani 1 1 d . U . . .
H46A H 0.8091 0.5580 0.2816 0.177 Uiso 1 1 calc R U . . .
H46B H 0.8042 0.6365 0.2521 0.177 Uiso 1 1 calc R U . . .
H46C H 0.8639 0.5762 0.2173 0.177 Uiso 1 1 calc R U . . .
C47 C 0.6800(17) 0.4323(9) 0.2383(8) 0.120(7) Uani 1 1 d . U . . .
H47A H 0.6517 0.4328 0.2802 0.180 Uiso 1 1 calc R U . . .
H47B H 0.7614 0.4363 0.2445 0.180 Uiso 1 1 calc R U . . .
H47C H 0.6544 0.3874 0.2157 0.180 Uiso 1 1 calc R U . . .
C48 C 0.4625(18) 0.4309(11) 0.1360(10) 0.157(9) Uani 1 1 d . U . . .
H48A H 0.4715 0.4144 0.0926 0.236 Uiso 1 1 calc R U . . .
H48B H 0.3871 0.4464 0.1367 0.236 Uiso 1 1 calc R U . . .
H48C H 0.4751 0.3918 0.1664 0.236 Uiso 1 1 calc R U . . .
C49 C -0.2329(9) 1.0858(7) 0.2872(6) 0.065(3) Uani 1 1 d . . . . .
C50 C -0.1784(10) 1.1382(10) 0.3343(6) 0.082(4) Uani 1 1 d . . . . .
C51 C -0.1748(9) 1.2061(8) 0.3056(7) 0.073(4) Uani 1 1 d . . . . .
C52 C -0.2291(10) 1.1977(7) 0.2420(7) 0.073(4) Uani 1 1 d . . . . .
C53 C -0.2669(8) 1.1256(7) 0.2316(5) 0.061(3) Uani 1 1 d . . . . .
C54 C -0.2564(12) 1.0072(10) 0.2926(8) 0.106(6) Uani 1 1 d . . . . .
H54A H -0.3365 0.9967 0.2925 0.159 Uiso 1 1 calc R U . . .
H54B H -0.2171 0.9904 0.3328 0.159 Uiso 1 1 calc R U . . .
H54C H -0.2310 0.9828 0.2562 0.159 Uiso 1 1 calc R U . . .
C55 C -0.1356(12) 1.1162(12) 0.4032(7) 0.125(7) Uani 1 1 d . U . . .
H55A H -0.0596 1.1368 0.4146 0.188 Uiso 1 1 calc R U . . .
H55B H -0.1361 1.0640 0.4055 0.188 Uiso 1 1 calc R U . . .
H55C H -0.1838 1.1339 0.4333 0.188 Uiso 1 1 calc R U . . .
C56 C -0.1260(12) 1.2724(9) 0.3354(8) 0.105(6) Uani 1 1 d . U . . .
H56A H -0.1842 1.3057 0.3383 0.157 Uiso 1 1 calc R U . . .
H56B H -0.0706 1.2935 0.3094 0.157 Uiso 1 1 calc R U . . .
H56C H -0.0901 1.2627 0.3786 0.157 Uiso 1 1 calc R U . . .
C57 C -0.2431(14) 1.2586(9) 0.1934(9) 0.119(6) Uani 1 1 d . U . . .
H57A H -0.2432 1.2396 0.1498 0.178 Uiso 1 1 calc R U . . .
H57B H -0.1816 1.2948 0.2026 0.178 Uiso 1 1 calc R U . . .
H57C H -0.3136 1.2802 0.1969 0.178 Uiso 1 1 calc R U . . .
C58 C -0.3293(10) 1.0955(9) 0.1706(6) 0.086(4) Uani 1 1 d . . . . .
H58A H -0.4077 1.0861 0.1765 0.129 Uiso 1 1 calc R U . . .
H58B H -0.2979 1.0508 0.1596 0.129 Uiso 1 1 calc R U . . .
H58C H -0.3231 1.1298 0.1358 0.129 Uiso 1 1 calc R U . . .
C59 C 0.2334(10) 1.0833(7) -0.0171(5) 0.064(3) Uani 1 1 d . . . . .
C60 C 0.1460(11) 1.1271(7) -0.0365(5) 0.067(3) Uani 1 1 d . . . . .
C61 C 0.1744(12) 1.1981(7) -0.0191(6) 0.077(4) Uani 1 1 d . . . . .
C62 C 0.2907(12) 1.2024(9) 0.0130(6) 0.082(4) Uani 1 1 d . . . . .
C63 C 0.3255(10) 1.1305(9) 0.0108(5) 0.077(4) Uani 1 1 d . . . . .
C64 C 0.2331(14) 1.0051(9) -0.0288(7) 0.099(5) Uani 1 1 d . . . . .
H64A H 0.1567 0.9857 -0.0407 0.149 Uiso 1 1 calc R U . . .
H64B H 0.2649 0.9818 0.0104 0.149 Uiso 1 1 calc R U . . .
H64C H 0.2776 0.9961 -0.0637 0.149 Uiso 1 1 calc R U . . .
C65 C 0.0334(12) 1.0990(9) -0.0674(7) 0.092(5) Uani 1 1 d . . . . .
H65A H 0.0330 1.0977 -0.1142 0.138 Uiso 1 1 calc R U . . .
H65B H -0.0232 1.1303 -0.0562 0.138 Uiso 1 1 calc R U . . .
H65C H 0.0171 1.0507 -0.0519 0.138 Uiso 1 1 calc R U . . .
C66 C 0.1029(17) 1.2604(9) -0.0271(8) 0.116(6) Uani 1 1 d . U . . .
H66A H 0.1156 1.2854 -0.0669 0.174 Uiso 1 1 calc R U . . .
H66B H 0.1218 1.2932 0.0096 0.174 Uiso 1 1 calc R U . . .
H66C H 0.0246 1.2434 -0.0293 0.174 Uiso 1 1 calc R U . . .
C67 C 0.3563(16) 1.2656(10) 0.0394(7) 0.128(7) Uani 1 1 d . U . . .
H67A H 0.3688 1.2622 0.0863 0.192 Uiso 1 1 calc R U . . .
H67B H 0.3163 1.3083 0.0275 0.192 Uiso 1 1 calc R U . . .
H67C H 0.4280 1.2689 0.0221 0.192 Uiso 1 1 calc R U . . .
C68 C 0.4381(13) 1.1059(12) 0.0366(8) 0.127(7) Uani 1 1 d . U . . .
H68A H 0.4829 1.1008 0.0011 0.190 Uiso 1 1 calc R U . . .
H68B H 0.4289 1.0598 0.0579 0.190 Uiso 1 1 calc R U . . .
H68C H 0.4757 1.1412 0.0677 0.190 Uiso 1 1 calc R U . . .
C69 C 0.9234(11) 0.8504(7) 0.4466(7) 0.076(4) Uani 1 1 d . . . . .
C70 C 0.424(2) 0.2994(11) 0.3383(10) 0.139(7) Uani 1 1 d . U . . .
C71 C 0.821(3) 0.4451(12) 0.0417(19) 0.37(3) Uiso 1 1 d D . . . .
C72 C 0.252(2) 0.7908(16) 0.0075(14) 0.190(12) Uani 1 1 d D U . . .
C73 C 0.047(2) 0.4044(11) 0.2018(10) 0.119(6) Uani 1 1 d . . . . .
C74 C 0.149(2) 0.3899(13) 0.1709(13) 0.193(13) Uani 1 1 d . . . . .
H74A H 0.1650 0.4286 0.1413 0.290 Uiso 1 1 calc R U . . .
H74B H 0.1371 0.3446 0.1470 0.290 Uiso 1 1 calc R U . . .
H74C H 0.2128 0.3871 0.2042 0.290 Uiso 1 1 calc R U . . .
N11 N -0.0293(18) 0.4180(14) 0.2248(11) 0.176(9) 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 C31 2.122(10) . ?
Rh1 O2 2.126(6) . ?
Rh1 C29 2.127(9) . ?
Rh1 C32 2.129(9) . ?
Rh1 O1 2.134(6) . ?
Rh1 C30 2.138(10) . ?
Rh1 N1 2.139(7) . ?
Rh1 C33 2.154(10) . ?
Rh2 C39 2.110(9) . ?
Rh2 C42 2.113(11) . ?
Rh2 C41 2.114(10) . ?
Rh2 C40 2.130(11) . ?
Rh2 N6 2.135(7) 2_676 ?
Rh2 C43 2.151(10) . ?
Rh2 O4 2.153(7) . ?
Rh2 O3 2.167(6) . ?
Rh3 C49 2.097(11) . ?
Rh3 C50 2.113(12) . ?
Rh3 C52 2.113(11) . ?
Rh3 C51 2.124(9) . ?
Rh3 N5 2.126(7) . ?
Rh3 C53 2.129(10) . ?
Rh3 O5 2.140(6) . ?
Rh3 O6 2.141(7) . ?
Rh4 C59 2.120(11) . ?
Rh4 N10 2.127(8) 2_676 ?
Rh4 O8 2.127(7) . ?
Rh4 C62 2.132(12) . ?
Rh4 C63 2.134(12) . ?
Rh4 O7 2.141(7) . ?
Rh4 C60 2.147(11) . ?
Rh4 C61 2.148(12) . ?
Ni1 N4 1.853(7) . ?
Ni1 N7 1.862(6) . ?
Ni1 N9 1.865(7) . ?
Ni1 N2 1.865(6) . ?
N1 C9 1.326(11) . ?
N1 C5 1.327(11) . ?
N2 C10 1.302(10) . ?
N3 C11 1.342(10) . ?
N3 C10 1.343(11) . ?
N4 C11 1.313(10) . ?
N5 C12 1.332(11) . ?
N5 C16 1.335(11) . ?
N6 C17 1.316(12) . ?
N6 C21 1.332(12) . ?
N6 Rh2 2.135(7) 2_676 ?
N7 C22 1.321(11) . ?
N8 C23 1.326(11) . ?
N8 C22 1.332(11) . ?
N9 C23 1.311(11) . ?
N10 C24 1.312(13) . ?
N10 C28 1.331(13) . ?
N10 Rh4 2.127(8) 2_676 ?
O1 C1 1.262(11) . ?
O2 C2 1.270(10) . ?
O3 C2 1.232(10) . ?
O4 C1 1.240(10) . ?
O5 C3 1.257(11) . ?
O6 C4 1.254(11) . ?
O7 C4 1.216(11) . ?
O8 C3 1.222(11) . ?
O9 S1 1.431(7) . ?
O10 S1 1.445(7) . ?
O11 S1 1.435(7) . ?
O12 S2 1.465(10) . ?
O13 S2 1.388(10) . ?
O14 S2 1.449(8) . ?
O15 S3 1.479(16) . ?
O16 S3 1.447(16) . ?
O17 S3 1.453(18) . ?
O18 S4 1.518(16) . ?
O19 S4 1.433(17) . ?
O20 S4 1.423(14) . ?
S1 C69 1.814(14) . ?
S2 C70 1.58(2) . ?
S3 C71 1.797(18) . ?
S4 C72 1.78(3) . ?
F1 C69 1.341(15) . ?
F2 C69 1.332(15) . ?
F3 C69 1.317(15) . ?
F4 C70 1.361(19) . ?
F5 C70 1.53(2) . ?
F6 C70 1.43(2) . ?
F7 C71 1.332(19) . ?
F8 C71 1.320(19) . ?
F9 C71 1.325(19) . ?
F10 C72 1.307(18) . ?
F11 C72 1.355(18) . ?
F12 C72 1.371(18) . ?
C1 C2 1.535(12) . ?
C3 C4 1.547(13) . ?
C5 C6 1.390(12) . ?
C6 C7 1.378(12) . ?
C7 C8 1.398(12) . ?
C7 C10 1.506(11) . ?
C8 C9 1.403(12) . ?
C11 C14 1.500(11) . ?
C12 C13 1.372(12) . ?
C13 C14 1.406(11) . ?
C14 C15 1.382(12) . ?
C15 C16 1.373(13) . ?
C17 C18 1.363(12) . ?
C18 C19 1.388(12) . ?
C19 C20 1.374(13) . ?
C19 C22 1.508(11) . ?
C20 C21 1.363(13) . ?
C23 C26 1.504(12) . ?
C24 C25 1.393(15) . ?
C25 C26 1.379(13) . ?
C26 C27 1.371(13) . ?
C27 C28 1.361(15) . ?
C29 C33 1.426(14) . ?
C29 C30 1.427(15) . ?
C29 C34 1.513(14) . ?
C30 C31 1.420(15) . ?
C30 C35 1.475(15) . ?
C31 C32 1.464(15) . ?
C31 C36 1.519(15) . ?
C32 C33 1.392(14) . ?
C32 C37 1.508(14) . ?
C33 C38 1.499(14) . ?
C39 C40 1.390(16) . ?
C39 C43 1.437(17) . ?
C39 C44 1.497(17) . ?
C40 C41 1.405(16) . ?
C40 C45 1.502(18) . ?
C41 C42 1.431(17) . ?
C41 C46 1.509(17) . ?
C42 C43 1.364(18) . ?
C42 C47 1.494(17) . ?
C43 C48 1.523(19) . ?
C49 C53 1.419(16) . ?
C49 C50 1.463(18) . ?
C49 C54 1.49(2) . ?
C50 C51 1.41(2) . ?
C50 C55 1.541(19) . ?
C51 C52 1.421(17) . ?
C51 C56 1.451(18) . ?
C52 C53 1.410(18) . ?
C52 C57 1.53(2) . ?
C53 C58 1.498(16) . ?
C59 C60 1.405(17) . ?
C59 C63 1.449(18) . ?
C59 C64 1.487(19) . ?
C60 C61 1.392(17) . ?
C60 C65 1.507(17) . ?
C61 C62 1.490(19) . ?
C61 C66 1.50(2) . ?
C62 C63 1.44(2) . ?
C62 C67 1.458(19) . ?
C63 C68 1.51(2) . ?
C73 N11 1.14(3) . ?
C73 C74 1.51(3) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C31 Rh1 O2 151.2(4) . . ?
C31 Rh1 C29 65.5(4) . . ?
O2 Rh1 C29 114.9(3) . . ?
C31 Rh1 C32 40.3(4) . . ?
O2 Rh1 C32 111.8(3) . . ?
C29 Rh1 C32 65.6(4) . . ?
C31 Rh1 O1 97.6(3) . . ?
O2 Rh1 O1 78.3(2) . . ?
C29 Rh1 O1 162.9(3) . . ?
C32 Rh1 O1 100.1(3) . . ?
C31 Rh1 C30 38.9(4) . . ?
O2 Rh1 C30 153.6(3) . . ?
C29 Rh1 C30 39.1(4) . . ?
C32 Rh1 C30 66.3(4) . . ?
O1 Rh1 C30 128.0(4) . . ?
C31 Rh1 N1 121.9(4) . . ?
O2 Rh1 N1 86.7(2) . . ?
C29 Rh1 N1 103.0(3) . . ?
C32 Rh1 N1 160.9(3) . . ?
O1 Rh1 N1 88.0(3) . . ?
C30 Rh1 N1 95.1(3) . . ?
C31 Rh1 C33 64.9(4) . . ?
O2 Rh1 C33 96.8(3) . . ?
C29 Rh1 C33 38.9(4) . . ?
C32 Rh1 C33 37.9(4) . . ?
O1 Rh1 C33 132.9(3) . . ?
C30 Rh1 C33 65.0(4) . . ?
N1 Rh1 C33 138.9(3) . . ?
C39 Rh2 C42 64.9(5) . . ?
C39 Rh2 C41 65.3(4) . . ?
C42 Rh2 C41 39.6(5) . . ?
C39 Rh2 C40 38.3(4) . . ?
C42 Rh2 C40 64.6(4) . . ?
C41 Rh2 C40 38.7(4) . . ?
C39 Rh2 N6 117.1(4) . 2_676 ?
C42 Rh2 N6 146.9(5) . 2_676 ?
C41 Rh2 N6 108.7(4) . 2_676 ?
C40 Rh2 N6 96.2(4) . 2_676 ?
C39 Rh2 C43 39.4(5) . . ?
C42 Rh2 C43 37.3(5) . . ?
C41 Rh2 C43 64.6(5) . . ?
C40 Rh2 C43 64.1(5) . . ?
N6 Rh2 C43 156.5(4) 2_676 . ?
C39 Rh2 O4 103.6(4) . . ?
C42 Rh2 O4 129.1(4) . . ?
C41 Rh2 O4 166.0(4) . . ?
C40 Rh2 O4 136.1(4) . . ?
N6 Rh2 O4 83.7(3) 2_676 . ?
C43 Rh2 O4 101.5(4) . . ?
C39 Rh2 O3 159.8(4) . . ?
C42 Rh2 O3 98.5(3) . . ?
C41 Rh2 O3 110.0(4) . . ?
C40 Rh2 O3 146.6(4) . . ?
N6 Rh2 O3 83.1(3) 2_676 . ?
C43 Rh2 O3 120.4(4) . . ?
O4 Rh2 O3 77.2(2) . . ?
C49 Rh3 C50 40.7(5) . . ?
C49 Rh3 C52 66.4(5) . . ?
C50 Rh3 C52 65.2(6) . . ?
C49 Rh3 C51 67.3(5) . . ?
C50 Rh3 C51 38.9(6) . . ?
C52 Rh3 C51 39.2(5) . . ?
C49 Rh3 N5 108.3(4) . . ?
C50 Rh3 N5 94.9(4) . . ?
C52 Rh3 N5 155.7(4) . . ?
C51 Rh3 N5 116.5(4) . . ?
C49 Rh3 C53 39.2(5) . . ?
C50 Rh3 C53 65.5(4) . . ?
C52 Rh3 C53 38.8(5) . . ?
C51 Rh3 C53 65.6(4) . . ?
N5 Rh3 C53 146.5(4) . . ?
C49 Rh3 O5 107.0(4) . . ?
C50 Rh3 O5 146.3(5) . . ?
C52 Rh3 O5 117.2(4) . . ?
C51 Rh3 O5 156.4(4) . . ?
N5 Rh3 O5 87.1(3) . . ?
C53 Rh3 O5 95.1(3) . . ?
C49 Rh3 O6 164.3(4) . . ?
C50 Rh3 O6 135.6(5) . . ?
C52 Rh3 O6 97.9(4) . . ?
C51 Rh3 O6 101.9(5) . . ?
N5 Rh3 O6 86.6(3) . . ?
C53 Rh3 O6 126.6(4) . . ?
O5 Rh3 O6 78.1(2) . . ?
C59 Rh4 N10 109.6(4) . 2_676 ?
C59 Rh4 O8 108.0(4) . . ?
N10 Rh4 O8 83.5(3) 2_676 . ?
C59 Rh4 C62 67.5(5) . . ?
N10 Rh4 C62 116.6(5) 2_676 . ?
O8 Rh4 C62 159.9(5) . . ?
C59 Rh4 C63 39.8(5) . . ?
N10 Rh4 C63 96.0(4) 2_676 . ?
O8 Rh4 C63 145.6(5) . . ?
C62 Rh4 C63 39.5(6) . . ?
C59 Rh4 O7 165.4(4) . . ?
N10 Rh4 O7 84.3(3) 2_676 . ?
O8 Rh4 O7 77.2(3) . . ?
C62 Rh4 O7 102.8(5) . . ?
C63 Rh4 O7 137.1(5) . . ?
C59 Rh4 C60 38.4(5) . . ?
N10 Rh4 C60 147.0(4) 2_676 . ?
O8 Rh4 C60 98.0(4) . . ?
C62 Rh4 C60 65.9(5) . . ?
C63 Rh4 C60 64.4(5) . . ?
O7 Rh4 C60 128.4(4) . . ?
C59 Rh4 C61 65.6(5) . . ?
N10 Rh4 C61 157.3(4) 2_676 . ?
O8 Rh4 C61 119.2(4) . . ?
C62 Rh4 C61 40.7(5) . . ?
C63 Rh4 C61 65.7(6) . . ?
O7 Rh4 C61 99.9(4) . . ?
C60 Rh4 C61 37.8(5) . . ?
N4 Ni1 N7 90.0(3) . . ?
N4 Ni1 N9 178.7(3) . . ?
N7 Ni1 N9 89.7(3) . . ?
N4 Ni1 N2 89.6(3) . . ?
N7 Ni1 N2 178.5(3) . . ?
N9 Ni1 N2 90.6(3) . . ?
C9 N1 C5 118.7(8) . . ?
C9 N1 Rh1 118.6(6) . . ?
C5 N1 Rh1 120.6(6) . . ?
C10 N2 Ni1 128.5(6) . . ?
C11 N3 C10 120.2(7) . . ?
C11 N4 Ni1 128.9(6) . . ?
C12 N5 C16 118.3(8) . . ?
C12 N5 Rh3 121.1(6) . . ?
C16 N5 Rh3 119.4(6) . . ?
C17 N6 C21 118.3(8) . . ?
C17 N6 Rh2 121.3(6) . 2_676 ?
C21 N6 Rh2 120.3(6) . 2_676 ?
C22 N7 Ni1 127.7(6) . . ?
C23 N8 C22 120.2(7) . . ?
C23 N9 Ni1 128.3(6) . . ?
C24 N10 C28 117.7(9) . . ?
C24 N10 Rh4 119.8(7) . 2_676 ?
C28 N10 Rh4 122.6(7) . 2_676 ?
C1 O1 Rh1 113.3(6) . . ?
C2 O2 Rh1 113.8(5) . . ?
C2 O3 Rh2 111.7(5) . . ?
C1 O4 Rh2 111.8(6) . . ?
C3 O5 Rh3 113.0(6) . . ?
C4 O6 Rh3 114.2(6) . . ?
C4 O7 Rh4 112.9(6) . . ?
C3 O8 Rh4 113.2(6) . . ?
O9 S1 O11 115.4(5) . . ?
O9 S1 O10 114.8(5) . . ?
O11 S1 O10 114.7(4) . . ?
O9 S1 C69 102.6(6) . . ?
O11 S1 C69 104.6(6) . . ?
O10 S1 C69 102.3(5) . . ?
O13 S2 O14 116.3(7) . . ?
O13 S2 O12 116.0(8) . . ?
O14 S2 O12 116.9(5) . . ?
O13 S2 C70 101.2(9) . . ?
O14 S2 C70 96.8(9) . . ?
O12 S2 C70 105.3(10) . . ?
O16 S3 O17 107(2) . . ?
O16 S3 O15 121(2) . . ?
O17 S3 O15 126(2) . . ?
O16 S3 C71 94.2(19) . . ?
O17 S3 C71 101(2) . . ?
O15 S3 C71 99.2(19) . . ?
O20 S4 O19 119.6(18) . . ?
O20 S4 O18 106.9(16) . . ?
O19 S4 O18 111.6(18) . . ?
O20 S4 C72 105.8(16) . . ?
O19 S4 C72 107(3) . . ?
O18 S4 C72 105.3(17) . . ?
O4 C1 O1 124.6(9) . . ?
O4 C1 C2 117.7(8) . . ?
O1 C1 C2 117.7(8) . . ?
O3 C2 O2 125.2(8) . . ?
O3 C2 C1 118.3(7) . . ?
O2 C2 C1 116.6(8) . . ?
O8 C3 O5 124.6(9) . . ?
O8 C3 C4 117.1(8) . . ?
O5 C3 C4 118.3(8) . . ?
O7 C4 O6 126.4(9) . . ?
O7 C4 C3 117.4(8) . . ?
O6 C4 C3 116.2(8) . . ?
N1 C5 C6 122.7(8) . . ?
C7 C6 C5 119.8(8) . . ?
C6 C7 C8 117.0(8) . . ?
C6 C7 C10 125.1(8) . . ?
C8 C7 C10 117.9(7) . . ?
C7 C8 C9 119.3(8) . . ?
N1 C9 C8 122.1(9) . . ?
N2 C10 N3 126.5(7) . . ?
N2 C10 C7 120.4(7) . . ?
N3 C10 C7 113.1(7) . . ?
N4 C11 N3 126.0(8) . . ?
N4 C11 C14 120.9(7) . . ?
N3 C11 C14 113.1(7) . . ?
N5 C12 C13 123.1(8) . . ?
C12 C13 C14 118.7(8) . . ?
C15 C14 C13 117.5(8) . . ?
C15 C14 C11 119.4(7) . . ?
C13 C14 C11 123.1(7) . . ?
C16 C15 C14 119.7(8) . . ?
N5 C16 C15 122.5(9) . . ?
N6 C17 C18 122.0(9) . . ?
C17 C18 C19 120.9(9) . . ?
C20 C19 C18 115.9(8) . . ?
C20 C19 C22 124.3(8) . . ?
C18 C19 C22 119.8(8) . . ?
C21 C20 C19 120.4(9) . . ?
N6 C21 C20 122.5(9) . . ?
N7 C22 N8 127.1(8) . . ?
N7 C22 C19 120.7(8) . . ?
N8 C22 C19 112.2(7) . . ?
N9 C23 N8 126.9(8) . . ?
N9 C23 C26 121.4(8) . . ?
N8 C23 C26 111.7(7) . . ?
N10 C24 C25 122.9(10) . . ?
C26 C25 C24 119.0(10) . . ?
C27 C26 C25 117.3(9) . . ?
C27 C26 C23 121.1(8) . . ?
C25 C26 C23 121.5(9) . . ?
C28 C27 C26 120.1(10) . . ?
N10 C28 C27 123.1(10) . . ?
C33 C29 C30 107.7(9) . . ?
C33 C29 C34 126.1(10) . . ?
C30 C29 C34 126.0(10) . . ?
C33 C29 Rh1 71.5(5) . . ?
C30 C29 Rh1 70.9(5) . . ?
C34 C29 Rh1 127.0(7) . . ?
C31 C30 C29 107.7(9) . . ?
C31 C30 C35 127.2(11) . . ?
C29 C30 C35 125.2(11) . . ?
C31 C30 Rh1 69.9(6) . . ?
C29 C30 Rh1 70.0(5) . . ?
C35 C30 Rh1 125.2(8) . . ?
C30 C31 C32 108.0(9) . . ?
C30 C31 C36 126.2(12) . . ?
C32 C31 C36 125.9(11) . . ?
C30 C31 Rh1 71.1(6) . . ?
C32 C31 Rh1 70.1(5) . . ?
C36 C31 Rh1 124.1(7) . . ?
C33 C32 C31 106.8(9) . . ?
C33 C32 C37 126.5(10) . . ?
C31 C32 C37 126.6(10) . . ?
C33 C32 Rh1 72.0(5) . . ?
C31 C32 Rh1 69.6(5) . . ?
C37 C32 Rh1 125.9(7) . . ?
C32 C33 C29 109.7(10) . . ?
C32 C33 C38 126.0(10) . . ?
C29 C33 C38 124.1(10) . . ?
C32 C33 Rh1 70.1(6) . . ?
C29 C33 Rh1 69.5(5) . . ?
C38 C33 Rh1 123.6(7) . . ?
C40 C39 C43 107.0(11) . . ?
C40 C39 C44 127.5(14) . . ?
C43 C39 C44 125.4(14) . . ?
C40 C39 Rh2 71.7(6) . . ?
C43 C39 Rh2 71.8(6) . . ?
C44 C39 Rh2 125.1(8) . . ?
C39 C40 C41 109.4(11) . . ?
C39 C40 C45 125.8(13) . . ?
C41 C40 C45 124.8(13) . . ?
C39 C40 Rh2 70.1(6) . . ?
C41 C40 Rh2 70.1(6) . . ?
C45 C40 Rh2 124.3(9) . . ?
C40 C41 C42 106.2(10) . . ?
C40 C41 C46 127.4(14) . . ?
C42 C41 C46 126.3(13) . . ?
C40 C41 Rh2 71.3(6) . . ?
C42 C41 Rh2 70.2(6) . . ?
C46 C41 Rh2 126.4(9) . . ?
C43 C42 C41 109.2(10) . . ?
C43 C42 C47 127.2(15) . . ?
C41 C42 C47 123.6(14) . . ?
C43 C42 Rh2 72.9(7) . . ?
C41 C42 Rh2 70.3(6) . . ?
C47 C42 Rh2 124.5(8) . . ?
C42 C43 C39 108.0(11) . . ?
C42 C43 C48 127.7(16) . . ?
C39 C43 C48 124.2(16) . . ?
C42 C43 Rh2 69.8(6) . . ?
C39 C43 Rh2 68.7(6) . . ?
C48 C43 Rh2 124.7(10) . . ?
C53 C49 C50 105.5(12) . . ?
C53 C49 C54 123.8(12) . . ?
C50 C49 C54 130.6(13) . . ?
C53 C49 Rh3 71.6(7) . . ?
C50 C49 Rh3 70.2(7) . . ?
C54 C49 Rh3 124.7(9) . . ?
C51 C50 C49 109.0(11) . . ?
C51 C50 C55 129.6(15) . . ?
C49 C50 C55 121.4(16) . . ?
C51 C50 Rh3 71.0(7) . . ?
C49 C50 Rh3 69.1(6) . . ?
C55 C50 Rh3 126.0(9) . . ?
C50 C51 C52 107.1(11) . . ?
C50 C51 C56 126.7(14) . . ?
C52 C51 C56 126.2(15) . . ?
C50 C51 Rh3 70.1(7) . . ?
C52 C51 Rh3 70.0(6) . . ?
C56 C51 Rh3 125.4(9) . . ?
C53 C52 C51 109.0(12) . . ?
C53 C52 C57 126.6(13) . . ?
C51 C52 C57 124.4(14) . . ?
C53 C52 Rh3 71.2(6) . . ?
C51 C52 Rh3 70.8(6) . . ?
C57 C52 Rh3 124.2(10) . . ?
C52 C53 C49 109.2(10) . . ?
C52 C53 C58 125.3(12) . . ?
C49 C53 C58 125.5(12) . . ?
C52 C53 Rh3 70.0(6) . . ?
C49 C53 Rh3 69.2(6) . . ?
C58 C53 Rh3 125.3(8) . . ?
C60 C59 C63 106.2(12) . . ?
C60 C59 C64 126.1(12) . . ?
C63 C59 C64 127.5(13) . . ?
C60 C59 Rh4 71.8(7) . . ?
C63 C59 Rh4 70.6(6) . . ?
C64 C59 Rh4 126.5(9) . . ?
C61 C60 C59 111.4(12) . . ?
C61 C60 C65 124.9(13) . . ?
C59 C60 C65 123.5(12) . . ?
C61 C60 Rh4 71.1(7) . . ?
C59 C60 Rh4 69.7(6) . . ?
C65 C60 Rh4 122.8(9) . . ?
C60 C61 C62 107.7(13) . . ?
C60 C61 C66 128.2(14) . . ?
C62 C61 C66 124.0(14) . . ?
C60 C61 Rh4 71.1(7) . . ?
C62 C61 Rh4 69.1(7) . . ?
C66 C61 Rh4 123.1(10) . . ?
C63 C62 C67 127.4(16) . . ?
C63 C62 C61 104.8(12) . . ?
C67 C62 C61 127.7(17) . . ?
C63 C62 Rh4 70.3(7) . . ?
C67 C62 Rh4 124.7(10) . . ?
C61 C62 Rh4 70.2(6) . . ?
C62 C63 C59 109.6(12) . . ?
C62 C63 C68 126.1(15) . . ?
C59 C63 C68 124.2(15) . . ?
C62 C63 Rh4 70.2(7) . . ?
C59 C63 Rh4 69.6(6) . . ?
C68 C63 Rh4 124.1(9) . . ?
F3 C69 F2 109.2(12) . . ?
F3 C69 F1 107.4(12) . . ?
F2 C69 F1 106.8(11) . . ?
F3 C69 S1 111.5(9) . . ?
F2 C69 S1 111.8(10) . . ?
F1 C69 S1 110.0(9) . . ?
F4 C70 F6 107.1(16) . . ?
F4 C70 F5 103.0(14) . . ?
F6 C70 F5 90.4(17) . . ?
F4 C70 S2 119(2) . . ?
F6 C70 S2 117.2(12) . . ?
F5 C70 S2 115.5(13) . . ?
F8 C71 F9 107(2) . . ?
F8 C71 F7 106(2) . . ?
F9 C71 F7 105(2) . . ?
F8 C71 S3 107(3) . . ?
F9 C71 S3 121(4) . . ?
F7 C71 S3 111(3) . . ?
F10 C72 F11 116(3) . . ?
F10 C72 F12 92(2) . . ?
F11 C72 F12 96(3) . . ?
F10 C72 S4 128(3) . . ?
F11 C72 S4 111(2) . . ?
F12 C72 S4 107(3) . . ?
N11 C73 C74 177(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
N4 Ni1 N2 C10 3.6(7) . . . . ?
N9 Ni1 N2 C10 -177.7(7) . . . . ?
N7 Ni1 N4 C11 178.9(7) . . . . ?
N2 Ni1 N4 C11 -2.5(7) . . . . ?
N4 Ni1 N7 C22 -179.1(7) . . . . ?
N9 Ni1 N7 C22 2.2(7) . . . . ?
N7 Ni1 N9 C23 -1.6(7) . . . . ?
N2 Ni1 N9 C23 179.8(7) . . . . ?
Rh2 O4 C1 O1 164.3(7) . . . . ?
Rh2 O4 C1 C2 -15.3(9) . . . . ?
Rh1 O1 C1 O4 -177.6(7) . . . . ?
Rh1 O1 C1 C2 2.0(9) . . . . ?
Rh2 O3 C2 O2 -168.6(6) . . . . ?
Rh2 O3 C2 C1 11.6(9) . . . . ?
Rh1 O2 C2 O3 173.7(6) . . . . ?
Rh1 O2 C2 C1 -6.5(8) . . . . ?
O4 C1 C2 O3 2.6(12) . . . . ?
O1 C1 C2 O3 -177.0(7) . . . . ?
O4 C1 C2 O2 -177.2(7) . . . . ?
O1 C1 C2 O2 3.1(11) . . . . ?
Rh4 O8 C3 O5 -166.7(7) . . . . ?
Rh4 O8 C3 C4 11.6(10) . . . . ?
Rh3 O5 C3 O8 176.8(7) . . . . ?
Rh3 O5 C3 C4 -1.5(10) . . . . ?
Rh4 O7 C4 O6 170.4(7) . . . . ?
Rh4 O7 C4 C3 -10.1(10) . . . . ?
Rh3 O6 C4 O7 -174.7(8) . . . . ?
Rh3 O6 C4 C3 5.9(9) . . . . ?
O8 C3 C4 O7 -1.0(13) . . . . ?
O5 C3 C4 O7 177.4(8) . . . . ?
O8 C3 C4 O6 178.5(8) . . . . ?
O5 C3 C4 O6 -3.1(12) . . . . ?
C9 N1 C5 C6 0.8(13) . . . . ?
Rh1 N1 C5 C6 -162.7(7) . . . . ?
N1 C5 C6 C7 4.3(14) . . . . ?
C5 C6 C7 C8 -7.7(13) . . . . ?
C5 C6 C7 C10 171.8(8) . . . . ?
C6 C7 C8 C9 6.5(13) . . . . ?
C10 C7 C8 C9 -173.1(8) . . . . ?
C5 N1 C9 C8 -2.0(13) . . . . ?
Rh1 N1 C9 C8 161.8(7) . . . . ?
C7 C8 C9 N1 -1.7(14) . . . . ?
Ni1 N2 C10 N3 -1.2(13) . . . . ?
Ni1 N2 C10 C7 -179.2(6) . . . . ?
C11 N3 C10 N2 -3.8(13) . . . . ?
C11 N3 C10 C7 174.4(7) . . . . ?
C6 C7 C10 N2 -16.0(12) . . . . ?
C8 C7 C10 N2 163.6(8) . . . . ?
C6 C7 C10 N3 165.7(8) . . . . ?
C8 C7 C10 N3 -14.7(11) . . . . ?
Ni1 N4 C11 N3 -1.2(12) . . . . ?
Ni1 N4 C11 C14 178.1(5) . . . . ?
C10 N3 C11 N4 5.0(12) . . . . ?
C10 N3 C11 C14 -174.3(7) . . . . ?
C16 N5 C12 C13 -1.6(13) . . . . ?
Rh3 N5 C12 C13 165.6(7) . . . . ?
N5 C12 C13 C14 -3.0(13) . . . . ?
C12 C13 C14 C15 6.1(12) . . . . ?
C12 C13 C14 C11 -173.5(8) . . . . ?
N4 C11 C14 C15 -156.8(8) . . . . ?
N3 C11 C14 C15 22.6(11) . . . . ?
N4 C11 C14 C13 22.9(12) . . . . ?
N3 C11 C14 C13 -157.8(8) . . . . ?
C13 C14 C15 C16 -4.8(13) . . . . ?
C11 C14 C15 C16 174.9(8) . . . . ?
C12 N5 C16 C15 3.1(14) . . . . ?
Rh3 N5 C16 C15 -164.3(8) . . . . ?
C14 C15 C16 N5 0.2(15) . . . . ?
C21 N6 C17 C18 -0.9(15) . . . . ?
Rh2 N6 C17 C18 175.9(8) 2_676 . . . ?
N6 C17 C18 C19 0.4(16) . . . . ?
C17 C18 C19 C20 1.0(14) . . . . ?
C17 C18 C19 C22 -176.3(9) . . . . ?
C18 C19 C20 C21 -1.9(15) . . . . ?
C22 C19 C20 C21 175.3(9) . . . . ?
C17 N6 C21 C20 0.0(16) . . . . ?
Rh2 N6 C21 C20 -176.8(8) 2_676 . . . ?
C19 C20 C21 N6 1.5(17) . . . . ?
Ni1 N7 C22 N8 -0.2(13) . . . . ?
Ni1 N7 C22 C19 -177.6(6) . . . . ?
C23 N8 C22 N7 -3.3(14) . . . . ?
C23 N8 C22 C19 174.3(8) . . . . ?
C20 C19 C22 N7 18.1(13) . . . . ?
C18 C19 C22 N7 -164.8(8) . . . . ?
C20 C19 C22 N8 -159.6(9) . . . . ?
C18 C19 C22 N8 17.4(12) . . . . ?
Ni1 N9 C23 N8 -1.1(13) . . . . ?
Ni1 N9 C23 C26 177.3(6) . . . . ?
C22 N8 C23 N9 3.9(14) . . . . ?
C22 N8 C23 C26 -174.6(8) . . . . ?
C28 N10 C24 C25 -2.7(19) . . . . ?
Rh4 N10 C24 C25 177.3(10) 2_676 . . . ?
N10 C24 C25 C26 2(2) . . . . ?
C24 C25 C26 C27 0.1(17) . . . . ?
C24 C25 C26 C23 -176.0(10) . . . . ?
N9 C23 C26 C27 160.3(9) . . . . ?
N8 C23 C26 C27 -21.1(12) . . . . ?
N9 C23 C26 C25 -23.8(14) . . . . ?
N8 C23 C26 C25 154.8(10) . . . . ?
C25 C26 C27 C28 -0.9(17) . . . . ?
C23 C26 C27 C28 175.2(11) . . . . ?
C24 N10 C28 C27 1.8(19) . . . . ?
Rh4 N10 C28 C27 -178.1(10) 2_676 . . . ?
C26 C27 C28 N10 0(2) . . . . ?
C33 C29 C30 C31 -2.3(11) . . . . ?
C34 C29 C30 C31 -177.6(9) . . . . ?
Rh1 C29 C30 C31 60.1(6) . . . . ?
C33 C29 C30 C35 177.9(10) . . . . ?
C34 C29 C30 C35 2.7(16) . . . . ?
Rh1 C29 C30 C35 -119.6(11) . . . . ?
C33 C29 C30 Rh1 -62.4(7) . . . . ?
C34 C29 C30 Rh1 122.3(10) . . . . ?
C29 C30 C31 C32 0.6(10) . . . . ?
C35 C30 C31 C32 -179.7(10) . . . . ?
Rh1 C30 C31 C32 60.7(6) . . . . ?
C29 C30 C31 C36 -179.1(10) . . . . ?
C35 C30 C31 C36 0.6(17) . . . . ?
Rh1 C30 C31 C36 -118.9(10) . . . . ?
C29 C30 C31 Rh1 -60.2(7) . . . . ?
C35 C30 C31 Rh1 119.6(11) . . . . ?
C30 C31 C32 C33 1.4(11) . . . . ?
C36 C31 C32 C33 -178.9(10) . . . . ?
Rh1 C31 C32 C33 62.8(7) . . . . ?
C30 C31 C32 C37 178.3(10) . . . . ?
C36 C31 C32 C37 -2.0(16) . . . . ?
Rh1 C31 C32 C37 -120.3(10) . . . . ?
C30 C31 C32 Rh1 -61.4(7) . . . . ?
C36 C31 C32 Rh1 118.3(10) . . . . ?
C31 C32 C33 C29 -2.9(11) . . . . ?
C37 C32 C33 C29 -179.8(10) . . . . ?
Rh1 C32 C33 C29 58.3(7) . . . . ?
C31 C32 C33 C38 -178.9(10) . . . . ?
C37 C32 C33 C38 4.2(17) . . . . ?
Rh1 C32 C33 C38 -117.6(10) . . . . ?
C31 C32 C33 Rh1 -61.3(6) . . . . ?
C37 C32 C33 Rh1 121.8(11) . . . . ?
C30 C29 C33 C32 3.3(11) . . . . ?
C34 C29 C33 C32 178.5(10) . . . . ?
Rh1 C29 C33 C32 -58.7(7) . . . . ?
C30 C29 C33 C38 179.4(9) . . . . ?
C34 C29 C33 C38 -5.4(16) . . . . ?
Rh1 C29 C33 C38 117.4(10) . . . . ?
C30 C29 C33 Rh1 62.0(6) . . . . ?
C34 C29 C33 Rh1 -122.8(10) . . . . ?
C43 C39 C40 C41 -4.4(12) . . . . ?
C44 C39 C40 C41 179.8(11) . . . . ?
Rh2 C39 C40 C41 59.2(8) . . . . ?
C43 C39 C40 C45 177.9(12) . . . . ?
C44 C39 C40 C45 2.1(19) . . . . ?
Rh2 C39 C40 C45 -118.5(12) . . . . ?
C43 C39 C40 Rh2 -63.6(7) . . . . ?
C44 C39 C40 Rh2 120.6(12) . . . . ?
C39 C40 C41 C42 2.6(12) . . . . ?
C45 C40 C41 C42 -179.6(11) . . . . ?
Rh2 C40 C41 C42 61.9(7) . . . . ?
C39 C40 C41 C46 178.8(11) . . . . ?
C45 C40 C41 C46 -3.5(19) . . . . ?
Rh2 C40 C41 C46 -122.0(12) . . . . ?
C39 C40 C41 Rh2 -59.2(8) . . . . ?
C45 C40 C41 Rh2 118.5(12) . . . . ?
C40 C41 C42 C43 0.3(12) . . . . ?
C46 C41 C42 C43 -175.9(12) . . . . ?
Rh2 C41 C42 C43 62.9(8) . . . . ?
C40 C41 C42 C47 178.5(11) . . . . ?
C46 C41 C42 C47 2.3(18) . . . . ?
Rh2 C41 C42 C47 -118.9(11) . . . . ?
C40 C41 C42 Rh2 -62.6(7) . . . . ?
C46 C41 C42 Rh2 121.2(12) . . . . ?
C41 C42 C43 C39 -2.9(13) . . . . ?
C47 C42 C43 C39 178.9(11) . . . . ?
Rh2 C42 C43 C39 58.3(8) . . . . ?
C41 C42 C43 C48 179.9(12) . . . . ?
C47 C42 C43 C48 2(2) . . . . ?
Rh2 C42 C43 C48 -118.9(14) . . . . ?
C41 C42 C43 Rh2 -61.2(7) . . . . ?
C47 C42 C43 Rh2 120.7(13) . . . . ?
C40 C39 C43 C42 4.5(12) . . . . ?
C44 C39 C43 C42 -179.6(11) . . . . ?
Rh2 C39 C43 C42 -59.0(8) . . . . ?
C40 C39 C43 C48 -178.2(12) . . . . ?
C44 C39 C43 C48 -2.3(19) . . . . ?
Rh2 C39 C43 C48 118.3(13) . . . . ?
C40 C39 C43 Rh2 63.5(7) . . . . ?
C44 C39 C43 Rh2 -120.6(11) . . . . ?
C53 C49 C50 C51 -3.4(13) . . . . ?
C54 C49 C50 C51 179.2(12) . . . . ?
Rh3 C49 C50 C51 59.9(8) . . . . ?
C53 C49 C50 C55 176.4(11) . . . . ?
C54 C49 C50 C55 -1(2) . . . . ?
Rh3 C49 C50 C55 -120.3(12) . . . . ?
C53 C49 C50 Rh3 -63.4(7) . . . . ?
C54 C49 C50 Rh3 119.2(13) . . . . ?
C49 C50 C51 C52 1.8(13) . . . . ?
C55 C50 C51 C52 -178.0(12) . . . . ?
Rh3 C50 C51 C52 60.5(8) . . . . ?
C49 C50 C51 C56 -178.8(11) . . . . ?
C55 C50 C51 C56 1(2) . . . . ?
Rh3 C50 C51 C56 -120.0(12) . . . . ?
C49 C50 C51 Rh3 -58.8(8) . . . . ?
C55 C50 C51 Rh3 121.4(14) . . . . ?
C50 C51 C52 C53 0.6(13) . . . . ?
C56 C51 C52 C53 -178.9(11) . . . . ?
Rh3 C51 C52 C53 61.3(8) . . . . ?
C50 C51 C52 C57 -179.5(12) . . . . ?
C56 C51 C52 C57 1(2) . . . . ?
Rh3 C51 C52 C57 -118.9(13) . . . . ?
C50 C51 C52 Rh3 -60.6(8) . . . . ?
C56 C51 C52 Rh3 119.9(12) . . . . ?
C51 C52 C53 C49 -2.8(13) . . . . ?
C57 C52 C53 C49 177.3(12) . . . . ?
Rh3 C52 C53 C49 58.2(8) . . . . ?
C51 C52 C53 C58 179.3(10) . . . . ?
C57 C52 C53 C58 -0.6(19) . . . . ?
Rh3 C52 C53 C58 -119.7(11) . . . . ?
C51 C52 C53 Rh3 -61.0(8) . . . . ?
C57 C52 C53 Rh3 119.1(14) . . . . ?
C50 C49 C53 C52 3.8(12) . . . . ?
C54 C49 C53 C52 -178.6(11) . . . . ?
Rh3 C49 C53 C52 -58.7(8) . . . . ?
C50 C49 C53 C58 -178.3(10) . . . . ?
C54 C49 C53 C58 -0.7(18) . . . . ?
Rh3 C49 C53 C58 119.2(11) . . . . ?
C50 C49 C53 Rh3 62.5(7) . . . . ?
C54 C49 C53 Rh3 -119.9(12) . . . . ?
C63 C59 C60 C61 -3.7(13) . . . . ?
C64 C59 C60 C61 -178.7(12) . . . . ?
Rh4 C59 C60 C61 58.9(9) . . . . ?
C63 C59 C60 C65 -179.2(11) . . . . ?
C64 C59 C60 C65 5.8(19) . . . . ?
Rh4 C59 C60 C65 -116.6(12) . . . . ?
C63 C59 C60 Rh4 -62.6(7) . . . . ?
C64 C59 C60 Rh4 122.4(12) . . . . ?
C59 C60 C61 C62 1.5(14) . . . . ?
C65 C60 C61 C62 176.9(11) . . . . ?
Rh4 C60 C61 C62 59.6(8) . . . . ?
C59 C60 C61 C66 -175.8(12) . . . . ?
C65 C60 C61 C66 0(2) . . . . ?
Rh4 C60 C61 C66 -117.7(14) . . . . ?
C59 C60 C61 Rh4 -58.1(8) . . . . ?
C65 C60 C61 Rh4 117.3(12) . . . . ?
C60 C61 C62 C63 1.4(13) . . . . ?
C66 C61 C62 C63 178.8(12) . . . . ?
Rh4 C61 C62 C63 62.3(8) . . . . ?
C60 C61 C62 C67 180.0(12) . . . . ?
C66 C61 C62 C67 -3(2) . . . . ?
Rh4 C61 C62 C67 -119.1(14) . . . . ?
C60 C61 C62 Rh4 -60.9(8) . . . . ?
C66 C61 C62 Rh4 116.6(13) . . . . ?
C67 C62 C63 C59 177.8(12) . . . . ?
C61 C62 C63 C59 -3.7(13) . . . . ?
Rh4 C62 C63 C59 58.5(8) . . . . ?
C67 C62 C63 C68 1(2) . . . . ?
C61 C62 C63 C68 179.4(12) . . . . ?
Rh4 C62 C63 C68 -118.4(13) . . . . ?
C67 C62 C63 Rh4 119.2(13) . . . . ?
C61 C62 C63 Rh4 -62.2(8) . . . . ?
C60 C59 C63 C62 4.6(13) . . . . ?
C64 C59 C63 C62 179.5(12) . . . . ?
Rh4 C59 C63 C62 -58.9(8) . . . . ?
C60 C59 C63 C68 -178.4(11) . . . . ?
C64 C59 C63 C68 -3.5(19) . . . . ?
Rh4 C59 C63 C68 118.1(12) . . . . ?
C60 C59 C63 Rh4 63.5(8) . . . . ?
C64 C59 C63 Rh4 -121.6(12) . . . . ?
O9 S1 C69 F3 60.8(11) . . . . ?
O11 S1 C69 F3 -60.0(11) . . . . ?
O10 S1 C69 F3 -180.0(10) . . . . ?
O9 S1 C69 F2 -61.7(10) . . . . ?
O11 S1 C69 F2 177.5(8) . . . . ?
O10 S1 C69 F2 57.5(10) . . . . ?
O9 S1 C69 F1 179.8(9) . . . . ?
O11 S1 C69 F1 59.0(11) . . . . ?
O10 S1 C69 F1 -61.0(10) . . . . ?
O13 S2 C70 F4 -56.9(17) . . . . ?
O14 S2 C70 F4 61.7(16) . . . . ?
O12 S2 C70 F4 -178.0(14) . . . . ?
O13 S2 C70 F6 171.3(15) . . . . ?
O14 S2 C70 F6 -70.1(16) . . . . ?
O12 S2 C70 F6 50.2(17) . . . . ?
O13 S2 C70 F5 66.6(16) . . . . ?
O14 S2 C70 F5 -174.8(13) . . . . ?
O12 S2 C70 F5 -54.5(15) . . . . ?
O16 S3 C71 F8 -168(3) . . . . ?
O17 S3 C71 F8 -60(3) . . . . ?
O15 S3 C71 F8 70(3) . . . . ?
O16 S3 C71 F9 -46(3) . . . . ?
O17 S3 C71 F9 62(3) . . . . ?
O15 S3 C71 F9 -168(3) . . . . ?
O16 S3 C71 F7 77(3) . . . . ?
O17 S3 C71 F7 -175(3) . . . . ?
O15 S3 C71 F7 -45(3) . . . . ?
O20 S4 C72 F10 177(3) . . . . ?
O19 S4 C72 F10 48(4) . . . . ?
O18 S4 C72 F10 -70(3) . . . . ?
O20 S4 C72 F11 -32(3) . . . . ?
O19 S4 C72 F11 -161(3) . . . . ?
O18 S4 C72 F11 81(3) . . . . ?
O20 S4 C72 F12 71(3) . . . . ?
O19 S4 C72 F12 -57(3) . . . . ?
O18 S4 C72 F12 -176(2) . . . . ?

_refine_diff_density_max         2.695
_refine_diff_density_min         -1.242
_refine_diff_density_rms         0.163

####################################################################### 
# 
# 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 1536194'
_audit_update_record             
;
2017-03-06 deposited with the CCDC.
2017-03-29 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            6
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C164 H184 Cl8 F24 N8 O30 Rh8 S8'
_chemical_formula_weight         4566.54

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 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'
Cl Cl 0.3639 0.7018 '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                   12.4501(15)
_cell_length_b                   19.268(5)
_cell_length_c                   21.042(3)
_cell_angle_alpha                104.18(2)
_cell_angle_beta                 94.641(13)
_cell_angle_gamma                100.406(14)
_cell_volume                     4771.9(15)
_cell_formula_units_Z            1
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9984
_cell_measurement_theta_min      2.79
_cell_measurement_theta_max      70.02

_exptl_crystal_description       rod
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.589
_exptl_crystal_F_000             2304
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.360
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.040
_exptl_absorpt_coefficient_mu    8.076
_shelx_estimated_absorpt_T_min   0.159
_shelx_estimated_absorpt_T_max   0.738
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.149
_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            49252
_diffrn_reflns_av_unetI/netI     0.0549
_diffrn_reflns_av_R_equivalents  0.0471
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.184
_diffrn_reflns_theta_max         67.493
_diffrn_reflns_theta_full        67.493
_diffrn_measured_fraction_theta_max 0.906
_diffrn_measured_fraction_theta_full 0.906
_diffrn_reflns_Laue_measured_fraction_max 0.906
_diffrn_reflns_Laue_measured_fraction_full 0.906
_diffrn_reflns_point_group_measured_fraction_max 0.906
_diffrn_reflns_point_group_measured_fraction_full 0.906
_reflns_number_total             15567
_reflns_number_gt                12492
_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 (52:48). 15 ISOR, 4 DELU and 18 DFIX instructions 
 were used to restrain anions and Cp* fragments so that 
 there were 112 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)+(0.0807P)²+120.3857P] 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         15567
_refine_ls_number_parameters     948
_refine_ls_number_restraints     112
_refine_ls_R_factor_all          0.1244
_refine_ls_R_factor_gt           0.1126
_refine_ls_wR_factor_ref         0.3021
_refine_ls_wR_factor_gt          0.2970
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_restrained_S_all      1.064
_refine_ls_shift/su_max          0.007
_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 0.253 0.500 0.500 1126 363 ' '
2 0.012 0.500 0.000 478 131 ' '
_platon_squeeze_void_probe_radius 1.20
_platon_squeeze_details          
; 
 In asymmetric unit of this data, there were disordered 
 anions and solvents (two and a half triflate anions, two 
 methanol and one water molecules) which could not be 
 restrained properly. Therefore, SQUEEZE algorithm was used 
 to omit them. 
;

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh -0.07595(8) 0.24727(6) 0.66656(5) 0.0462(3) Uani 1 1 d . . . . .
Rh2 Rh 0.16763(8) 0.16586(6) 0.64509(5) 0.0465(3) Uani 1 1 d . . . . .
Rh3 Rh 0.68307(9) 0.27488(6) 1.22491(5) 0.0558(3) Uani 1 1 d . . . . .
Rh4 Rh 0.51261(11) 0.41143(8) 1.23829(8) 0.0831(5) Uani 1 1 d . . . . .
Cl1 Cl 0.1257(3) 0.28663(18) 0.69111(17) 0.0505(7) Uani 1 1 d . . . . .
Cl2 Cl -0.0314(3) 0.12781(19) 0.61566(16) 0.0512(8) Uani 1 1 d . . . . .
Cl3 Cl 0.6530(3) 0.3714(2) 1.1725(2) 0.0690(10) Uani 1 1 d . . . . .
Cl4 Cl 0.5461(4) 0.3171(3) 1.2926(2) 0.0803(13) Uani 1 1 d . . . . .
N1 N 0.1451(8) 0.1358(6) 0.7345(5) 0.041(2) Uani 1 1 d . . . . .
N2 N 0.0695(9) -0.2261(6) 1.2390(5) 0.046(3) Uani 1 1 d . . . . .
N3 N 0.5545(9) 0.2037(6) 1.1519(5) 0.050(3) Uani 1 1 d . . . . .
N4 N -0.3848(11) -0.3295(7) 0.8262(7) 0.064(3) Uani 1 1 d . . . . .
S1 S 0.5594(18) 0.2353(10) 0.8661(8) 0.127(7) Uani 0.52(2) 1 d D U P A 1
O1 O 0.499(5) 0.186(3) 0.898(4) 0.20(2) Uani 0.52(2) 1 d D U P A 1
O2 O 0.500(6) 0.283(4) 0.845(3) 0.172(13) Uani 0.52(2) 1 d D U P A 1
O3 O 0.645(3) 0.2129(19) 0.8327(18) 0.136(14) Uani 0.52(2) 1 d D U P A 1
S1' S 0.5017(13) 0.2620(11) 0.8891(9) 0.112(6) Uani 0.48(2) 1 d D . P A 2
O1' O 0.480(7) 0.184(3) 0.878(4) 0.20(2) Uani 0.48(2) 1 d D . P A 2
O2' O 0.473(6) 0.289(4) 0.835(2) 0.172(13) Uani 0.48(2) 1 d D . P A 2
O3' O 0.424(4) 0.288(3) 0.9415(19) 0.19(2) Uani 0.48(2) 1 d D U P A 2
F1 F 0.7064(18) 0.3485(12) 0.9161(10) 0.195(9) Uani 1 1 d D . . . .
F2 F 0.609(3) 0.339(2) 0.9824(15) 0.35(2) Uani 1 1 d D . . . .
F3 F 0.6999(19) 0.2636(12) 0.9657(10) 0.181(8) Uani 1 1 d D . . . .
C1 C 0.1770(11) 0.0554(7) 0.9059(6) 0.043(3) Uani 1 1 d . . . . .
C2 C 0.2725(11) 0.0880(7) 0.9494(7) 0.047(3) Uani 1 1 d . . . . .
H2 H 0.3183 0.1296 0.9421 0.057 Uiso 1 1 calc R U . . .
C3 C 0.3052(12) 0.0632(7) 1.0036(6) 0.048(3) Uani 1 1 d . . . . .
C4 C 0.2428(10) -0.0023(7) 1.0113(6) 0.042(3) Uani 1 1 d . . . . .
C5 C 0.2803(11) -0.0400(7) 1.0561(6) 0.045(3) Uani 1 1 d . . . . .
H5 H 0.3530 -0.0234 1.0791 0.054 Uiso 1 1 calc R U . . .
C6 C 0.2158(11) -0.0978(7) 1.0665(6) 0.044(3) Uani 1 1 d . . . . .
H6 H 0.2445 -0.1219 1.0963 0.053 Uiso 1 1 calc R U . . .
C7 C 0.1055(10) -0.1255(7) 1.0350(6) 0.041(3) Uani 1 1 d . . . . .
C8 C 0.0309(11) -0.1810(8) 1.0502(6) 0.048(3) Uani 1 1 d . . . . .
C9 C -0.0669(9) -0.2142(7) 1.0090(6) 0.041(3) Uani 1 1 d . . . . .
H9 H -0.1138 -0.2539 1.0187 0.049 Uiso 1 1 calc R U . . .
C10 C -0.0989(10) -0.1912(7) 0.9537(6) 0.040(3) Uani 1 1 d . . . . .
C11 C -0.0345(10) -0.1279(7) 0.9427(6) 0.041(3) Uani 1 1 d . . . . .
C12 C -0.0686(10) -0.0923(7) 0.8949(6) 0.043(3) Uani 1 1 d . . . . .
H12 H -0.1391 -0.1109 0.8695 0.051 Uiso 1 1 calc R U . . .
C13 C -0.0034(11) -0.0331(7) 0.8848(6) 0.045(3) Uani 1 1 d . . . . .
H13 H -0.0307 -0.0103 0.8534 0.054 Uiso 1 1 calc R U . . .
C14 C 0.1049(10) -0.0033(7) 0.9195(6) 0.040(3) Uani 1 1 d . . . . .
C15 C 0.1395(10) -0.0338(7) 0.9706(6) 0.037(3) Uani 1 1 d . . . . .
C16 C 0.0690(10) -0.0965(7) 0.9823(6) 0.041(3) Uani 1 1 d . . . . .
C17 C 0.1898(10) 0.1802(7) 0.7937(7) 0.044(3) Uani 1 1 d . . . . .
H17 H 0.2183 0.2303 0.7970 0.053 Uiso 1 1 calc R U . . .
C18 C 0.1962(11) 0.1566(7) 0.8497(6) 0.043(3) Uani 1 1 d . . . . .
H18 H 0.2266 0.1905 0.8910 0.052 Uiso 1 1 calc R U . . .
C19 C 0.1583(10) 0.0831(7) 0.8468(6) 0.041(3) Uani 1 1 d . . . . .
C20 C 0.1129(10) 0.0379(7) 0.7851(6) 0.043(3) Uani 1 1 d . . . . .
H20 H 0.0869 -0.0129 0.7803 0.051 Uiso 1 1 calc R U . . .
C21 C 0.1046(11) 0.0649(7) 0.7309(7) 0.046(3) Uani 1 1 d . . . . .
H21 H 0.0695 0.0329 0.6897 0.055 Uiso 1 1 calc R U . . .
C22 C 0.4680(11) 0.1652(7) 1.1681(7) 0.047(3) Uani 1 1 d . . . . .
H22 H 0.4607 0.1705 1.2136 0.057 Uiso 1 1 calc R U . . .
C23 C 0.3883(11) 0.1180(8) 1.1214(7) 0.052(3) Uani 1 1 d . . . . .
H23 H 0.3257 0.0915 1.1345 0.062 Uiso 1 1 calc R U . . .
C24 C 0.3984(11) 0.1082(7) 1.0540(7) 0.046(3) Uani 1 1 d . . . . .
C25 C 0.4888(10) 0.1450(9) 1.0381(6) 0.053(4) Uani 1 1 d . . . . .
H25 H 0.5003 0.1369 0.9930 0.064 Uiso 1 1 calc R U . . .
C26 C 0.5669(12) 0.1951(8) 1.0866(7) 0.051(3) Uani 1 1 d . . . . .
H26 H 0.6287 0.2234 1.0744 0.062 Uiso 1 1 calc R U . . .
C27 C 0.0285(11) -0.2799(7) 1.1829(7) 0.048(3) Uani 1 1 d . . . . .
H27 H 0.0040 -0.3283 1.1863 0.057 Uiso 1 1 calc R U . . .
C28 C 0.0208(12) -0.2676(7) 1.1217(7) 0.053(3) Uani 1 1 d . . . . .
H28 H -0.0053 -0.3076 1.0838 0.064 Uiso 1 1 calc R U . . .
C29 C 0.0499(10) -0.1996(8) 1.1144(6) 0.045(3) Uani 1 1 d . . . . .
C30 C 0.0947(10) -0.1437(7) 1.1717(6) 0.043(3) Uani 1 1 d . . . . .
H30 H 0.1194 -0.0951 1.1687 0.052 Uiso 1 1 calc R U . . .
C31 C 0.1034(11) -0.1591(7) 1.2330(6) 0.047(3) Uani 1 1 d . . . . .
H31 H 0.1343 -0.1207 1.2713 0.057 Uiso 1 1 calc R U . . .
C32 C -0.2994(13) -0.2977(9) 0.8021(8) 0.064(4) Uani 1 1 d . . . . .
H32 H -0.3028 -0.3063 0.7554 0.076 Uiso 1 1 calc R U . . .
C33 C -0.2073(13) -0.2535(8) 0.8405(7) 0.059(4) Uani 1 1 d . . . . .
H33 H -0.1468 -0.2348 0.8205 0.070 Uiso 1 1 calc R U . . .
C34 C -0.2015(12) -0.2355(7) 0.9087(7) 0.046(3) Uani 1 1 d . . . . .
C35 C -0.2906(11) -0.2671(8) 0.9332(7) 0.053(3) Uani 1 1 d . . . . .
H35 H -0.2907 -0.2575 0.9797 0.064 Uiso 1 1 calc R U . . .
C36 C -0.3806(13) -0.3130(8) 0.8911(9) 0.064(4) Uani 1 1 d . . . . .
H36 H -0.4417 -0.3333 0.9098 0.077 Uiso 1 1 calc R U . . .
C37 C 0.3300(11) 0.2050(9) 0.6297(8) 0.060(4) Uani 1 1 d . . . . .
C38 C 0.3253(12) 0.1356(9) 0.6409(9) 0.064(4) Uani 1 1 d . . . . .
C39 C 0.2458(13) 0.0839(9) 0.5913(8) 0.064(4) Uani 1 1 d . . . . .
C40 C 0.2059(14) 0.1206(11) 0.5459(7) 0.070(5) Uani 1 1 d . . . . .
C41 C 0.2585(15) 0.1959(10) 0.5690(8) 0.070(5) Uani 1 1 d . . . . .
C42 C 0.4031(14) 0.2757(10) 0.6682(9) 0.077(5) Uani 1 1 d . . . . .
H42A H 0.4248 0.2728 0.7132 0.116 Uiso 1 1 calc R U . . .
H42B H 0.3634 0.3155 0.6702 0.116 Uiso 1 1 calc R U . . .
H42C H 0.4690 0.2850 0.6466 0.116 Uiso 1 1 calc R U . . .
C43 C 0.3895(14) 0.1169(12) 0.6952(9) 0.080(5) Uani 1 1 d . . . . .
H43A H 0.4597 0.1068 0.6814 0.120 Uiso 1 1 calc R U . . .
H43B H 0.3472 0.0735 0.7050 0.120 Uiso 1 1 calc R U . . .
H43C H 0.4038 0.1581 0.7349 0.120 Uiso 1 1 calc R U . . .
C44 C 0.2142(16) 0.0040(11) 0.5836(11) 0.091(6) Uani 1 1 d . . . . .
H44A H 0.2541 -0.0217 0.5502 0.137 Uiso 1 1 calc R U . . .
H44B H 0.1348 -0.0126 0.5696 0.137 Uiso 1 1 calc R U . . .
H44C H 0.2330 -0.0064 0.6259 0.137 Uiso 1 1 calc R U . . .
C45 C 0.1244(16) 0.0880(14) 0.4855(9) 0.099(7) Uani 1 1 d . . . . .
H45A H 0.0887 0.1259 0.4749 0.148 Uiso 1 1 calc R U . . .
H45B H 0.0687 0.0490 0.4932 0.148 Uiso 1 1 calc R U . . .
H45C H 0.1622 0.0675 0.4484 0.148 Uiso 1 1 calc R U . . .
C46 C 0.2440(17) 0.2549(13) 0.5383(10) 0.094(6) Uani 1 1 d . . . . .
H46A H 0.2981 0.2594 0.5074 0.141 Uiso 1 1 calc R U . . .
H46B H 0.2548 0.3012 0.5727 0.141 Uiso 1 1 calc R U . . .
H46C H 0.1695 0.2437 0.5144 0.141 Uiso 1 1 calc R U . . .
C47 C -0.1102(15) 0.3035(10) 0.5931(8) 0.070(5) Uani 1 1 d . . . . .
C48 C -0.1865(12) 0.2390(9) 0.5808(8) 0.060(4) Uani 1 1 d . U . . .
C49 C -0.2475(10) 0.2420(8) 0.6367(7) 0.050(3) Uani 1 1 d . U . . .
C50 C -0.2028(12) 0.3096(9) 0.6842(8) 0.058(4) Uani 1 1 d . . . . .
C51 C -0.1160(13) 0.3475(9) 0.6600(9) 0.063(4) Uani 1 1 d . . . . .
C52 C -0.0288(18) 0.3275(14) 0.5480(11) 0.105(8) Uani 1 1 d . . . . .
H52A H -0.0151 0.2842 0.5166 0.158 Uiso 1 1 calc R U . . .
H52B H 0.0407 0.3554 0.5749 0.158 Uiso 1 1 calc R U . . .
H52C H -0.0597 0.3583 0.5238 0.158 Uiso 1 1 calc R U . . .
C53 C -0.213(2) 0.1783(13) 0.5181(10) 0.111(8) Uani 1 1 d . . . . .
H53A H -0.2711 0.1870 0.4889 0.166 Uiso 1 1 calc R U . . .
H53B H -0.2370 0.1315 0.5285 0.166 Uiso 1 1 calc R U . . .
H53C H -0.1465 0.1766 0.4959 0.166 Uiso 1 1 calc R U . . .
C54 C -0.3370(16) 0.1839(12) 0.6445(12) 0.098(7) Uani 1 1 d . . . . .
H54A H -0.3215 0.1359 0.6243 0.147 Uiso 1 1 calc R U . . .
H54B H -0.4071 0.1884 0.6227 0.147 Uiso 1 1 calc R U . . .
H54C H -0.3417 0.1891 0.6916 0.147 Uiso 1 1 calc R U . . .
C55 C -0.2453(15) 0.3367(12) 0.7470(9) 0.083(6) Uani 1 1 d . . . . .
H55A H -0.2724 0.2955 0.7650 0.125 Uiso 1 1 calc R U . . .
H55B H -0.3057 0.3611 0.7391 0.125 Uiso 1 1 calc R U . . .
H55C H -0.1860 0.3715 0.7786 0.125 Uiso 1 1 calc R U . . .
C56 C -0.0488(17) 0.4225(10) 0.6897(12) 0.098(7) Uani 1 1 d . . . . .
H56A H -0.0792 0.4574 0.6705 0.146 Uiso 1 1 calc R U . . .
H56B H 0.0274 0.4238 0.6807 0.146 Uiso 1 1 calc R U . . .
H56C H -0.0504 0.4357 0.7376 0.146 Uiso 1 1 calc R U . . .
C57 C 0.8050(16) 0.2889(12) 1.3072(9) 0.082(5) Uani 1 1 d . . . . .
C58 C 0.7593(13) 0.2127(9) 1.2805(8) 0.065(4) Uani 1 1 d . U . . .
C59 C 0.7845(18) 0.1953(11) 1.2129(9) 0.082(6) Uani 1 1 d . . . . .
C60 C 0.8403(14) 0.2569(11) 1.2004(9) 0.073(5) Uani 1 1 d . . . . .
C61 C 0.8578(14) 0.3150(10) 1.2607(10) 0.079(5) Uani 1 1 d . . . . .
C62 C 0.809(2) 0.3352(15) 1.3774(10) 0.121(9) Uani 1 1 d . . . . .
H62A H 0.8856 0.3490 1.3991 0.181 Uiso 1 1 calc R U . . .
H62B H 0.7635 0.3071 1.4020 0.181 Uiso 1 1 calc R U . . .
H62C H 0.7815 0.3794 1.3763 0.181 Uiso 1 1 calc R U . . .
C63 C 0.702(2) 0.1616(15) 1.3166(12) 0.125(9) Uani 1 1 d . . . . .
H63A H 0.7536 0.1342 1.3313 0.188 Uiso 1 1 calc R U . . .
H63B H 0.6395 0.1275 1.2870 0.188 Uiso 1 1 calc R U . . .
H63C H 0.6750 0.1900 1.3552 0.188 Uiso 1 1 calc R U . . .
C64 C 0.753(2) 0.1199(13) 1.1682(11) 0.118(9) Uani 1 1 d . . . . .
H64A H 0.7425 0.1224 1.1222 0.178 Uiso 1 1 calc R U . . .
H64B H 0.6838 0.0945 1.1789 0.178 Uiso 1 1 calc R U . . .
H64C H 0.8110 0.0930 1.1740 0.178 Uiso 1 1 calc R U . . .
C65 C 0.8825(17) 0.2629(15) 1.1340(11) 0.107(8) Uani 1 1 d . . . . .
H65A H 0.9631 0.2714 1.1396 0.161 Uiso 1 1 calc R U . . .
H65B H 0.8588 0.3038 1.1209 0.161 Uiso 1 1 calc R U . . .
H65C H 0.8522 0.2173 1.0997 0.161 Uiso 1 1 calc R U . . .
C66 C 0.9204(18) 0.3901(13) 1.2642(13) 0.110(8) Uani 1 1 d . . . . .
H66A H 0.8997 0.4033 1.2234 0.165 Uiso 1 1 calc R U . . .
H66B H 0.9996 0.3910 1.2693 0.165 Uiso 1 1 calc R U . . .
H66C H 0.9030 0.4254 1.3021 0.165 Uiso 1 1 calc R U . . .
C67 C 0.413(2) 0.4858(11) 1.2768(12) 0.102(7) Uani 1 1 d . U . . .
C68 C 0.505(3) 0.4910(15) 1.3255(12) 0.127(9) Uani 1 1 d . U . . .
C69 C 0.601(2) 0.5125(13) 1.3052(14) 0.108(7) Uani 1 1 d . U . . .
C70 C 0.580(2) 0.5248(14) 1.2410(16) 0.121(8) Uani 1 1 d . U . . .
C71 C 0.467(2) 0.5101(11) 1.2243(14) 0.103(7) Uani 1 1 d . U . . .
C72 C 0.292(2) 0.4708(14) 1.2790(14) 0.128(9) Uani 1 1 d . U . . .
H72A H 0.2711 0.5143 1.3062 0.193 Uiso 1 1 calc R U . . .
H72B H 0.2711 0.4295 1.2981 0.193 Uiso 1 1 calc R U . . .
H72C H 0.2527 0.4589 1.2340 0.193 Uiso 1 1 calc R U . . .
C73 C 0.484(4) 0.472(2) 1.387(2) 0.204(17) Uani 1 1 d . U . . .
H73A H 0.4043 0.4582 1.3872 0.306 Uiso 1 1 calc R U . . .
H73B H 0.5181 0.4308 1.3904 0.306 Uiso 1 1 calc R U . . .
H73C H 0.5152 0.5142 1.4246 0.306 Uiso 1 1 calc R U . . .
C74 C 0.712(2) 0.5219(15) 1.3429(17) 0.163(13) Uani 1 1 d . U . . .
H74A H 0.7068 0.4911 1.3738 0.244 Uiso 1 1 calc R U . . .
H74B H 0.7381 0.5733 1.3675 0.244 Uiso 1 1 calc R U . . .
H74C H 0.7636 0.5073 1.3119 0.244 Uiso 1 1 calc R U . . .
C75 C 0.672(3) 0.5506(16) 1.204(2) 0.190(17) Uani 1 1 d . . . . .
H75A H 0.6483 0.5326 1.1562 0.285 Uiso 1 1 calc R U . . .
H75B H 0.7374 0.5317 1.2151 0.285 Uiso 1 1 calc R U . . .
H75C H 0.6911 0.6042 1.2164 0.285 Uiso 1 1 calc R U . . .
C76 C 0.412(3) 0.5180(15) 1.1618(17) 0.165(14) Uani 1 1 d . . . . .
H76A H 0.4132 0.5699 1.1656 0.248 Uiso 1 1 calc R U . . .
H76B H 0.3359 0.4906 1.1535 0.248 Uiso 1 1 calc R U . . .
H76C H 0.4515 0.4988 1.1250 0.248 Uiso 1 1 calc R U . . .
C77 C 0.6404(17) 0.2939(15) 0.9291(14) 0.151(11) Uani 1 1 d D U . . .
S2 S 0.5409(12) 0.9621(8) 0.5354(7) 0.112(4) Uani 0.5 1 d D U P . .
O4 O 0.5281(19) 0.9070(14) 0.4774(11) 0.223(13) Uani 0.5 1 d D . P . .
O5 O 0.6420(15) 1.0090(13) 0.5485(13) 0.206(11) Uani 0.5 1 d D . P . .
O6 O 0.4690(19) 0.9617(19) 0.5804(14) 0.286(18) Uani 0.5 1 d D . P . .
F4 F 0.5281(19) 0.9070(14) 0.4774(11) 0.223(13) Uani 0.5 1 d . . P . .
F5 F 0.6420(15) 1.0090(13) 0.5485(13) 0.206(11) Uani 0.5 1 d . . P . .
F6 F 0.4690(19) 0.9617(19) 0.5804(14) 0.286(18) Uani 0.5 1 d . . P . .
C78 C 0.528(5) 0.989(3) 0.513(3) 0.112(4) Uani 0.5 1 d D . P . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 C51 2.113(15) . ?
Rh1 N2 2.122(10) 2_557 ?
Rh1 C48 2.133(13) . ?
Rh1 C47 2.151(14) . ?
Rh1 C50 2.153(14) . ?
Rh1 C49 2.154(12) . ?
Rh1 Cl1 2.460(4) . ?
Rh1 Cl2 2.470(4) . ?
Rh2 C37 2.106(12) . ?
Rh2 N1 2.123(10) . ?
Rh2 C39 2.141(15) . ?
Rh2 C38 2.148(14) . ?
Rh2 C41 2.166(14) . ?
Rh2 C40 2.183(14) . ?
Rh2 Cl2 2.436(4) . ?
Rh2 Cl1 2.458(4) . ?
Rh3 C60 2.130(16) . ?
Rh3 C59 2.137(17) . ?
Rh3 C57 2.139(17) . ?
Rh3 N3 2.140(11) . ?
Rh3 C58 2.150(13) . ?
Rh3 C61 2.177(17) . ?
Rh3 Cl4 2.434(4) . ?
Rh3 Cl3 2.451(4) . ?
Rh4 C68 2.104(19) . ?
Rh4 C67 2.115(18) . ?
Rh4 N4 2.136(13) 2_557 ?
Rh4 C69 2.15(2) . ?
Rh4 C71 2.16(2) . ?
Rh4 C70 2.18(3) . ?
Rh4 Cl3 2.434(4) . ?
Rh4 Cl4 2.449(6) . ?
N1 C17 1.338(16) . ?
N1 C21 1.351(17) . ?
N2 C31 1.324(17) . ?
N2 C27 1.358(17) . ?
N2 Rh1 2.122(10) 2_557 ?
N3 C22 1.313(17) . ?
N3 C26 1.368(17) . ?
N4 C36 1.32(2) . ?
N4 C32 1.33(2) . ?
N4 Rh4 2.136(12) 2_557 ?
S1 O3 1.396(17) . ?
S1 O2 1.408(17) . ?
S1 O1 1.424(18) . ?
S1 C77 1.64(3) . ?
S1' O2' 1.406(19) . ?
S1' O1' 1.43(5) . ?
S1' O3' 1.58(5) . ?
S1' C77 1.787(17) . ?
F1 C77 1.312(17) . ?
F2 C77 1.374(19) . ?
F3 C77 1.329(17) . ?
C1 C2 1.385(19) . ?
C1 C14 1.414(17) . ?
C1 C19 1.485(17) . ?
C2 C3 1.398(18) . ?
C3 C4 1.410(18) . ?
C3 C24 1.486(19) . ?
C4 C5 1.423(18) . ?
C4 C15 1.428(18) . ?
C5 C6 1.327(18) . ?
C6 C7 1.423(19) . ?
C7 C8 1.401(18) . ?
C7 C16 1.434(17) . ?
C8 C9 1.386(19) . ?
C8 C29 1.493(18) . ?
C9 C10 1.396(17) . ?
C10 C11 1.415(17) . ?
C10 C34 1.507(19) . ?
C11 C16 1.420(18) . ?
C11 C12 1.426(18) . ?
C12 C13 1.349(17) . ?
C13 C14 1.427(19) . ?
C14 C15 1.419(17) . ?
C15 C16 1.446(17) . ?
C17 C18 1.364(18) . ?
C18 C19 1.395(17) . ?
C19 C20 1.384(17) . ?
C20 C21 1.369(18) . ?
C22 C23 1.363(19) . ?
C23 C24 1.405(19) . ?
C24 C25 1.330(19) . ?
C25 C26 1.392(19) . ?
C27 C28 1.363(19) . ?
C28 C29 1.345(19) . ?
C29 C30 1.400(18) . ?
C30 C31 1.393(17) . ?
C32 C33 1.36(2) . ?
C33 C34 1.383(19) . ?
C34 C35 1.366(19) . ?
C35 C36 1.38(2) . ?
C37 C38 1.40(2) . ?
C37 C41 1.45(2) . ?
C37 C42 1.49(2) . ?
C38 C39 1.43(2) . ?
C38 C43 1.50(2) . ?
C39 C40 1.43(2) . ?
C39 C44 1.48(2) . ?
C40 C41 1.42(2) . ?
C40 C45 1.49(2) . ?
C41 C46 1.47(3) . ?
C47 C48 1.38(2) . ?
C47 C51 1.47(2) . ?
C47 C52 1.53(2) . ?
C48 C49 1.44(2) . ?
C48 C53 1.50(2) . ?
C49 C50 1.42(2) . ?
C49 C54 1.48(2) . ?
C50 C51 1.40(2) . ?
C50 C55 1.47(2) . ?
C51 C56 1.49(2) . ?
C57 C61 1.37(3) . ?
C57 C58 1.43(3) . ?
C57 C62 1.52(3) . ?
C58 C59 1.45(3) . ?
C58 C63 1.50(3) . ?
C59 C60 1.36(3) . ?
C59 C64 1.49(3) . ?
C60 C61 1.44(2) . ?
C60 C65 1.55(3) . ?
C61 C66 1.50(3) . ?
C67 C68 1.45(4) . ?
C67 C71 1.47(3) . ?
C67 C72 1.50(3) . ?
C68 C69 1.32(4) . ?
C68 C73 1.46(4) . ?
C69 C70 1.44(4) . ?
C69 C74 1.50(4) . ?
C70 C71 1.38(3) . ?
C70 C75 1.52(4) . ?
C71 C76 1.49(4) . ?
S2 C78 0.82(4) . ?
S2 O6 1.356(17) . ?
S2 O5 1.374(16) . ?
S2 O4 1.384(16) . ?
S2 C78 1.80(2) 2_676 ?
O4 C78 1.57(7) . ?
O5 C78 1.49(6) . ?
O6 C78 1.80(7) . ?
C78 C78 1.04(6) 2_676 ?
C78 S2 1.80(2) 2_676 ?

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
C51 Rh1 N2 117.1(6) . 2_557 ?
C51 Rh1 C48 65.8(6) . . ?
N2 Rh1 C48 142.6(6) 2_557 . ?
C51 Rh1 C47 40.3(7) . . ?
N2 Rh1 C47 156.9(6) 2_557 . ?
C48 Rh1 C47 37.5(6) . . ?
C51 Rh1 C50 38.2(6) . . ?
N2 Rh1 C50 93.9(5) 2_557 . ?
C48 Rh1 C50 65.3(6) . . ?
C47 Rh1 C50 64.8(6) . . ?
C51 Rh1 C49 64.8(6) . . ?
N2 Rh1 C49 105.2(5) 2_557 . ?
C48 Rh1 C49 39.4(6) . . ?
C47 Rh1 C49 64.1(6) . . ?
C50 Rh1 C49 38.5(6) . . ?
C51 Rh1 Cl1 99.2(4) . . ?
N2 Rh1 Cl1 86.0(3) 2_557 . ?
C48 Rh1 Cl1 131.3(5) . . ?
C47 Rh1 Cl1 100.9(5) . . ?
C50 Rh1 Cl1 130.2(4) . . ?
C49 Rh1 Cl1 163.3(4) . . ?
C51 Rh1 Cl2 151.4(5) . . ?
N2 Rh1 Cl2 91.5(3) 2_557 . ?
C48 Rh1 Cl2 91.3(4) . . ?
C47 Rh1 Cl2 111.1(5) . . ?
C50 Rh1 Cl2 146.7(5) . . ?
C49 Rh1 Cl2 108.6(4) . . ?
Cl1 Rh1 Cl2 82.96(12) . . ?
C37 Rh2 N1 117.6(6) . . ?
C37 Rh2 C39 65.3(6) . . ?
N1 Rh2 C39 103.7(5) . . ?
C37 Rh2 C38 38.5(6) . . ?
N1 Rh2 C38 93.1(5) . . ?
C39 Rh2 C38 38.8(6) . . ?
C37 Rh2 C41 39.7(7) . . ?
N1 Rh2 C41 156.5(6) . . ?
C39 Rh2 C41 64.6(7) . . ?
C38 Rh2 C41 64.7(7) . . ?
C37 Rh2 C40 65.5(6) . . ?
N1 Rh2 C40 140.3(6) . . ?
C39 Rh2 C40 38.6(7) . . ?
C38 Rh2 C40 64.7(7) . . ?
C41 Rh2 C40 38.2(6) . . ?
C37 Rh2 Cl2 155.4(5) . . ?
N1 Rh2 Cl2 87.0(3) . . ?
C39 Rh2 Cl2 109.6(5) . . ?
C38 Rh2 Cl2 147.3(5) . . ?
C41 Rh2 Cl2 115.7(5) . . ?
C40 Rh2 Cl2 95.1(5) . . ?
C37 Rh2 Cl1 96.2(5) . . ?
N1 Rh2 Cl1 91.6(3) . . ?
C39 Rh2 Cl1 160.0(5) . . ?
C38 Rh2 Cl1 128.9(5) . . ?
C41 Rh2 Cl1 96.4(5) . . ?
C40 Rh2 Cl1 128.1(5) . . ?
Cl2 Rh2 Cl1 83.71(12) . . ?
C60 Rh3 C59 37.1(8) . . ?
C60 Rh3 C57 64.6(7) . . ?
C59 Rh3 C57 64.8(7) . . ?
C60 Rh3 N3 110.6(6) . . ?
C59 Rh3 N3 92.5(6) . . ?
C57 Rh3 N3 148.7(7) . . ?
C60 Rh3 C58 64.7(7) . . ?
C59 Rh3 C58 39.6(7) . . ?
C57 Rh3 C58 38.9(7) . . ?
N3 Rh3 C58 110.0(6) . . ?
C60 Rh3 C61 39.1(7) . . ?
C59 Rh3 C61 63.3(8) . . ?
C57 Rh3 C61 36.9(8) . . ?
N3 Rh3 C61 149.8(6) . . ?
C58 Rh3 C61 63.4(7) . . ?
C60 Rh3 Cl4 158.4(5) . . ?
C59 Rh3 Cl4 140.5(6) . . ?
C57 Rh3 Cl4 94.6(6) . . ?
N3 Rh3 Cl4 90.1(3) . . ?
C58 Rh3 Cl4 103.3(5) . . ?
C61 Rh3 Cl4 120.1(5) . . ?
C60 Rh3 Cl3 103.1(6) . . ?
C59 Rh3 Cl3 136.0(6) . . ?
C57 Rh3 Cl3 124.9(6) . . ?
N3 Rh3 Cl3 86.4(3) . . ?
C58 Rh3 Cl3 162.0(5) . . ?
C61 Rh3 Cl3 98.6(6) . . ?
Cl4 Rh3 Cl3 83.57(17) . . ?
C68 Rh4 C67 40.1(10) . . ?
C68 Rh4 N4 130.3(11) . 2_557 ?
C67 Rh4 N4 97.3(7) . 2_557 ?
C68 Rh4 C69 36.3(10) . . ?
C67 Rh4 C69 65.1(9) . . ?
N4 Rh4 C69 162.0(7) 2_557 . ?
C68 Rh4 C71 64.6(11) . . ?
C67 Rh4 C71 40.2(9) . . ?
N4 Rh4 C71 101.2(8) 2_557 . ?
C69 Rh4 C71 63.5(10) . . ?
C68 Rh4 C70 63.4(13) . . ?
C67 Rh4 C70 65.7(11) . . ?
N4 Rh4 C70 132.6(10) 2_557 . ?
C69 Rh4 C70 38.8(10) . . ?
C71 Rh4 C70 37.2(9) . . ?
C68 Rh4 Cl3 137.6(10) . . ?
C67 Rh4 Cl3 154.0(8) . . ?
N4 Rh4 Cl3 92.1(4) 2_557 . ?
C69 Rh4 Cl3 102.7(8) . . ?
C71 Rh4 Cl3 114.2(8) . . ?
C70 Rh4 Cl3 90.2(8) . . ?
C68 Rh4 Cl4 96.0(9) . . ?
C67 Rh4 Cl4 120.9(8) . . ?
N4 Rh4 Cl4 86.9(4) 2_557 . ?
C69 Rh4 Cl4 104.6(8) . . ?
C71 Rh4 Cl4 159.8(8) . . ?
C70 Rh4 Cl4 140.3(9) . . ?
Cl3 Rh4 Cl4 83.61(14) . . ?
Rh2 Cl1 Rh1 96.45(12) . . ?
Rh2 Cl2 Rh1 96.76(12) . . ?
Rh4 Cl3 Rh3 96.37(17) . . ?
Rh3 Cl4 Rh4 96.42(18) . . ?
C17 N1 C21 117.7(11) . . ?
C17 N1 Rh2 122.4(9) . . ?
C21 N1 Rh2 118.4(8) . . ?
C31 N2 C27 117.4(11) . . ?
C31 N2 Rh1 120.9(9) . 2_557 ?
C27 N2 Rh1 121.6(9) . 2_557 ?
C22 N3 C26 119.5(12) . . ?
C22 N3 Rh3 121.8(9) . . ?
C26 N3 Rh3 118.5(10) . . ?
C36 N4 C32 116.8(14) . . ?
C36 N4 Rh4 122.6(11) . 2_557 ?
C32 N4 Rh4 120.2(11) . 2_557 ?
O3 S1 O2 120.5(19) . . ?
O3 S1 O1 118(2) . . ?
O2 S1 O1 115(2) . . ?
O3 S1 C77 95(2) . . ?
O2 S1 C77 99(4) . . ?
O1 S1 C77 102(4) . . ?
O2' S1' O1' 117(4) . . ?
O2' S1' O3' 105(3) . . ?
O1' S1' O3' 104(2) . . ?
O2' S1' C77 117(4) . . ?
O1' S1' C77 106(4) . . ?
O3' S1' C77 107(2) . . ?
C2 C1 C14 118.1(12) . . ?
C2 C1 C19 117.8(11) . . ?
C14 C1 C19 124.1(11) . . ?
C1 C2 C3 123.8(12) . . ?
C2 C3 C4 118.3(12) . . ?
C2 C3 C24 120.2(12) . . ?
C4 C3 C24 121.4(12) . . ?
C3 C4 C5 122.7(12) . . ?
C3 C4 C15 118.8(12) . . ?
C5 C4 C15 118.4(11) . . ?
C6 C5 C4 121.2(12) . . ?
C5 C6 C7 123.0(12) . . ?
C8 C7 C6 124.6(11) . . ?
C8 C7 C16 117.5(12) . . ?
C6 C7 C16 117.9(11) . . ?
C9 C8 C7 120.5(12) . . ?
C9 C8 C29 118.8(12) . . ?
C7 C8 C29 120.4(12) . . ?
C8 C9 C10 122.2(11) . . ?
C9 C10 C11 118.9(11) . . ?
C9 C10 C34 117.8(11) . . ?
C11 C10 C34 123.3(11) . . ?
C10 C11 C16 118.6(11) . . ?
C10 C11 C12 123.7(12) . . ?
C16 C11 C12 117.7(11) . . ?
C13 C12 C11 121.9(12) . . ?
C12 C13 C14 122.4(12) . . ?
C1 C14 C15 119.4(11) . . ?
C1 C14 C13 123.0(11) . . ?
C15 C14 C13 117.6(11) . . ?
C14 C15 C4 120.5(11) . . ?
C14 C15 C16 119.8(11) . . ?
C4 C15 C16 119.7(11) . . ?
C11 C16 C7 121.2(11) . . ?
C11 C16 C15 120.2(11) . . ?
C7 C16 C15 118.5(12) . . ?
N1 C17 C18 122.9(12) . . ?
C17 C18 C19 120.4(12) . . ?
C20 C19 C18 116.0(11) . . ?
C20 C19 C1 123.1(11) . . ?
C18 C19 C1 120.7(11) . . ?
C21 C20 C19 121.3(12) . . ?
N1 C21 C20 121.7(12) . . ?
N3 C22 C23 121.6(13) . . ?
C22 C23 C24 120.2(13) . . ?
C25 C24 C23 117.7(13) . . ?
C25 C24 C3 122.5(12) . . ?
C23 C24 C3 119.5(12) . . ?
C24 C25 C26 121.0(13) . . ?
N3 C26 C25 119.8(13) . . ?
N2 C27 C28 122.9(12) . . ?
C29 C28 C27 120.9(13) . . ?
C28 C29 C30 116.8(12) . . ?
C28 C29 C8 123.6(13) . . ?
C30 C29 C8 119.5(12) . . ?
C31 C30 C29 120.2(12) . . ?
N2 C31 C30 121.6(12) . . ?
N4 C32 C33 123.5(16) . . ?
C32 C33 C34 120.3(15) . . ?
C35 C34 C33 115.8(14) . . ?
C35 C34 C10 121.4(12) . . ?
C33 C34 C10 122.5(13) . . ?
C34 C35 C36 120.9(15) . . ?
N4 C36 C35 122.6(15) . . ?
C38 C37 C41 107.9(15) . . ?
C38 C37 C42 127.4(17) . . ?
C41 C37 C42 124.3(16) . . ?
C38 C37 Rh2 72.4(8) . . ?
C41 C37 Rh2 72.4(8) . . ?
C42 C37 Rh2 125.6(11) . . ?
C37 C38 C39 108.2(15) . . ?
C37 C38 C43 127.5(17) . . ?
C39 C38 C43 124.3(16) . . ?
C37 C38 Rh2 69.1(8) . . ?
C39 C38 Rh2 70.3(9) . . ?
C43 C38 Rh2 125.6(11) . . ?
C38 C39 C40 108.6(15) . . ?
C38 C39 C44 126.8(17) . . ?
C40 C39 C44 124.4(17) . . ?
C38 C39 Rh2 70.9(8) . . ?
C40 C39 Rh2 72.3(9) . . ?
C44 C39 Rh2 126.3(12) . . ?
C41 C40 C39 107.4(15) . . ?
C41 C40 C45 125.2(19) . . ?
C39 C40 C45 127.4(19) . . ?
C41 C40 Rh2 70.3(8) . . ?
C39 C40 Rh2 69.1(8) . . ?
C45 C40 Rh2 125.8(12) . . ?
C40 C41 C37 107.7(15) . . ?
C40 C41 C46 127.2(18) . . ?
C37 C41 C46 125.1(18) . . ?
C40 C41 Rh2 71.5(8) . . ?
C37 C41 Rh2 67.9(8) . . ?
C46 C41 Rh2 125.5(13) . . ?
C48 C47 C51 108.2(15) . . ?
C48 C47 C52 128.1(19) . . ?
C51 C47 C52 123.7(18) . . ?
C48 C47 Rh1 70.6(8) . . ?
C51 C47 Rh1 68.4(8) . . ?
C52 C47 Rh1 125.1(12) . . ?
C47 C48 C49 108.2(15) . . ?
C47 C48 C53 127.1(18) . . ?
C49 C48 C53 124.4(17) . . ?
C47 C48 Rh1 72.0(8) . . ?
C49 C48 Rh1 71.1(8) . . ?
C53 C48 Rh1 127.6(12) . . ?
C50 C49 C48 107.6(13) . . ?
C50 C49 C54 125.9(15) . . ?
C48 C49 C54 126.4(16) . . ?
C50 C49 Rh1 70.7(7) . . ?
C48 C49 Rh1 69.5(7) . . ?
C54 C49 Rh1 123.1(12) . . ?
C51 C50 C49 108.7(14) . . ?
C51 C50 C55 125.8(17) . . ?
C49 C50 C55 125.4(15) . . ?
C51 C50 Rh1 69.3(8) . . ?
C49 C50 Rh1 70.8(8) . . ?
C55 C50 Rh1 128.2(11) . . ?
C50 C51 C47 107.1(15) . . ?
C50 C51 C56 128.6(18) . . ?
C47 C51 C56 123.8(17) . . ?
C50 C51 Rh1 72.5(9) . . ?
C47 C51 Rh1 71.2(9) . . ?
C56 C51 Rh1 127.5(12) . . ?
C61 C57 C58 108.9(17) . . ?
C61 C57 C62 122(2) . . ?
C58 C57 C62 128(2) . . ?
C61 C57 Rh3 73.0(11) . . ?
C58 C57 Rh3 71.0(9) . . ?
C62 C57 Rh3 127.3(14) . . ?
C57 C58 C59 105.5(17) . . ?
C57 C58 C63 126.3(19) . . ?
C59 C58 C63 128.1(19) . . ?
C57 C58 Rh3 70.2(9) . . ?
C59 C58 Rh3 69.7(9) . . ?
C63 C58 Rh3 126.4(14) . . ?
C60 C59 C58 109.2(16) . . ?
C60 C59 C64 129(2) . . ?
C58 C59 C64 122(2) . . ?
C60 C59 Rh3 71.2(10) . . ?
C58 C59 Rh3 70.7(9) . . ?
C64 C59 Rh3 125.2(14) . . ?
C59 C60 C61 107.7(18) . . ?
C59 C60 C65 126.1(19) . . ?
C61 C60 C65 126(2) . . ?
C59 C60 Rh3 71.7(11) . . ?
C61 C60 Rh3 72.2(10) . . ?
C65 C60 Rh3 123.8(12) . . ?
C57 C61 C60 108.5(18) . . ?
C57 C61 C66 130(2) . . ?
C60 C61 C66 121(2) . . ?
C57 C61 Rh3 70.0(11) . . ?
C60 C61 Rh3 68.7(9) . . ?
C66 C61 Rh3 124.7(15) . . ?
C68 C67 C71 103(2) . . ?
C68 C67 C72 132(3) . . ?
C71 C67 C72 125(2) . . ?
C68 C67 Rh4 69.5(11) . . ?
C71 C67 Rh4 71.5(11) . . ?
C72 C67 Rh4 128.5(16) . . ?
C69 C68 C67 112(3) . . ?
C69 C68 C73 129(3) . . ?
C67 C68 C73 119(3) . . ?
C69 C68 Rh4 73.7(13) . . ?
C67 C68 Rh4 70.3(11) . . ?
C73 C68 Rh4 122(2) . . ?
C68 C69 C70 109(3) . . ?
C68 C69 C74 125(3) . . ?
C70 C69 C74 125(3) . . ?
C68 C69 Rh4 70.1(14) . . ?
C70 C69 Rh4 71.8(14) . . ?
C74 C69 Rh4 123.9(17) . . ?
C71 C70 C69 107(3) . . ?
C71 C70 C75 131(3) . . ?
C69 C70 C75 123(3) . . ?
C71 C70 Rh4 70.5(15) . . ?
C69 C70 Rh4 69.4(15) . . ?
C75 C70 Rh4 125.9(19) . . ?
C70 C71 C67 110(3) . . ?
C70 C71 C76 124(3) . . ?
C67 C71 C76 127(3) . . ?
C70 C71 Rh4 72.3(15) . . ?
C67 C71 Rh4 68.3(12) . . ?
C76 C71 Rh4 125.5(17) . . ?
F1 C77 F3 108(2) . . ?
F1 C77 F2 93(3) . . ?
F3 C77 F2 94(3) . . ?
F1 C77 S1 117(2) . . ?
F3 C77 S1 114(2) . . ?
F2 C77 S1 127(2) . . ?
F1 C77 S1' 121.4(19) . . ?
F3 C77 S1' 130(2) . . ?
F2 C77 S1' 92(2) . . ?
C78 S2 O6 110(6) . . ?
C78 S2 O5 82(5) . . ?
O6 S2 O5 122.9(19) . . ?
C78 S2 O4 87(6) . . ?
O6 S2 O4 122.5(19) . . ?
O5 S2 O4 113.5(17) . . ?
C78 S2 C78 16(7) . 2_676 ?
O6 S2 C78 97(3) . 2_676 ?
O5 S2 C78 97(3) . 2_676 ?
O4 S2 C78 86(3) . 2_676 ?
S2 O4 C78 31.3(19) . . ?
S2 O5 C78 33(2) . . ?
S2 O6 C78 25(2) . . ?
S2 C78 C78 151(10) . 2_676 ?
S2 C78 O5 66(4) . . ?
C78 C78 O5 141(10) 2_676 . ?
S2 C78 O4 61(4) . . ?
C78 C78 O4 113(9) 2_676 . ?
O5 C78 O4 97(3) . . ?
S2 C78 S2 164(7) . 2_676 ?
C78 C78 S2 13(6) 2_676 2_676 ?
O5 C78 S2 129(4) . 2_676 ?
O4 C78 S2 116(4) . 2_676 ?
S2 C78 O6 45(4) . . ?
C78 C78 O6 110(9) 2_676 . ?
O5 C78 O6 93(3) . . ?
O4 C78 O6 90(3) . . ?
S2 C78 O6 121(3) 2_676 . ?

_refine_diff_density_max         3.912
_refine_diff_density_min         -2.927
_refine_diff_density_rms         0.166

####################################################################### 
# 
# 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_4a
_database_code_depnum_ccdc_archive 'CCDC 1536193'
_audit_update_record             
;
2017-03-06 deposited with the CCDC.
2017-03-29 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            4a
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C148 H178 Cl8 F24 N26 Ni2 O24 Rh8 S8'
_chemical_formula_weight         4641.93

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'
Ni Ni -3.0029 0.5091 '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'
Cl Cl 0.3639 0.7018 '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                   11.9791(7)
_cell_length_b                   19.0988(10)
_cell_length_c                   21.5260(11)
_cell_angle_alpha                89.438(3)
_cell_angle_beta                 83.265(3)
_cell_angle_gamma                83.267(3)
_cell_volume                     4857.1(5)
_cell_formula_units_Z            1
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9878
_cell_measurement_theta_min      3.12
_cell_measurement_theta_max      66.69

_exptl_crystal_description       rod
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.587
_exptl_crystal_F_000             2336
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.320
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.060
_exptl_absorpt_coefficient_mu    8.128
_shelx_estimated_absorpt_T_min   0.181
_shelx_estimated_absorpt_T_max   0.641
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.074
_exptl_absorpt_correction_T_max  0.219
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(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            40973
_diffrn_reflns_av_unetI/netI     0.0749
_diffrn_reflns_av_R_equivalents  0.0574
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.329
_diffrn_reflns_theta_max         66.869
_diffrn_reflns_theta_full        66.869
_diffrn_measured_fraction_theta_max 0.915
_diffrn_measured_fraction_theta_full 0.915
_diffrn_reflns_Laue_measured_fraction_max 0.915
_diffrn_reflns_Laue_measured_fraction_full 0.915
_diffrn_reflns_point_group_measured_fraction_max 0.915
_diffrn_reflns_point_group_measured_fraction_full 0.915
_reflns_number_total             15800
_reflns_number_gt                10998
_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          
; 
 F8 was refined isotropically and other non-hydrogen atoms 
 were refined anisotropically. 13 ISOR, 1 DELU and 10 DFIX 
 instructions were used to restrain anions, solvents and Cp* 
 fragments so that there were 89 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)+(0.1365P)²+56.3296P] 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         15800
_refine_ls_number_parameters     1035
_refine_ls_number_restraints     89
_refine_ls_R_factor_all          0.1278
_refine_ls_R_factor_gt           0.1035
_refine_ls_wR_factor_ref         0.2944
_refine_ls_wR_factor_gt          0.2789
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_restrained_S_all      1.086
_refine_ls_shift/su_max          0.005
_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
1 -0.072 0.056 0.500 1110.5 199.7
_platon_squeeze_details          
; 
 In asymmetric unit of this data, there were disordered 
 anion and solvent (one triflate anion and one acetonitrile 
 molecule) 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 0.43728(8) 0.21929(4) 0.16460(4) 0.0434(3) Uani 1 1 d . . . . .
Rh2 Rh 0.70379(8) 0.10940(4) 0.12707(4) 0.0395(2) Uani 1 1 d . . . . .
Rh3 Rh 0.81391(9) 0.73428(5) 0.39564(4) 0.0477(3) Uani 1 1 d . . . . .
Rh4 Rh 1.08640(9) 0.62228(5) 0.36985(4) 0.0464(3) Uani 1 1 d . . . . .
Ni1 Ni 0.85845(16) 0.55664(9) 0.01089(8) 0.0367(4) Uani 1 1 d . . . . .
Cl1 Cl 0.5929(3) 0.16654(14) 0.22007(14) 0.0459(6) Uani 1 1 d . . . . .
Cl2 Cl 0.5437(2) 0.15823(13) 0.07296(13) 0.0433(6) Uani 1 1 d . . . . .
Cl3 Cl 1.0059(3) 0.74218(15) 0.34466(14) 0.0539(8) Uani 1 1 d . . . . .
Cl4 Cl 0.8988(3) 0.61677(16) 0.42632(14) 0.0517(7) Uani 1 1 d . . . . .
N1 N 0.5303(9) 0.3056(5) 0.1411(5) 0.049(2) Uani 1 1 d . . . . .
N2 N 0.7655(8) 0.4886(4) 0.0405(4) 0.038(2) Uani 1 1 d . . . . .
H2 H 0.7536 0.4576 0.0128 0.045 Uiso 1 1 calc R U . . .
N3 N 0.7186(9) 0.5224(5) 0.1469(4) 0.041(2) Uani 1 1 d . . . . .
N4 N 0.8257(8) 0.6021(5) 0.0873(5) 0.041(2) Uani 1 1 d . . . . .
H4 H 0.8506 0.6435 0.0892 0.049 Uiso 1 1 calc R U . . .
N5 N 0.7790(9) 0.6881(5) 0.3117(5) 0.043(2) Uani 1 1 d . . . . .
N6 N 1.2186(8) 0.7972(5) -0.1089(5) 0.043(2) Uani 1 1 d . . . . .
N7 N 0.9533(8) 0.6237(5) -0.0169(5) 0.040(2) Uani 1 1 d . . . . .
H7 H 0.9588 0.6567 0.0104 0.049 Uiso 1 1 calc R U . . .
N8 N 1.0186(8) 0.5846(4) -0.1204(4) 0.035(2) Uani 1 1 d . . . . .
N9 N 0.8906(8) 0.5127(4) -0.0672(4) 0.038(2) Uani 1 1 d . . . . .
H9 H 0.8568 0.4749 -0.0718 0.045 Uiso 1 1 calc R U . . .
N10 N 0.9676(9) 0.4169(5) -0.2871(4) 0.043(2) Uani 1 1 d . . . . .
S1 S 0.6844(3) 0.34509(16) 0.89801(15) 0.0485(7) Uani 1 1 d . . . . .
S2 S 0.8922(3) 0.82433(16) 0.08010(16) 0.0533(8) Uani 1 1 d . . . . .
S3 S 0.9573(10) 0.3010(5) 0.3287(4) 0.162(3) Uani 1 1 d D U . . .
O1 O 0.6385(9) 0.2907(5) 0.9364(5) 0.063(3) Uani 1 1 d . . . . .
O2 O 0.7368(9) 0.3240(5) 0.8380(5) 0.059(2) Uani 1 1 d . . . . .
O3 O 0.7428(8) 0.3908(4) 0.9303(4) 0.052(2) Uani 1 1 d . . . . .
O4 O 0.9115(10) 0.8674(5) 0.0272(5) 0.068(3) Uani 1 1 d . . . . .
O5 O 0.9060(9) 0.7500(5) 0.0672(4) 0.058(2) Uani 1 1 d . . . . .
O6 O 0.7959(9) 0.8470(5) 0.1244(5) 0.067(3) Uani 1 1 d . . . . .
O7 O 0.858(2) 0.3269(15) 0.2950(11) 0.205(11) Uani 1 1 d D U . . .
O8 O 0.891(3) 0.2810(17) 0.3874(9) 0.249(14) Uani 1 1 d D U . . .
O9 O 1.045(3) 0.3413(16) 0.3342(19) 0.267(16) Uani 1 1 d D U . . .
F1 F 0.5828(9) 0.4606(5) 0.8564(4) 0.086(3) Uani 1 1 d . . . . .
F2 F 0.5032(9) 0.3692(6) 0.8416(5) 0.099(4) Uani 1 1 d . . . . .
F3 F 0.4883(8) 0.4169(6) 0.9329(5) 0.086(3) Uani 1 1 d . . . . .
F4 F 1.1094(7) 0.8131(4) 0.0920(4) 0.063(2) Uani 1 1 d . . . . .
F5 F 1.0118(9) 0.9000(4) 0.1421(5) 0.081(3) Uani 1 1 d . . . . .
F6 F 1.0041(9) 0.7956(5) 0.1762(4) 0.080(3) Uani 1 1 d . . . . .
F7 F 0.9183(19) 0.1778(10) 0.2936(9) 0.185(8) Uani 1 1 d D . . . .
F8 F 1.047(3) 0.231(2) 0.242(2) 0.314(17) Uiso 1 1 d . . . . .
F9 F 1.067(2) 0.1870(14) 0.3276(10) 0.227(12) Uani 1 1 d . . . . .
C1 C 0.5381(10) 0.3324(6) 0.0846(5) 0.042(3) Uani 1 1 d . . . . .
H1 H 0.5039 0.3100 0.0537 0.050 Uiso 1 1 calc R U . . .
C2 C 0.5923(12) 0.3908(6) 0.0666(7) 0.053(3) Uani 1 1 d . . . . .
H2A H 0.5915 0.4098 0.0257 0.063 Uiso 1 1 calc R U . . .
C3 C 0.6497(9) 0.4213(6) 0.1129(5) 0.038(2) Uani 1 1 d . . . . .
C4 C 0.6401(12) 0.3935(6) 0.1723(6) 0.049(3) Uani 1 1 d . . . . .
H4A H 0.6752 0.4129 0.2044 0.059 Uiso 1 1 calc R U . . .
C5 C 0.5780(12) 0.3362(6) 0.1849(6) 0.051(3) Uani 1 1 d . . . . .
H5 H 0.5695 0.3185 0.2263 0.061 Uiso 1 1 calc R U . . .
C6 C 0.7158(9) 0.4811(5) 0.0976(5) 0.034(2) Uani 1 1 d . . . . .
C7 C 0.7696(10) 0.5810(5) 0.1399(5) 0.037(2) Uani 1 1 d . . . . .
C8 C 0.7392(11) 0.6260(7) 0.3108(6) 0.048(3) Uani 1 1 d . . . . .
H8 H 0.7147 0.6048 0.3493 0.058 Uiso 1 1 calc R U . . .
C9 C 0.7324(11) 0.5911(6) 0.2554(6) 0.046(3) Uani 1 1 d . . . . .
H9A H 0.7057 0.5462 0.2562 0.055 Uiso 1 1 calc R U . . .
C10 C 0.7644(9) 0.6219(5) 0.1997(5) 0.035(2) Uani 1 1 d . . . . .
C11 C 0.7976(11) 0.6883(6) 0.2004(5) 0.045(3) Uani 1 1 d . . . . .
H11 H 0.8163 0.7122 0.1623 0.054 Uiso 1 1 calc R U . . .
C12 C 0.8033(13) 0.7203(6) 0.2575(6) 0.053(3) Uani 1 1 d . . . . .
H12 H 0.8252 0.7665 0.2579 0.063 Uiso 1 1 calc R U . . .
C13 C 1.2018(10) 0.7706(6) -0.0508(6) 0.041(3) Uani 1 1 d . . . . .
H13 H 1.2369 0.7900 -0.0187 0.050 Uiso 1 1 calc R U . . .
C14 C 1.1353(10) 0.7158(6) -0.0352(5) 0.038(2) Uani 1 1 d . . . . .
H14 H 1.1252 0.6983 0.0063 0.045 Uiso 1 1 calc R U . . .
C15 C 1.0844(9) 0.6881(6) -0.0832(6) 0.043(3) Uani 1 1 d . . . . .
C16 C 1.1025(12) 0.7140(6) -0.1419(5) 0.048(3) Uani 1 1 d . . . . .
H16 H 1.0710 0.6941 -0.1751 0.058 Uiso 1 1 calc R U . . .
C17 C 1.1668(12) 0.7696(7) -0.1537(6) 0.052(3) Uani 1 1 d . . . . .
H17 H 1.1746 0.7889 -0.1946 0.063 Uiso 1 1 calc R U . . .
C18 C 1.0123(9) 0.6286(5) -0.0707(5) 0.034(2) Uani 1 1 d . . . . .
C19 C 0.9558(10) 0.5304(6) -0.1152(6) 0.039(3) Uani 1 1 d . . . . .
C20 C 0.9410(11) 0.3863(6) -0.2332(6) 0.044(3) Uani 1 1 d . . . . .
H20 H 0.9218 0.3394 -0.2335 0.053 Uiso 1 1 calc R U . . .
C21 C 0.9399(10) 0.4196(6) -0.1761(5) 0.040(3) Uani 1 1 d . . . . .
H21 H 0.9198 0.3959 -0.1382 0.047 Uiso 1 1 calc R U . . .
C22 C 0.9679(9) 0.4870(5) -0.1748(5) 0.033(2) Uani 1 1 d . . . . .
C23 C 1.0016(10) 0.5180(6) -0.2327(6) 0.042(3) Uani 1 1 d . . . . .
H23 H 1.0254 0.5637 -0.2339 0.050 Uiso 1 1 calc R U . . .
C24 C 1.0000(11) 0.4824(6) -0.2866(6) 0.046(3) Uani 1 1 d . . . . .
H24 H 1.0223 0.5040 -0.3253 0.055 Uiso 1 1 calc R U . . .
C25 C 0.3058(13) 0.2475(9) 0.2388(8) 0.074(5) Uani 1 1 d D . . . .
C26 C 0.2781(12) 0.2844(8) 0.1808(9) 0.068(4) Uani 1 1 d . . . . .
C27 C 0.2696(14) 0.2338(12) 0.1374(9) 0.083(5) Uani 1 1 d . . . . .
C28 C 0.2876(13) 0.1664(10) 0.1643(12) 0.083(6) Uani 1 1 d . . . . .
C29 C 0.3096(14) 0.1733(8) 0.2252(10) 0.085(6) Uani 1 1 d D . . . .
C30 C 0.3207(19) 0.2829(16) 0.2956(13) 0.127(9) Uani 1 1 d . U . . .
H30A H 0.2465 0.2972 0.3191 0.191 Uiso 1 1 calc R U . . .
H30B H 0.3594 0.3246 0.2852 0.191 Uiso 1 1 calc R U . . .
H30C H 0.3662 0.2507 0.3211 0.191 Uiso 1 1 calc R U . . .
C31 C 0.2631(16) 0.3615(9) 0.1757(14) 0.116(8) Uani 1 1 d . U . . .
H31A H 0.3028 0.3756 0.1360 0.174 Uiso 1 1 calc R U . . .
H31B H 0.2943 0.3821 0.2105 0.174 Uiso 1 1 calc R U . . .
H31C H 0.1823 0.3783 0.1774 0.174 Uiso 1 1 calc R U . . .
C32 C 0.2467(17) 0.2417(16) 0.0696(12) 0.128(9) Uani 1 1 d . U . . .
H32A H 0.2467 0.2912 0.0572 0.193 Uiso 1 1 calc R U . . .
H32B H 0.1728 0.2264 0.0650 0.193 Uiso 1 1 calc R U . . .
H32C H 0.3059 0.2125 0.0429 0.193 Uiso 1 1 calc R U . . .
C33 C 0.283(2) 0.0950(12) 0.1374(16) 0.137(10) Uani 1 1 d . U . . .
H33A H 0.3351 0.0602 0.1565 0.206 Uiso 1 1 calc R U . . .
H33B H 0.3047 0.0958 0.0921 0.206 Uiso 1 1 calc R U . . .
H33C H 0.2057 0.0822 0.1459 0.206 Uiso 1 1 calc R U . . .
C34 C 0.335(2) 0.1187(15) 0.2756(14) 0.160(12) Uani 1 1 d D U . . .
H34A H 0.2653 0.1134 0.3030 0.240 Uiso 1 1 calc R U . . .
H34B H 0.3912 0.1345 0.3003 0.240 Uiso 1 1 calc R U . . .
H34C H 0.3649 0.0734 0.2557 0.240 Uiso 1 1 calc R U . . .
C35 C 0.7923(12) 0.0254(6) 0.1747(7) 0.052(3) Uani 1 1 d . . . . .
C36 C 0.6933(11) 0.0005(6) 0.1540(6) 0.047(3) Uani 1 1 d . . . . .
C37 C 0.7040(12) 0.0049(6) 0.0881(7) 0.053(3) Uani 1 1 d . . . . .
C38 C 0.8063(10) 0.0343(6) 0.0676(6) 0.045(3) Uani 1 1 d . . . . .
C39 C 0.8625(10) 0.0451(6) 0.1215(6) 0.042(3) Uani 1 1 d . . . . .
C40 C 0.8160(14) 0.0281(8) 0.2426(7) 0.062(4) Uani 1 1 d . . . . .
H40A H 0.8558 -0.0172 0.2539 0.093 Uiso 1 1 calc R U . . .
H40B H 0.7443 0.0375 0.2698 0.093 Uiso 1 1 calc R U . . .
H40C H 0.8632 0.0658 0.2477 0.093 Uiso 1 1 calc R U . . .
C41 C 0.5991(12) -0.0259(7) 0.1959(7) 0.056(3) Uani 1 1 d . . . . .
H41A H 0.5323 -0.0250 0.1735 0.084 Uiso 1 1 calc R U . . .
H41B H 0.5808 0.0044 0.2331 0.084 Uiso 1 1 calc R U . . .
H41C H 0.6225 -0.0743 0.2086 0.084 Uiso 1 1 calc R U . . .
C42 C 0.6241(12) -0.0174(7) 0.0472(7) 0.055(3) Uani 1 1 d . . . . .
H42A H 0.5515 -0.0222 0.0721 0.082 Uiso 1 1 calc R U . . .
H42B H 0.6550 -0.0628 0.0277 0.082 Uiso 1 1 calc R U . . .
H42C H 0.6127 0.0180 0.0145 0.082 Uiso 1 1 calc R U . . .
C43 C 0.8518(12) 0.0437(7) 0.0006(7) 0.060(4) Uani 1 1 d . . . . .
H43A H 0.8917 -0.0011 -0.0161 0.089 Uiso 1 1 calc R U . . .
H43B H 0.9043 0.0796 -0.0021 0.089 Uiso 1 1 calc R U . . .
H43C H 0.7890 0.0588 -0.0237 0.089 Uiso 1 1 calc R U . . .
C44 C 0.9740(10) 0.0707(7) 0.1244(6) 0.048(3) Uani 1 1 d . . . . .
H44A H 0.9819 0.0821 0.1679 0.072 Uiso 1 1 calc R U . . .
H44B H 0.9792 0.1130 0.0986 0.072 Uiso 1 1 calc R U . . .
H44C H 1.0345 0.0339 0.1088 0.072 Uiso 1 1 calc R U . . .
C45 C 0.6945(17) 0.7517(9) 0.4767(8) 0.079(5) Uani 1 1 d . . . . .
C46 C 0.7884(17) 0.7868(11) 0.4842(8) 0.083(6) Uani 1 1 d . . . . .
C47 C 0.7999(17) 0.8387(9) 0.4349(10) 0.085(6) Uani 1 1 d . . . . .
C48 C 0.7099(16) 0.8323(8) 0.3976(7) 0.069(5) Uani 1 1 d . . . . .
C49 C 0.6411(16) 0.7807(9) 0.4250(8) 0.074(4) Uani 1 1 d . . . . .
C50 C 0.649(2) 0.6971(13) 0.5193(12) 0.133(10) Uani 1 1 d . U . . .
H50A H 0.7074 0.6571 0.5217 0.200 Uiso 1 1 calc R U . . .
H50B H 0.5832 0.6809 0.5030 0.200 Uiso 1 1 calc R U . . .
H50C H 0.6257 0.7174 0.5611 0.200 Uiso 1 1 calc R U . . .
C51 C 0.866(2) 0.7753(16) 0.5350(11) 0.146(11) Uani 1 1 d . U . . .
H51A H 0.8523 0.7318 0.5576 0.219 Uiso 1 1 calc R U . . .
H51B H 0.8514 0.8153 0.5642 0.219 Uiso 1 1 calc R U . . .
H51C H 0.9452 0.7714 0.5160 0.219 Uiso 1 1 calc R U . . .
C52 C 0.886(2) 0.8902(12) 0.4234(14) 0.126(9) Uani 1 1 d . U . . .
H52A H 0.8563 0.9350 0.4442 0.189 Uiso 1 1 calc R U . . .
H52B H 0.9021 0.8980 0.3783 0.189 Uiso 1 1 calc R U . . .
H52C H 0.9560 0.8711 0.4401 0.189 Uiso 1 1 calc R U . . .
C53 C 0.685(2) 0.8788(11) 0.3423(11) 0.119(8) Uani 1 1 d . U . . .
H53A H 0.7562 0.8906 0.3197 0.178 Uiso 1 1 calc R U . . .
H53B H 0.6380 0.9222 0.3572 0.178 Uiso 1 1 calc R U . . .
H53C H 0.6445 0.8537 0.3142 0.178 Uiso 1 1 calc R U . . .
C54 C 0.5374(16) 0.7589(9) 0.4008(9) 0.087(6) Uani 1 1 d . . . . .
H54A H 0.5432 0.7073 0.3989 0.130 Uiso 1 1 calc R U . . .
H54B H 0.5316 0.7782 0.3588 0.130 Uiso 1 1 calc R U . . .
H54C H 0.4700 0.7769 0.4289 0.130 Uiso 1 1 calc R U . . .
C55 C 1.1777(12) 0.5881(8) 0.4477(6) 0.058(4) Uani 1 1 d . . . . .
C56 C 1.1999(13) 0.5371(9) 0.3966(7) 0.068(4) Uani 1 1 d . . . . .
C57 C 1.2574(13) 0.5714(8) 0.3441(7) 0.060(4) Uani 1 1 d . . . . .
C58 C 1.2603(13) 0.6424(9) 0.3621(7) 0.063(4) Uani 1 1 d . . . . .
C59 C 1.2114(13) 0.6530(8) 0.4242(8) 0.062(4) Uani 1 1 d . . . . .
C60 C 1.1261(14) 0.5721(8) 0.5129(7) 0.065(4) Uani 1 1 d . . . . .
H60A H 1.1852 0.5498 0.5369 0.097 Uiso 1 1 calc R U . . .
H60B H 1.0685 0.5401 0.5105 0.097 Uiso 1 1 calc R U . . .
H60C H 1.0910 0.6160 0.5336 0.097 Uiso 1 1 calc R U . . .
C61 C 1.1874(15) 0.4615(9) 0.4023(8) 0.075(5) Uani 1 1 d . . . . .
H61A H 1.1981 0.4399 0.3606 0.113 Uiso 1 1 calc R U . . .
H61B H 1.1116 0.4556 0.4227 0.113 Uiso 1 1 calc R U . . .
H61C H 1.2443 0.4386 0.4275 0.113 Uiso 1 1 calc R U . . .
C62 C 1.3026(14) 0.5399(9) 0.2833(8) 0.071(4) Uani 1 1 d . . . . .
H62A H 1.3044 0.5767 0.2513 0.106 Uiso 1 1 calc R U . . .
H62B H 1.2543 0.5050 0.2724 0.106 Uiso 1 1 calc R U . . .
H62C H 1.3795 0.5167 0.2855 0.106 Uiso 1 1 calc R U . . .
C63 C 1.3093(15) 0.6972(10) 0.3197(8) 0.076(5) Uani 1 1 d . . . . .
H63A H 1.2914 0.7436 0.3398 0.115 Uiso 1 1 calc R U . . .
H63B H 1.2768 0.6979 0.2800 0.115 Uiso 1 1 calc R U . . .
H63C H 1.3917 0.6857 0.3119 0.115 Uiso 1 1 calc R U . . .
C64 C 1.2010(18) 0.7214(9) 0.4626(8) 0.085(5) Uani 1 1 d . . . . .
H64A H 1.1596 0.7146 0.5038 0.128 Uiso 1 1 calc R U . . .
H64B H 1.1601 0.7597 0.4407 0.128 Uiso 1 1 calc R U . . .
H64C H 1.2768 0.7334 0.4676 0.128 Uiso 1 1 calc R U . . .
C65 C 0.5595(14) 0.3995(7) 0.8815(7) 0.060(4) Uani 1 1 d . . . . .
C66 C 1.0109(13) 0.8343(7) 0.1225(6) 0.054(3) Uani 1 1 d . . . . .
C67 C 1.0011(16) 0.2195(10) 0.2975(11) 0.108(7) Uani 1 1 d D U . . .
C69 C 0.449(2) 0.2146(15) 0.8258(12) 0.111(8) Uani 1 1 d D . . . .
C70 C 0.437(3) 0.2151(18) 0.8932(13) 0.167(15) Uani 1 1 d . . . . .
H70A H 0.3622 0.2016 0.9092 0.250 Uiso 1 1 calc R U . . .
H70B H 0.4434 0.2625 0.9082 0.250 Uiso 1 1 calc R U . . .
H70C H 0.4960 0.1815 0.9080 0.250 Uiso 1 1 calc R U . . .
N11 N 0.468(2) 0.2093(13) 0.7706(13) 0.144(9) Uani 1 1 d D . . . .
C71 C 0.304(2) 0.8923(13) 0.1594(13) 0.144(12) Uani 1 1 d D . . . .
C72 C 0.252(2) 0.8471(11) 0.2119(11) 0.119(8) Uani 1 1 d D . . . .
H72A H 0.2406 0.8014 0.1948 0.178 Uiso 1 1 calc R U . . .
H72B H 0.1790 0.8713 0.2301 0.178 Uiso 1 1 calc R U . . .
H72C H 0.3030 0.8396 0.2444 0.178 Uiso 1 1 calc R U . . .
N12 N 0.347(2) 0.9239(13) 0.1161(11) 0.151(11) Uani 1 1 d 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 2.120(10) . ?
Rh1 C25 2.132(15) . ?
Rh1 C27 2.144(17) . ?
Rh1 C26 2.145(13) . ?
Rh1 C29 2.153(16) . ?
Rh1 C28 2.159(15) . ?
Rh1 Cl1 2.445(3) . ?
Rh1 Cl2 2.446(3) . ?
Rh2 C38 2.111(11) . ?
Rh2 N6 2.119(10) 2_765 ?
Rh2 C39 2.131(11) . ?
Rh2 C35 2.139(11) . ?
Rh2 C36 2.167(11) . ?
Rh2 C37 2.173(12) . ?
Rh2 Cl2 2.447(3) . ?
Rh2 Cl1 2.458(3) . ?
Rh3 C48 2.122(14) . ?
Rh3 C45 2.125(16) . ?
Rh3 N5 2.125(9) . ?
Rh3 C46 2.137(13) . ?
Rh3 C47 2.154(14) . ?
Rh3 C49 2.178(18) . ?
Rh3 Cl3 2.450(4) . ?
Rh3 Cl4 2.470(3) . ?
Rh4 C56 2.114(14) . ?
Rh4 N10 2.136(9) 2_765 ?
Rh4 C59 2.141(15) . ?
Rh4 C58 2.150(15) . ?
Rh4 C55 2.161(13) . ?
Rh4 C57 2.174(16) . ?
Rh4 Cl4 2.440(4) . ?
Rh4 Cl3 2.459(3) . ?
Ni1 N4 1.847(10) . ?
Ni1 N7 1.858(10) . ?
Ni1 N9 1.865(9) . ?
Ni1 N2 1.869(9) . ?
N1 C1 1.312(16) . ?
N1 C5 1.331(16) . ?
N2 C6 1.316(15) . ?
N3 C6 1.333(14) . ?
N3 C7 1.336(15) . ?
N4 C7 1.331(15) . ?
N5 C8 1.330(16) . ?
N5 C12 1.331(16) . ?
N6 C13 1.347(16) . ?
N6 C17 1.348(16) . ?
N6 Rh2 2.119(10) 2_765 ?
N7 C18 1.292(15) . ?
N8 C19 1.345(15) . ?
N8 C18 1.356(14) . ?
N9 C19 1.288(16) . ?
N10 C20 1.315(16) . ?
N10 C24 1.353(15) . ?
N10 Rh4 2.136(9) 2_765 ?
S1 O2 1.409(10) . ?
S1 O3 1.416(9) . ?
S1 O1 1.440(10) . ?
S1 C65 1.788(16) . ?
S2 O4 1.411(11) . ?
S2 O6 1.435(11) . ?
S2 O5 1.436(9) . ?
S2 C66 1.808(15) . ?
S3 O9 1.393(16) . ?
S3 O8 1.482(16) . ?
S3 O7 1.501(16) . ?
S3 C67 1.702(16) . ?
F1 C65 1.328(17) . ?
F2 C65 1.329(18) . ?
F3 C65 1.333(18) . ?
F4 C66 1.303(16) . ?
F5 C66 1.329(15) . ?
F6 C66 1.364(16) . ?
F7 C67 1.352(16) . ?
F8 C67 1.28(4) . ?
F9 C67 1.19(3) . ?
C1 C2 1.385(18) . ?
C2 C3 1.440(17) . ?
C3 C4 1.377(17) . ?
C3 C6 1.478(16) . ?
C4 C5 1.401(17) . ?
C7 C10 1.502(15) . ?
C8 C9 1.387(17) . ?
C9 C10 1.363(17) . ?
C10 C11 1.375(16) . ?
C11 C12 1.390(17) . ?
C13 C14 1.404(16) . ?
C14 C15 1.399(16) . ?
C15 C16 1.354(18) . ?
C15 C18 1.510(15) . ?
C16 C17 1.388(17) . ?
C19 C22 1.517(14) . ?
C20 C21 1.389(16) . ?
C21 C22 1.369(15) . ?
C22 C23 1.411(16) . ?
C23 C24 1.354(17) . ?
C25 C30 1.44(3) . ?
C25 C29 1.445(16) . ?
C25 C26 1.48(2) . ?
C26 C27 1.37(2) . ?
C26 C31 1.47(2) . ?
C27 C28 1.41(3) . ?
C27 C32 1.52(3) . ?
C28 C29 1.38(3) . ?
C28 C33 1.50(3) . ?
C29 C34 1.529(17) . ?
C35 C39 1.415(19) . ?
C35 C36 1.447(18) . ?
C35 C40 1.523(19) . ?
C36 C37 1.412(19) . ?
C36 C41 1.492(18) . ?
C37 C38 1.430(19) . ?
C37 C42 1.474(19) . ?
C38 C39 1.436(17) . ?
C38 C43 1.50(2) . ?
C39 C44 1.484(17) . ?
C45 C46 1.40(3) . ?
C45 C49 1.42(2) . ?
C45 C50 1.49(3) . ?
C46 C47 1.45(3) . ?
C46 C51 1.52(3) . ?
C47 C48 1.44(3) . ?
C47 C52 1.51(3) . ?
C48 C49 1.44(2) . ?
C48 C53 1.52(3) . ?
C49 C54 1.51(3) . ?
C55 C59 1.42(2) . ?
C55 C56 1.46(2) . ?
C55 C60 1.51(2) . ?
C56 C57 1.45(2) . ?
C56 C61 1.47(2) . ?
C57 C58 1.42(2) . ?
C57 C62 1.46(2) . ?
C58 C59 1.40(2) . ?
C58 C63 1.51(2) . ?
C59 C64 1.54(2) . ?
C69 N11 1.19(2) . ?
C69 C70 1.44(3) . ?
C71 N12 1.20(2) . ?
C71 C72 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
N1 Rh1 C25 110.5(5) . . ?
N1 Rh1 C27 113.4(7) . . ?
C25 Rh1 C27 65.0(7) . . ?
N1 Rh1 C26 93.8(5) . . ?
C25 Rh1 C26 40.5(7) . . ?
C27 Rh1 C26 37.3(7) . . ?
N1 Rh1 C29 149.5(6) . . ?
C25 Rh1 C29 39.4(5) . . ?
C27 Rh1 C29 63.9(8) . . ?
C26 Rh1 C29 65.6(6) . . ?
N1 Rh1 C28 151.6(7) . . ?
C25 Rh1 C28 64.4(7) . . ?
C27 Rh1 C28 38.3(8) . . ?
C26 Rh1 C28 63.7(6) . . ?
C29 Rh1 C28 37.2(7) . . ?
N1 Rh1 Cl1 88.8(3) . . ?
C25 Rh1 Cl1 102.8(5) . . ?
C27 Rh1 Cl1 157.1(6) . . ?
C26 Rh1 Cl1 141.0(5) . . ?
C29 Rh1 Cl1 94.1(5) . . ?
C28 Rh1 Cl1 119.6(6) . . ?
N1 Rh1 Cl2 87.5(3) . . ?
C25 Rh1 Cl2 160.4(4) . . ?
C27 Rh1 Cl2 101.4(5) . . ?
C26 Rh1 Cl2 134.2(5) . . ?
C29 Rh1 Cl2 123.0(5) . . ?
C28 Rh1 Cl2 96.1(5) . . ?
Cl1 Rh1 Cl2 84.79(10) . . ?
C38 Rh2 N6 103.3(4) . 2_765 ?
C38 Rh2 C39 39.6(5) . . ?
N6 Rh2 C39 92.7(4) 2_765 . ?
C38 Rh2 C35 65.5(5) . . ?
N6 Rh2 C35 118.2(5) 2_765 . ?
C39 Rh2 C35 38.7(5) . . ?
C38 Rh2 C36 65.1(5) . . ?
N6 Rh2 C36 156.8(4) 2_765 . ?
C39 Rh2 C36 65.3(5) . . ?
C35 Rh2 C36 39.3(5) . . ?
C38 Rh2 C37 39.0(5) . . ?
N6 Rh2 C37 140.4(5) 2_765 . ?
C39 Rh2 C37 65.3(5) . . ?
C35 Rh2 C37 64.7(5) . . ?
C36 Rh2 C37 38.0(5) . . ?
C38 Rh2 Cl2 108.3(4) . . ?
N6 Rh2 Cl2 90.3(3) 2_765 . ?
C39 Rh2 Cl2 147.3(3) . . ?
C35 Rh2 Cl2 151.4(4) . . ?
C36 Rh2 Cl2 112.2(3) . . ?
C37 Rh2 Cl2 92.5(4) . . ?
C38 Rh2 Cl1 161.9(4) . . ?
N6 Rh2 Cl1 89.1(3) 2_765 . ?
C39 Rh2 Cl1 128.1(3) . . ?
C35 Rh2 Cl1 97.1(4) . . ?
C36 Rh2 Cl1 98.5(4) . . ?
C37 Rh2 Cl1 130.5(4) . . ?
Cl2 Rh2 Cl1 84.47(10) . . ?
C48 Rh3 C45 65.3(6) . . ?
C48 Rh3 N5 102.1(5) . . ?
C45 Rh3 N5 124.0(7) . . ?
C48 Rh3 C46 65.5(7) . . ?
C45 Rh3 C46 38.4(8) . . ?
N5 Rh3 C46 160.7(6) . . ?
C48 Rh3 C47 39.2(7) . . ?
C45 Rh3 C47 65.5(8) . . ?
N5 Rh3 C47 137.0(7) . . ?
C46 Rh3 C47 39.5(8) . . ?
C48 Rh3 C49 39.0(7) . . ?
C45 Rh3 C49 38.6(7) . . ?
N5 Rh3 C49 96.3(5) . . ?
C46 Rh3 C49 64.7(7) . . ?
C47 Rh3 C49 65.4(7) . . ?
C48 Rh3 Cl3 112.6(5) . . ?
C45 Rh3 Cl3 148.4(6) . . ?
N5 Rh3 Cl3 87.6(3) . . ?
C46 Rh3 Cl3 110.5(6) . . ?
C47 Rh3 Cl3 92.7(5) . . ?
C49 Rh3 Cl3 151.5(5) . . ?
C48 Rh3 Cl4 161.5(4) . . ?
C45 Rh3 Cl4 96.3(5) . . ?
N5 Rh3 Cl4 88.3(3) . . ?
C46 Rh3 Cl4 100.2(6) . . ?
C47 Rh3 Cl4 134.4(6) . . ?
C49 Rh3 Cl4 125.4(5) . . ?
Cl3 Rh3 Cl4 82.78(11) . . ?
C56 Rh4 N10 102.7(5) . 2_765 ?
C56 Rh4 C59 66.1(6) . . ?
N10 Rh4 C59 153.4(5) 2_765 . ?
C56 Rh4 C58 65.4(7) . . ?
N10 Rh4 C58 115.5(5) 2_765 . ?
C59 Rh4 C58 38.2(6) . . ?
C56 Rh4 C55 39.8(6) . . ?
N10 Rh4 C55 141.4(5) 2_765 . ?
C59 Rh4 C55 38.5(6) . . ?
C58 Rh4 C55 64.1(5) . . ?
C56 Rh4 C57 39.4(6) . . ?
N10 Rh4 C57 91.0(5) 2_765 . ?
C59 Rh4 C57 64.7(6) . . ?
C58 Rh4 C57 38.3(6) . . ?
C55 Rh4 C57 65.0(5) . . ?
C56 Rh4 Cl4 109.8(5) . . ?
N10 Rh4 Cl4 90.6(3) 2_765 . ?
C59 Rh4 Cl4 115.7(4) . . ?
C58 Rh4 Cl4 153.9(4) . . ?
C55 Rh4 Cl4 95.3(4) . . ?
C57 Rh4 Cl4 148.4(4) . . ?
C56 Rh4 Cl3 161.4(5) . . ?
N10 Rh4 Cl3 90.0(3) 2_765 . ?
C59 Rh4 Cl3 96.6(4) . . ?
C58 Rh4 Cl3 97.0(5) . . ?
C55 Rh4 Cl3 128.5(4) . . ?
C57 Rh4 Cl3 128.3(4) . . ?
Cl4 Rh4 Cl3 83.21(11) . . ?
N4 Ni1 N7 90.0(4) . . ?
N4 Ni1 N9 178.7(4) . . ?
N7 Ni1 N9 89.2(4) . . ?
N4 Ni1 N2 89.3(4) . . ?
N7 Ni1 N2 178.5(4) . . ?
N9 Ni1 N2 91.5(4) . . ?
Rh1 Cl1 Rh2 95.20(10) . . ?
Rh1 Cl2 Rh2 95.45(10) . . ?
Rh3 Cl3 Rh4 96.91(11) . . ?
Rh4 Cl4 Rh3 96.90(11) . . ?
C1 N1 C5 118.2(11) . . ?
C1 N1 Rh1 121.7(9) . . ?
C5 N1 Rh1 120.1(9) . . ?
C6 N2 Ni1 128.2(7) . . ?
C6 N3 C7 120.0(10) . . ?
C7 N4 Ni1 129.0(8) . . ?
C8 N5 C12 118.4(10) . . ?
C8 N5 Rh3 122.3(8) . . ?
C12 N5 Rh3 119.2(8) . . ?
C13 N6 C17 117.3(10) . . ?
C13 N6 Rh2 121.9(8) . 2_765 ?
C17 N6 Rh2 119.8(8) . 2_765 ?
C18 N7 Ni1 129.1(7) . . ?
C19 N8 C18 118.3(10) . . ?
C19 N9 Ni1 128.5(8) . . ?
C20 N10 C24 118.5(10) . . ?
C20 N10 Rh4 119.2(8) . 2_765 ?
C24 N10 Rh4 119.8(8) . 2_765 ?
O2 S1 O3 115.2(6) . . ?
O2 S1 O1 116.0(6) . . ?
O3 S1 O1 114.2(6) . . ?
O2 S1 C65 102.9(7) . . ?
O3 S1 C65 103.7(6) . . ?
O1 S1 C65 102.2(7) . . ?
O4 S2 O6 116.8(7) . . ?
O4 S2 O5 114.8(6) . . ?
O6 S2 O5 113.8(6) . . ?
O4 S2 C66 103.0(6) . . ?
O6 S2 C66 103.3(6) . . ?
O5 S2 C66 102.5(6) . . ?
O9 S3 O8 117(2) . . ?
O9 S3 O7 122(2) . . ?
O8 S3 O7 96.5(19) . . ?
O9 S3 C67 113.7(18) . . ?
O8 S3 C67 99.7(16) . . ?
O7 S3 C67 103.6(14) . . ?
N1 C1 C2 125.0(12) . . ?
C1 C2 C3 116.7(12) . . ?
C4 C3 C2 117.9(11) . . ?
C4 C3 C6 120.8(11) . . ?
C2 C3 C6 121.3(11) . . ?
C3 C4 C5 119.3(12) . . ?
N1 C5 C4 122.7(12) . . ?
N2 C6 N3 126.9(10) . . ?
N2 C6 C3 120.3(9) . . ?
N3 C6 C3 112.8(10) . . ?
N4 C7 N3 125.9(10) . . ?
N4 C7 C10 120.6(10) . . ?
N3 C7 C10 113.4(10) . . ?
N5 C8 C9 122.1(11) . . ?
C10 C9 C8 119.5(11) . . ?
C9 C10 C11 118.5(11) . . ?
C9 C10 C7 119.6(10) . . ?
C11 C10 C7 121.8(10) . . ?
C10 C11 C12 119.2(11) . . ?
N5 C12 C11 122.0(11) . . ?
N6 C13 C14 123.6(11) . . ?
C15 C14 C13 117.2(11) . . ?
C16 C15 C14 119.3(10) . . ?
C16 C15 C18 119.9(11) . . ?
C14 C15 C18 120.7(12) . . ?
C15 C16 C17 120.4(11) . . ?
N6 C17 C16 122.1(12) . . ?
N7 C18 N8 126.9(10) . . ?
N7 C18 C15 120.2(10) . . ?
N8 C18 C15 112.9(10) . . ?
N9 C19 N8 127.9(10) . . ?
N9 C19 C22 119.3(10) . . ?
N8 C19 C22 112.7(10) . . ?
N10 C20 C21 122.7(10) . . ?
C22 C21 C20 119.5(10) . . ?
C21 C22 C23 117.2(10) . . ?
C21 C22 C19 123.0(10) . . ?
C23 C22 C19 119.7(10) . . ?
C24 C23 C22 119.9(10) . . ?
N10 C24 C23 122.0(11) . . ?
C30 C25 C29 130(2) . . ?
C30 C25 C26 124.1(19) . . ?
C29 C25 C26 105.4(14) . . ?
C30 C25 Rh1 124.6(13) . . ?
C29 C25 Rh1 71.1(9) . . ?
C26 C25 Rh1 70.2(9) . . ?
C27 C26 C31 130(2) . . ?
C27 C26 C25 107.3(14) . . ?
C31 C26 C25 122.6(19) . . ?
C27 C26 Rh1 71.3(9) . . ?
C31 C26 Rh1 124.9(12) . . ?
C25 C26 Rh1 69.3(8) . . ?
C26 C27 C28 109.7(18) . . ?
C26 C27 C32 130(2) . . ?
C28 C27 C32 120(2) . . ?
C26 C27 Rh1 71.4(9) . . ?
C28 C27 Rh1 71.5(10) . . ?
C32 C27 Rh1 122.7(13) . . ?
C29 C28 C27 109.3(15) . . ?
C29 C28 C33 120(2) . . ?
C27 C28 C33 130(2) . . ?
C29 C28 Rh1 71.1(10) . . ?
C27 C28 Rh1 70.3(10) . . ?
C33 C28 Rh1 126.1(14) . . ?
C28 C29 C25 108.2(15) . . ?
C28 C29 C34 132(2) . . ?
C25 C29 C34 120(2) . . ?
C28 C29 Rh1 71.6(10) . . ?
C25 C29 Rh1 69.5(9) . . ?
C34 C29 Rh1 124.1(13) . . ?
C39 C35 C36 108.3(11) . . ?
C39 C35 C40 126.7(12) . . ?
C36 C35 C40 125.0(13) . . ?
C39 C35 Rh2 70.3(6) . . ?
C36 C35 Rh2 71.4(7) . . ?
C40 C35 Rh2 124.9(9) . . ?
C37 C36 C35 107.7(11) . . ?
C37 C36 C41 127.3(12) . . ?
C35 C36 C41 125.0(12) . . ?
C37 C36 Rh2 71.2(7) . . ?
C35 C36 Rh2 69.3(6) . . ?
C41 C36 Rh2 125.6(9) . . ?
C36 C37 C38 108.2(12) . . ?
C36 C37 C42 126.1(12) . . ?
C38 C37 C42 125.7(13) . . ?
C36 C37 Rh2 70.8(7) . . ?
C38 C37 Rh2 68.2(6) . . ?
C42 C37 Rh2 127.0(9) . . ?
C37 C38 C39 108.2(12) . . ?
C37 C38 C43 124.8(12) . . ?
C39 C38 C43 126.6(11) . . ?
C37 C38 Rh2 72.8(7) . . ?
C39 C38 Rh2 70.9(7) . . ?
C43 C38 Rh2 127.4(9) . . ?
C35 C39 C38 107.5(11) . . ?
C35 C39 C44 123.6(11) . . ?
C38 C39 C44 128.8(12) . . ?
C35 C39 Rh2 71.0(7) . . ?
C38 C39 Rh2 69.5(6) . . ?
C44 C39 Rh2 125.6(8) . . ?
C46 C45 C49 109.7(17) . . ?
C46 C45 C50 126(2) . . ?
C49 C45 C50 124(2) . . ?
C46 C45 Rh3 71.3(10) . . ?
C49 C45 Rh3 72.7(10) . . ?
C50 C45 Rh3 127.0(13) . . ?
C45 C46 C47 108.5(16) . . ?
C45 C46 C51 127(2) . . ?
C47 C46 C51 124(2) . . ?
C45 C46 Rh3 70.3(8) . . ?
C47 C46 Rh3 70.9(8) . . ?
C51 C46 Rh3 125.3(13) . . ?
C48 C47 C46 105.9(15) . . ?
C48 C47 C52 125(2) . . ?
C46 C47 C52 129(2) . . ?
C48 C47 Rh3 69.2(8) . . ?
C46 C47 Rh3 69.6(8) . . ?
C52 C47 Rh3 126.1(14) . . ?
C47 C48 C49 109.2(15) . . ?
C47 C48 C53 124.7(19) . . ?
C49 C48 C53 125.8(19) . . ?
C47 C48 Rh3 71.6(9) . . ?
C49 C48 Rh3 72.6(9) . . ?
C53 C48 Rh3 127.1(11) . . ?
C45 C49 C48 106.4(16) . . ?
C45 C49 C54 127.3(18) . . ?
C48 C49 C54 126.1(17) . . ?
C45 C49 Rh3 68.7(10) . . ?
C48 C49 Rh3 68.4(9) . . ?
C54 C49 Rh3 124.8(11) . . ?
C59 C55 C56 107.7(13) . . ?
C59 C55 C60 128.1(14) . . ?
C56 C55 C60 124.2(15) . . ?
C59 C55 Rh4 70.0(8) . . ?
C56 C55 Rh4 68.4(7) . . ?
C60 C55 Rh4 126.2(10) . . ?
C57 C56 C55 106.9(14) . . ?
C57 C56 C61 126.6(15) . . ?
C55 C56 C61 125.4(15) . . ?
C57 C56 Rh4 72.5(9) . . ?
C55 C56 Rh4 71.8(8) . . ?
C61 C56 Rh4 130.3(12) . . ?
C58 C57 C56 107.0(13) . . ?
C58 C57 C62 126.1(14) . . ?
C56 C57 C62 126.9(15) . . ?
C58 C57 Rh4 69.9(9) . . ?
C56 C57 Rh4 68.1(8) . . ?
C62 C57 Rh4 126.3(11) . . ?
C59 C58 C57 109.9(13) . . ?
C59 C58 C63 126.0(15) . . ?
C57 C58 C63 124.1(14) . . ?
C59 C58 Rh4 70.6(9) . . ?
C57 C58 Rh4 71.8(9) . . ?
C63 C58 Rh4 124.2(11) . . ?
C58 C59 C55 108.3(13) . . ?
C58 C59 C64 126.8(15) . . ?
C55 C59 C64 124.8(15) . . ?
C58 C59 Rh4 71.2(9) . . ?
C55 C59 Rh4 71.5(8) . . ?
C64 C59 Rh4 125.6(12) . . ?
F1 C65 F2 106.6(13) . . ?
F1 C65 F3 104.8(12) . . ?
F2 C65 F3 108.0(14) . . ?
F1 C65 S1 112.0(11) . . ?
F2 C65 S1 112.4(10) . . ?
F3 C65 S1 112.7(10) . . ?
F4 C66 F5 108.6(12) . . ?
F4 C66 F6 106.0(12) . . ?
F5 C66 F6 104.2(11) . . ?
F4 C66 S2 114.4(9) . . ?
F5 C66 S2 112.8(10) . . ?
F6 C66 S2 110.2(10) . . ?
F9 C67 F8 111(3) . . ?
F9 C67 F7 105(2) . . ?
F8 C67 F7 108(2) . . ?
F9 C67 S3 111.2(19) . . ?
F8 C67 S3 105(2) . . ?
F7 C67 S3 115.4(15) . . ?
N11 C69 C70 174(4) . . ?
N12 C71 C72 176(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
N4 Ni1 N2 C6 -6.9(10) . . . . ?
N9 Ni1 N2 C6 174.1(10) . . . . ?
N7 Ni1 N4 C7 -170.7(10) . . . . ?
N2 Ni1 N4 C7 7.9(10) . . . . ?
N4 Ni1 N7 C18 -179.7(10) . . . . ?
N9 Ni1 N7 C18 -0.7(10) . . . . ?
N7 Ni1 N9 C19 0.2(10) . . . . ?
N2 Ni1 N9 C19 -178.5(10) . . . . ?
C5 N1 C1 C2 0(2) . . . . ?
Rh1 N1 C1 C2 176.6(10) . . . . ?
N1 C1 C2 C3 4(2) . . . . ?
C1 C2 C3 C4 -4.4(18) . . . . ?
C1 C2 C3 C6 176.4(11) . . . . ?
C2 C3 C4 C5 1.6(19) . . . . ?
C6 C3 C4 C5 -179.2(11) . . . . ?
C1 N1 C5 C4 -3(2) . . . . ?
Rh1 N1 C5 C4 -179.8(10) . . . . ?
C3 C4 C5 N1 2(2) . . . . ?
Ni1 N2 C6 N3 2.0(17) . . . . ?
Ni1 N2 C6 C3 -176.8(8) . . . . ?
C7 N3 C6 N2 4.9(18) . . . . ?
C7 N3 C6 C3 -176.2(10) . . . . ?
C4 C3 C6 N2 150.8(11) . . . . ?
C2 C3 C6 N2 -30.0(16) . . . . ?
C4 C3 C6 N3 -28.2(15) . . . . ?
C2 C3 C6 N3 151.0(11) . . . . ?
Ni1 N4 C7 N3 -4.2(18) . . . . ?
Ni1 N4 C7 C10 172.3(8) . . . . ?
C6 N3 C7 N4 -3.8(18) . . . . ?
C6 N3 C7 C10 179.5(10) . . . . ?
C12 N5 C8 C9 6(2) . . . . ?
Rh3 N5 C8 C9 -170.2(10) . . . . ?
N5 C8 C9 C10 -2(2) . . . . ?
C8 C9 C10 C11 -3.0(18) . . . . ?
C8 C9 C10 C7 173.2(11) . . . . ?
N4 C7 C10 C9 -163.5(11) . . . . ?
N3 C7 C10 C9 13.4(15) . . . . ?
N4 C7 C10 C11 12.5(17) . . . . ?
N3 C7 C10 C11 -170.6(11) . . . . ?
C9 C10 C11 C12 3.5(19) . . . . ?
C7 C10 C11 C12 -172.6(12) . . . . ?
C8 N5 C12 C11 -6(2) . . . . ?
Rh3 N5 C12 C11 170.8(11) . . . . ?
C10 C11 C12 N5 1(2) . . . . ?
C17 N6 C13 C14 0.9(17) . . . . ?
Rh2 N6 C13 C14 169.5(8) 2_765 . . . ?
N6 C13 C14 C15 0.0(17) . . . . ?
C13 C14 C15 C16 1.0(17) . . . . ?
C13 C14 C15 C18 179.4(10) . . . . ?
C14 C15 C16 C17 -3(2) . . . . ?
C18 C15 C16 C17 178.8(12) . . . . ?
C13 N6 C17 C16 -2.7(19) . . . . ?
Rh2 N6 C17 C16 -171.6(11) 2_765 . . . ?
C15 C16 C17 N6 4(2) . . . . ?
Ni1 N7 C18 N8 -0.1(17) . . . . ?
Ni1 N7 C18 C15 -179.9(8) . . . . ?
C19 N8 C18 N7 1.7(16) . . . . ?
C19 N8 C18 C15 -178.5(9) . . . . ?
C16 C15 C18 N7 -149.1(12) . . . . ?
C14 C15 C18 N7 32.5(16) . . . . ?
C16 C15 C18 N8 31.1(15) . . . . ?
C14 C15 C18 N8 -147.3(10) . . . . ?
Ni1 N9 C19 N8 1.3(18) . . . . ?
Ni1 N9 C19 C22 -179.0(7) . . . . ?
C18 N8 C19 N9 -2.3(17) . . . . ?
C18 N8 C19 C22 178.0(9) . . . . ?
C24 N10 C20 C21 3.0(19) . . . . ?
Rh4 N10 C20 C21 -159.1(10) 2_765 . . . ?
N10 C20 C21 C22 -0.3(19) . . . . ?
C20 C21 C22 C23 -2.7(17) . . . . ?
C20 C21 C22 C19 172.7(11) . . . . ?
N9 C19 C22 C21 -19.0(16) . . . . ?
N8 C19 C22 C21 160.7(11) . . . . ?
N9 C19 C22 C23 156.3(11) . . . . ?
N8 C19 C22 C23 -24.0(15) . . . . ?
C21 C22 C23 C24 3.2(17) . . . . ?
C19 C22 C23 C24 -172.4(11) . . . . ?
C20 N10 C24 C23 -2.5(19) . . . . ?
Rh4 N10 C24 C23 159.4(10) 2_765 . . . ?
C22 C23 C24 N10 -0.5(19) . . . . ?
C30 C25 C26 C27 -179.4(17) . . . . ?
C29 C25 C26 C27 -1.3(18) . . . . ?
Rh1 C25 C26 C27 61.6(12) . . . . ?
C30 C25 C26 C31 0(3) . . . . ?
C29 C25 C26 C31 178.2(15) . . . . ?
Rh1 C25 C26 C31 -119.0(15) . . . . ?
C30 C25 C26 Rh1 119.1(18) . . . . ?
C29 C25 C26 Rh1 -62.8(11) . . . . ?
C31 C26 C27 C28 -178.1(16) . . . . ?
C25 C26 C27 C28 1.3(19) . . . . ?
Rh1 C26 C27 C28 61.6(12) . . . . ?
C31 C26 C27 C32 3(3) . . . . ?
C25 C26 C27 C32 -177.7(18) . . . . ?
Rh1 C26 C27 C32 -117(2) . . . . ?
C31 C26 C27 Rh1 120.3(18) . . . . ?
C25 C26 C27 Rh1 -60.3(11) . . . . ?
C26 C27 C28 C29 -1(2) . . . . ?
C32 C27 C28 C29 178.3(16) . . . . ?
Rh1 C27 C28 C29 60.7(12) . . . . ?
C26 C27 C28 C33 177.4(19) . . . . ?
C32 C27 C28 C33 -3(3) . . . . ?
Rh1 C27 C28 C33 -121(2) . . . . ?
C26 C27 C28 Rh1 -61.5(13) . . . . ?
C32 C27 C28 Rh1 117.6(17) . . . . ?
C27 C28 C29 C25 0(2) . . . . ?
C33 C28 C29 C25 -178.4(16) . . . . ?
Rh1 C28 C29 C25 60.2(11) . . . . ?
C27 C28 C29 C34 -179.9(19) . . . . ?
C33 C28 C29 C34 2(3) . . . . ?
Rh1 C28 C29 C34 -120(2) . . . . ?
C27 C28 C29 Rh1 -60.1(12) . . . . ?
C33 C28 C29 Rh1 121.4(17) . . . . ?
C30 C25 C29 C28 178.7(18) . . . . ?
C26 C25 C29 C28 0.8(18) . . . . ?
Rh1 C25 C29 C28 -61.5(12) . . . . ?
C30 C25 C29 C34 -1(3) . . . . ?
C26 C25 C29 C34 -179.3(16) . . . . ?
Rh1 C25 C29 C34 118.5(17) . . . . ?
C30 C25 C29 Rh1 -120(2) . . . . ?
C26 C25 C29 Rh1 62.2(10) . . . . ?
C39 C35 C36 C37 0.2(13) . . . . ?
C40 C35 C36 C37 -178.7(12) . . . . ?
Rh2 C35 C36 C37 61.2(9) . . . . ?
C39 C35 C36 C41 179.3(12) . . . . ?
C40 C35 C36 C41 0(2) . . . . ?
Rh2 C35 C36 C41 -119.7(12) . . . . ?
C39 C35 C36 Rh2 -61.0(8) . . . . ?
C40 C35 C36 Rh2 120.1(13) . . . . ?
C35 C36 C37 C38 -1.9(13) . . . . ?
C41 C36 C37 C38 179.1(12) . . . . ?
Rh2 C36 C37 C38 58.1(8) . . . . ?
C35 C36 C37 C42 177.7(12) . . . . ?
C41 C36 C37 C42 -1(2) . . . . ?
Rh2 C36 C37 C42 -122.3(13) . . . . ?
C35 C36 C37 Rh2 -60.0(8) . . . . ?
C41 C36 C37 Rh2 121.0(13) . . . . ?
C36 C37 C38 C39 2.8(13) . . . . ?
C42 C37 C38 C39 -176.8(11) . . . . ?
Rh2 C37 C38 C39 62.5(7) . . . . ?
C36 C37 C38 C43 176.2(11) . . . . ?
C42 C37 C38 C43 -3.3(19) . . . . ?
Rh2 C37 C38 C43 -124.0(12) . . . . ?
C36 C37 C38 Rh2 -59.7(9) . . . . ?
C42 C37 C38 Rh2 120.7(12) . . . . ?
C36 C35 C39 C38 1.5(13) . . . . ?
C40 C35 C39 C38 -179.6(11) . . . . ?
Rh2 C35 C39 C38 -60.2(8) . . . . ?
C36 C35 C39 C44 -177.6(11) . . . . ?
C40 C35 C39 C44 1.3(19) . . . . ?
Rh2 C35 C39 C44 120.7(11) . . . . ?
C36 C35 C39 Rh2 61.7(8) . . . . ?
C40 C35 C39 Rh2 -119.4(13) . . . . ?
C37 C38 C39 C35 -2.7(13) . . . . ?
C43 C38 C39 C35 -175.9(11) . . . . ?
Rh2 C38 C39 C35 61.1(8) . . . . ?
C37 C38 C39 C44 176.4(11) . . . . ?
C43 C38 C39 C44 3.1(19) . . . . ?
Rh2 C38 C39 C44 -119.8(12) . . . . ?
C37 C38 C39 Rh2 -63.8(8) . . . . ?
C43 C38 C39 Rh2 123.0(12) . . . . ?
C49 C45 C46 C47 -2.1(18) . . . . ?
C50 C45 C46 C47 -176.5(17) . . . . ?
Rh3 C45 C46 C47 60.9(11) . . . . ?
C49 C45 C46 C51 177.0(16) . . . . ?
C50 C45 C46 C51 3(3) . . . . ?
Rh3 C45 C46 C51 -120.0(18) . . . . ?
C49 C45 C46 Rh3 -63.0(11) . . . . ?
C50 C45 C46 Rh3 122.6(18) . . . . ?
C45 C46 C47 C48 -0.6(18) . . . . ?
C51 C46 C47 C48 -179.8(15) . . . . ?
Rh3 C46 C47 C48 60.0(10) . . . . ?
C45 C46 C47 C52 179.0(17) . . . . ?
C51 C46 C47 C52 0(3) . . . . ?
Rh3 C46 C47 C52 -120(2) . . . . ?
C45 C46 C47 Rh3 -60.6(11) . . . . ?
C51 C46 C47 Rh3 120.3(17) . . . . ?
C46 C47 C48 C49 3.0(17) . . . . ?
C52 C47 C48 C49 -176.6(17) . . . . ?
Rh3 C47 C48 C49 63.3(11) . . . . ?
C46 C47 C48 C53 176.8(15) . . . . ?
C52 C47 C48 C53 -3(3) . . . . ?
Rh3 C47 C48 C53 -122.9(16) . . . . ?
C46 C47 C48 Rh3 -60.2(10) . . . . ?
C52 C47 C48 Rh3 120.2(18) . . . . ?
C46 C45 C49 C48 3.9(18) . . . . ?
C50 C45 C49 C48 178.4(16) . . . . ?
Rh3 C45 C49 C48 -58.2(11) . . . . ?
C46 C45 C49 C54 -179.7(15) . . . . ?
C50 C45 C49 C54 -5(3) . . . . ?
Rh3 C45 C49 C54 118.2(17) . . . . ?
C46 C45 C49 Rh3 62.1(11) . . . . ?
C50 C45 C49 Rh3 -123.4(17) . . . . ?
C47 C48 C49 C45 -4.3(17) . . . . ?
C53 C48 C49 C45 -178.0(15) . . . . ?
Rh3 C48 C49 C45 58.4(11) . . . . ?
C47 C48 C49 C54 179.3(15) . . . . ?
C53 C48 C49 C54 6(3) . . . . ?
Rh3 C48 C49 C54 -118.1(16) . . . . ?
C47 C48 C49 Rh3 -62.6(11) . . . . ?
C53 C48 C49 Rh3 123.6(16) . . . . ?
C59 C55 C56 C57 5.4(16) . . . . ?
C60 C55 C56 C57 -175.5(13) . . . . ?
Rh4 C55 C56 C57 64.5(10) . . . . ?
C59 C55 C56 C61 173.8(15) . . . . ?
C60 C55 C56 C61 -7(2) . . . . ?
Rh4 C55 C56 C61 -127.0(16) . . . . ?
C59 C55 C56 Rh4 -59.2(10) . . . . ?
C60 C55 C56 Rh4 119.9(14) . . . . ?
C55 C56 C57 C58 -4.7(16) . . . . ?
C61 C56 C57 C58 -173.0(15) . . . . ?
Rh4 C56 C57 C58 59.3(11) . . . . ?
C55 C56 C57 C62 176.2(14) . . . . ?
C61 C56 C57 C62 8(3) . . . . ?
Rh4 C56 C57 C62 -119.7(15) . . . . ?
C55 C56 C57 Rh4 -64.1(9) . . . . ?
C61 C56 C57 Rh4 127.7(16) . . . . ?
C56 C57 C58 C59 2.4(18) . . . . ?
C62 C57 C58 C59 -178.6(15) . . . . ?
Rh4 C57 C58 C59 60.6(11) . . . . ?
C56 C57 C58 C63 -177.6(14) . . . . ?
C62 C57 C58 C63 1(3) . . . . ?
Rh4 C57 C58 C63 -119.5(16) . . . . ?
C56 C57 C58 Rh4 -58.2(10) . . . . ?
C62 C57 C58 Rh4 120.9(15) . . . . ?
C57 C58 C59 C55 1.0(18) . . . . ?
C63 C58 C59 C55 -179.0(15) . . . . ?
Rh4 C58 C59 C55 62.3(10) . . . . ?
C57 C58 C59 C64 177.8(15) . . . . ?
C63 C58 C59 C64 -2(3) . . . . ?
Rh4 C58 C59 C64 -120.9(17) . . . . ?
C57 C58 C59 Rh4 -61.3(11) . . . . ?
C63 C58 C59 Rh4 118.7(16) . . . . ?
C56 C55 C59 C58 -4.0(17) . . . . ?
C60 C55 C59 C58 177.0(14) . . . . ?
Rh4 C55 C59 C58 -62.1(11) . . . . ?
C56 C55 C59 C64 179.1(15) . . . . ?
C60 C55 C59 C64 0(3) . . . . ?
Rh4 C55 C59 C64 121.0(16) . . . . ?
C56 C55 C59 Rh4 58.1(9) . . . . ?
C60 C55 C59 Rh4 -120.9(15) . . . . ?
O2 S1 C65 F1 -71.5(11) . . . . ?
O3 S1 C65 F1 48.9(12) . . . . ?
O1 S1 C65 F1 167.9(10) . . . . ?
O2 S1 C65 F2 48.5(13) . . . . ?
O3 S1 C65 F2 168.8(11) . . . . ?
O1 S1 C65 F2 -72.2(12) . . . . ?
O2 S1 C65 F3 170.7(11) . . . . ?
O3 S1 C65 F3 -68.9(12) . . . . ?
O1 S1 C65 F3 50.1(12) . . . . ?
O4 S2 C66 F4 -61.3(11) . . . . ?
O6 S2 C66 F4 176.7(9) . . . . ?
O5 S2 C66 F4 58.3(11) . . . . ?
O4 S2 C66 F5 63.5(12) . . . . ?
O6 S2 C66 F5 -58.5(11) . . . . ?
O5 S2 C66 F5 -177.0(10) . . . . ?
O4 S2 C66 F6 179.5(9) . . . . ?
O6 S2 C66 F6 57.5(10) . . . . ?
O5 S2 C66 F6 -61.0(10) . . . . ?
O9 S3 C67 F9 58(3) . . . . ?
O8 S3 C67 F9 -68(3) . . . . ?
O7 S3 C67 F9 -167(2) . . . . ?
O9 S3 C67 F8 -63(3) . . . . ?
O8 S3 C67 F8 171(2) . . . . ?
O7 S3 C67 F8 72(2) . . . . ?
O9 S3 C67 F7 178(2) . . . . ?
O8 S3 C67 F7 52(2) . . . . ?
O7 S3 C67 F7 -47(2) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N2 H2 O3 0.88 2.22 3.090(12) 169.3 1_554
N4 H4 O5 0.88 2.24 3.099(13) 164.6 .
N7 H7 O5 0.88 2.16 2.991(13) 157.2 .
N9 H9 O3 0.88 2.22 3.089(12) 168.1 1_554
C11 H11 O5 0.95 2.35 3.273(15) 164.9 .

_refine_diff_density_max         1.991
_refine_diff_density_min         -1.213
_refine_diff_density_rms         0.185

####################################################################### 
# 
# 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_5b
_database_code_depnum_ccdc_archive 'CCDC 1536195'
_audit_update_record             
;
2017-03-06 deposited with the CCDC.
2017-03-29 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            5b
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C154 H180 F24 N24 O42 Pd2 Rh8 S8'
_chemical_formula_weight         4787.77

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 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'
Pd Pd 0.1215 3.9337 '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                   12.0423(5)
_cell_length_b                   18.7950(7)
_cell_length_c                   21.1589(8)
_cell_angle_alpha                89.3467(16)
_cell_angle_beta                 83.4094(17)
_cell_angle_gamma                86.6129(16)
_cell_volume                     4749.0(3)
_cell_formula_units_Z            1
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9900
_cell_measurement_theta_min      2.35
_cell_measurement_theta_max      72.46

_exptl_crystal_description       prism
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.674
_exptl_crystal_F_000             2404
_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    8.663
_shelx_estimated_absorpt_T_min   0.221
_shelx_estimated_absorpt_T_max   0.305
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.067
_exptl_absorpt_correction_T_max  0.226
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(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            60888
_diffrn_reflns_av_unetI/netI     0.0488
_diffrn_reflns_av_R_equivalents  0.0524
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         3.150
_diffrn_reflns_theta_max         69.497
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measured_fraction_theta_full 0.976
_diffrn_reflns_Laue_measured_fraction_max 0.975
_diffrn_reflns_Laue_measured_fraction_full 0.976
_diffrn_reflns_point_group_measured_fraction_max 0.975
_diffrn_reflns_point_group_measured_fraction_full 0.976
_reflns_number_total             17397
_reflns_number_gt                14388
_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-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 F8 was refined isotropically and other non-hydrogen atoms 
 were refined anisotropically. 15 ISOR and 6 DFIX 
 instructions were used to restrain anions and Cp* fragments 
 so that there were 96 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)+(0.0831P)²+52.9564P] 
 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         17397
_refine_ls_number_parameters     1079
_refine_ls_number_restraints     96
_refine_ls_R_factor_all          0.0937
_refine_ls_R_factor_gt           0.0832
_refine_ls_wR_factor_ref         0.2201
_refine_ls_wR_factor_gt          0.2132
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_restrained_S_all      1.058
_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
1 0.000 0.500 0.500 889.1 199.3
2 0.333 0.719 0.324 7.0 -1.3
3 0.667 0.281 0.676 7.0 -1.3
_platon_squeeze_details          
; 
 In asymmetric unit of this data, there were disordered 
 anions and solvents (one triflate anion, one methanol and 
 one 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 0.74621(6) 0.55465(3) -0.07962(3) 0.04327(17) Uani 1 1 d . . . . .
Rh2 Rh 0.46906(6) 0.56761(3) -0.26877(3) 0.04624(18) Uani 1 1 d . . . . .
Rh3 Rh 0.18598(7) 0.86607(4) 0.43762(3) 0.0541(2) Uani 1 1 d . . . . .
Rh4 Rh -0.09456(6) 0.86747(4) 0.25075(3) 0.04611(18) Uani 1 1 d . . . . .
Pd1 Pd 0.58378(5) 1.00102(3) 0.06545(3) 0.03585(15) Uani 1 1 d . . . . .
S1 S 0.1614(2) 0.78194(12) 0.98202(12) 0.0534(6) Uani 1 1 d . . . . .
S2 S 0.5193(3) 0.74282(15) 0.16887(17) 0.0769(8) Uani 1 1 d . . . . .
S3 S 0.6869(8) 0.8118(5) 0.5856(3) 0.174(3) Uani 1 1 d D . . . .
N1 N 0.6860(7) 0.6636(4) -0.0774(4) 0.0461(17) Uani 1 1 d . . . . .
N2 N 0.5999(6) 0.9038(3) 0.0277(3) 0.0358(14) Uani 1 1 d . . . . .
H2 H 0.5683 0.8697 0.0509 0.043 Uiso 1 1 calc R U . . .
N3 N 0.7089(6) 0.9260(3) -0.0703(3) 0.0420(16) Uani 1 1 d . . . . .
N4 N 0.6794(5) 1.0340(3) -0.0111(3) 0.0353(14) Uani 1 1 d . . . . .
H4 H 0.6948 1.0792 -0.0120 0.042 Uiso 1 1 calc R U . . .
N5 N 0.9486(6) 1.0885(4) -0.2021(3) 0.0433(16) Uani 1 1 d . . . . .
N6 N 0.2659(7) 0.9136(4) 0.3540(3) 0.0478(17) Uani 1 1 d . . . . .
N7 N 0.4887(6) 0.9683(3) 0.1432(3) 0.0385(15) Uani 1 1 d . . . . .
H7 H 0.4750 0.9228 0.1450 0.046 Uiso 1 1 calc R U . . .
N8 N 0.4526(6) 1.0780(4) 0.1996(4) 0.0431(16) Uani 1 1 d . . . . .
N9 N 0.5702(6) 1.0994(3) 0.1034(3) 0.0393(15) Uani 1 1 d . . . . .
H9 H 0.6057 1.1329 0.0814 0.047 Uiso 1 1 calc R U . . .
N10 N 0.5230(7) 1.3298(4) 0.2291(4) 0.0465(17) Uani 1 1 d . . . . .
O1 O 0.5796(5) 0.5310(3) -0.0947(3) 0.0470(14) Uani 1 1 d . . . . .
O2 O 0.7540(6) 0.5592(3) -0.1806(3) 0.0479(14) Uani 1 1 d . . . . .
O3 O 0.6459(5) 0.5563(3) -0.2579(3) 0.0464(14) Uani 1 1 d . . . . .
O4 O 0.4682(6) 0.5336(3) -0.1714(3) 0.0508(15) Uani 1 1 d . . . . .
O5 O 0.1298(6) 0.7941(4) 0.3719(3) 0.0576(17) Uani 1 1 d . . . . .
O6 O 0.0398(6) 0.9231(4) 0.4109(3) 0.0552(16) Uani 1 1 d . . . . .
O7 O -0.0642(5) 0.9277(3) 0.3315(3) 0.0482(14) Uani 1 1 d . . . . .
O8 O 0.0191(6) 0.7959(3) 0.2949(3) 0.0543(16) Uani 1 1 d . . . . .
O9 O 0.2675(6) 0.8137(3) 0.9849(3) 0.0530(15) Uani 1 1 d . . . . .
O10 O 0.1012(7) 0.7678(4) 1.0423(4) 0.0668(19) Uani 1 1 d . . . . .
O11 O 0.1642(7) 0.7271(4) 0.9346(4) 0.073(2) Uani 1 1 d . . . . .
O12 O 0.4911(7) 0.8082(4) 0.1347(4) 0.070(2) Uani 1 1 d . . . . .
O13 O 0.5169(10) 0.7495(5) 0.2370(5) 0.097(3) Uani 1 1 d . . . . .
O14 O 0.6108(10) 0.7008(6) 0.1416(6) 0.115(4) Uani 1 1 d . . . . .
O15 O 0.644(2) 0.8861(9) 0.5762(12) 0.239(11) Uani 1 1 d D U . . .
O16 O 0.593(2) 0.7707(13) 0.5973(14) 0.293(14) Uani 1 1 d D U . . .
O17 O 0.784(2) 0.817(2) 0.6200(15) 0.354(18) Uani 1 1 d D U . . .
F1 F -0.0256(7) 0.8359(5) 0.9445(5) 0.100(3) Uani 1 1 d . . . . .
F2 F 0.0678(6) 0.9115(4) 0.9886(4) 0.089(2) Uani 1 1 d . . . . .
F3 F 0.1228(7) 0.8755(5) 0.8933(4) 0.098(2) Uani 1 1 d . . . . .
F4 F 0.4024(12) 0.6812(6) 0.0977(5) 0.148(5) Uani 1 1 d . . . . .
F5 F 0.4043(10) 0.6299(4) 0.1901(6) 0.132(4) Uani 1 1 d . U . . .
F6 F 0.3092(8) 0.7257(5) 0.1867(7) 0.139(4) Uani 1 1 d . . . . .
F7 F 0.8306(17) 0.8228(12) 0.4755(11) 0.236(10) Uani 1 1 d D . . . .
F8 F 0.799(3) 0.7225(16) 0.5084(17) 0.374(18) Uiso 1 1 d D . . . .
F9 F 0.6742(19) 0.7802(17) 0.4704(9) 0.295(12) Uani 1 1 d D U . . .
C1 C 0.5614(8) 0.5372(4) -0.1505(4) 0.0434(19) Uani 1 1 d . . . . .
C2 C 0.6618(8) 0.5525(5) -0.2009(4) 0.046(2) Uani 1 1 d . . . . .
C3 C 0.0566(9) 0.8221(5) 0.3412(5) 0.051(2) Uani 1 1 d . . . . .
C4 C 0.0055(8) 0.8981(5) 0.3629(4) 0.047(2) Uani 1 1 d . . . . .
C5 C 0.7496(9) 0.7113(5) -0.1098(5) 0.051(2) Uani 1 1 d . . . . .
H5 H 0.8055 0.6954 -0.1427 0.062 Uiso 1 1 calc R U . . .
C6 C 0.7354(8) 0.7827(4) -0.0960(4) 0.046(2) Uani 1 1 d . . . . .
H6 H 0.7800 0.8154 -0.1204 0.055 Uiso 1 1 calc R U . . .
C7 C 0.6567(7) 0.8080(4) -0.0467(4) 0.0387(17) Uani 1 1 d . . . . .
C8 C 0.5867(8) 0.7582(5) -0.0176(5) 0.048(2) Uani 1 1 d . . . . .
H8A H 0.5271 0.7729 0.0138 0.057 Uiso 1 1 calc R U . . .
C9 C 0.6038(8) 0.6873(4) -0.0342(5) 0.050(2) Uani 1 1 d . . . . .
H9A H 0.5548 0.6540 -0.0139 0.060 Uiso 1 1 calc R U . . .
C10 C 0.6509(7) 0.8855(4) -0.0265(4) 0.0374(17) Uani 1 1 d . . . . .
C11 C 0.7215(6) 0.9956(4) -0.0599(4) 0.0334(16) Uani 1 1 d . . . . .
C12 C 0.8742(7) 1.1298(4) -0.1666(4) 0.0406(18) Uani 1 1 d . . . . .
H12 H 0.8754 1.1800 -0.1721 0.049 Uiso 1 1 calc R U . . .
C13 C 0.7946(7) 1.1027(4) -0.1217(4) 0.0411(18) Uani 1 1 d . . . . .
H13 H 0.7410 1.1337 -0.0976 0.049 Uiso 1 1 calc R U . . .
C14 C 0.7946(7) 1.0296(4) -0.1127(4) 0.0364(17) Uani 1 1 d . . . . .
C15 C 0.8717(8) 0.9875(5) -0.1512(5) 0.048(2) Uani 1 1 d . . . . .
H15 H 0.8727 0.9372 -0.1467 0.058 Uiso 1 1 calc R U . . .
C16 C 0.9469(8) 1.0175(5) -0.1958(4) 0.048(2) Uani 1 1 d . . . . .
H16 H 0.9982 0.9877 -0.2226 0.057 Uiso 1 1 calc R U . . .
C17 C 0.3321(9) 0.8735(5) 0.3128(5) 0.059(3) Uani 1 1 d . . . . .
H17 H 0.3396 0.8236 0.3202 0.070 Uiso 1 1 calc R U . . .
C18 C 0.3900(10) 0.9018(5) 0.2598(5) 0.060(3) Uani 1 1 d . . . . .
H18 H 0.4381 0.8716 0.2317 0.073 Uiso 1 1 calc R U . . .
C19 C 0.3790(7) 0.9744(4) 0.2470(4) 0.0409(18) Uani 1 1 d . . . . .
C20 C 0.3079(10) 1.0137(5) 0.2903(5) 0.064(3) Uani 1 1 d . . . . .
H20 H 0.2958 1.0635 0.2837 0.077 Uiso 1 1 calc R U . . .
C21 C 0.2545(11) 0.9822(6) 0.3425(5) 0.066(3) Uani 1 1 d . . . . .
H21 H 0.2068 1.0112 0.3719 0.079 Uiso 1 1 calc R U . . .
C22 C 0.4455(7) 1.0066(4) 0.1908(4) 0.0396(18) Uani 1 1 d . . . . .
C23 C 0.5145(7) 1.1177(4) 0.1566(4) 0.0388(17) Uani 1 1 d . . . . .
C24 C 0.5993(8) 1.3060(5) 0.1822(5) 0.052(2) Uani 1 1 d . . . . .
H24 H 0.6554 1.3368 0.1653 0.062 Uiso 1 1 calc R U . . .
C25 C 0.5997(9) 1.2385(5) 0.1574(5) 0.052(2) Uani 1 1 d . . . . .
H25 H 0.6565 1.2231 0.1247 0.063 Uiso 1 1 calc R U . . .
C26 C 0.5167(8) 1.1928(4) 0.1802(4) 0.0406(18) Uani 1 1 d . . . . .
C27 C 0.4353(9) 1.2192(5) 0.2279(5) 0.051(2) Uani 1 1 d . . . . .
H27 H 0.3758 1.1908 0.2443 0.061 Uiso 1 1 calc R U . . .
C28 C 0.4425(8) 1.2876(5) 0.2513(5) 0.050(2) Uani 1 1 d . . . . .
H28 H 0.3877 1.3047 0.2844 0.060 Uiso 1 1 calc R U . . .
C29 C 0.8748(9) 0.5712(6) -0.0212(6) 0.064(3) Uani 1 1 d . . . . .
C30 C 0.7877(10) 0.5363(5) 0.0145(5) 0.058(3) Uani 1 1 d . . . . .
C31 C 0.7751(9) 0.4681(5) -0.0149(5) 0.055(2) Uani 1 1 d . . . . .
C32 C 0.8515(9) 0.4602(5) -0.0692(5) 0.057(3) Uani 1 1 d . . . . .
C33 C 0.9166(9) 0.5246(7) -0.0735(6) 0.068(3) Uani 1 1 d . . . . .
C34 C 0.9160(15) 0.6401(8) -0.0059(9) 0.105(5) Uani 1 1 d . U . . .
H34A H 0.8568 0.6679 0.0203 0.157 Uiso 1 1 calc R U . . .
H34B H 0.9374 0.6663 -0.0453 0.157 Uiso 1 1 calc R U . . .
H34C H 0.9813 0.6322 0.0175 0.157 Uiso 1 1 calc R U . . .
C35 C 0.7220(14) 0.5629(8) 0.0759(6) 0.089(4) Uani 1 1 d . . . . .
H35A H 0.7618 0.5472 0.1119 0.133 Uiso 1 1 calc R U . . .
H35B H 0.6477 0.5436 0.0804 0.133 Uiso 1 1 calc R U . . .
H35C H 0.7141 0.6151 0.0750 0.133 Uiso 1 1 calc R U . . .
C36 C 0.6888(12) 0.4181(6) 0.0102(6) 0.076(3) Uani 1 1 d . . . . .
H36A H 0.6543 0.3991 -0.0253 0.114 Uiso 1 1 calc R U . . .
H36B H 0.6313 0.4436 0.0394 0.114 Uiso 1 1 calc R U . . .
H36C H 0.7242 0.3789 0.0329 0.114 Uiso 1 1 calc R U . . .
C37 C 0.8653(13) 0.3990(7) -0.1139(6) 0.081(4) Uani 1 1 d . . . . .
H37A H 0.8953 0.3568 -0.0925 0.122 Uiso 1 1 calc R U . . .
H37B H 0.9171 0.4105 -0.1512 0.122 Uiso 1 1 calc R U . . .
H37C H 0.7925 0.3893 -0.1273 0.122 Uiso 1 1 calc R U . . .
C38 C 1.0084(11) 0.5394(10) -0.1260(7) 0.098(5) Uani 1 1 d . . . . .
H38A H 0.9837 0.5286 -0.1672 0.147 Uiso 1 1 calc R U . . .
H38B H 1.0757 0.5094 -0.1199 0.147 Uiso 1 1 calc R U . . .
H38C H 1.0253 0.5897 -0.1250 0.147 Uiso 1 1 calc R U . . .
C39 C 0.3627(11) 0.4906(6) -0.2976(6) 0.066(3) Uani 1 1 d . . . . .
C40 C 0.3076(10) 0.5607(7) -0.2960(5) 0.067(3) Uani 1 1 d . . . . .
C41 C 0.3720(11) 0.6032(6) -0.3425(5) 0.065(3) Uani 1 1 d . . . . .
C42 C 0.4666(11) 0.5611(7) -0.3692(5) 0.067(3) Uani 1 1 d . . . . .
C43 C 0.4584(13) 0.4902(7) -0.3415(6) 0.080(4) Uani 1 1 d . . . . .
C44 C 0.3246(19) 0.4303(9) -0.2599(8) 0.122(7) Uani 1 1 d . U . . .
H44A H 0.2548 0.4153 -0.2739 0.183 Uiso 1 1 calc R U . . .
H44B H 0.3113 0.4439 -0.2149 0.183 Uiso 1 1 calc R U . . .
H44C H 0.3817 0.3908 -0.2652 0.183 Uiso 1 1 calc R U . . .
C45 C 0.2021(12) 0.5808(13) -0.2580(8) 0.121(6) Uani 1 1 d . U . . .
H45A H 0.1405 0.5786 -0.2843 0.181 Uiso 1 1 calc R U . . .
H45B H 0.2044 0.6295 -0.2422 0.181 Uiso 1 1 calc R U . . .
H45C H 0.1904 0.5479 -0.2219 0.181 Uiso 1 1 calc R U . . .
C46 C 0.3429(17) 0.6798(8) -0.3562(8) 0.107(5) Uani 1 1 d . U . . .
H46A H 0.4113 0.7061 -0.3615 0.161 Uiso 1 1 calc R U . . .
H46B H 0.2917 0.7001 -0.3208 0.161 Uiso 1 1 calc R U . . .
H46C H 0.3067 0.6835 -0.3954 0.161 Uiso 1 1 calc R U . . .
C47 C 0.5527(14) 0.5849(12) -0.4192(7) 0.114(6) Uani 1 1 d . . . . .
H47A H 0.5277 0.5782 -0.4611 0.171 Uiso 1 1 calc R U . . .
H47B H 0.6231 0.5568 -0.4164 0.171 Uiso 1 1 calc R U . . .
H47C H 0.5642 0.6354 -0.4131 0.171 Uiso 1 1 calc R U . . .
C48 C 0.5406(17) 0.4297(10) -0.3583(10) 0.138(8) Uani 1 1 d . U . . .
H48A H 0.5345 0.3937 -0.3243 0.207 Uiso 1 1 calc R U . . .
H48B H 0.6164 0.4468 -0.3634 0.207 Uiso 1 1 calc R U . . .
H48C H 0.5252 0.4085 -0.3982 0.207 Uiso 1 1 calc R U . . .
C49 C 0.2317(11) 0.9152(7) 0.5191(5) 0.070(3) Uani 1 1 d . . . . .
C50 C 0.1418(11) 0.8711(7) 0.5390(5) 0.070(3) Uani 1 1 d . . . . .
C51 C 0.1749(12) 0.8004(7) 0.5212(5) 0.076(4) Uani 1 1 d . . . . .
C52 C 0.2880(12) 0.7985(8) 0.4897(6) 0.082(4) Uani 1 1 d . . . . .
C53 C 0.3278(10) 0.8698(9) 0.4915(6) 0.082(4) Uani 1 1 d . . . . .
C54 C 0.2365(15) 0.9934(9) 0.5313(7) 0.097(5) Uani 1 1 d . . . . .
H54A H 0.1607 1.0140 0.5441 0.146 Uiso 1 1 calc R U . . .
H54B H 0.2684 1.0170 0.4925 0.146 Uiso 1 1 calc R U . . .
H54C H 0.2834 1.0002 0.5654 0.146 Uiso 1 1 calc R U . . .
C55 C 0.0302(12) 0.8998(9) 0.5709(7) 0.089(4) Uani 1 1 d . . . . .
H55A H -0.0274 0.8668 0.5643 0.133 Uiso 1 1 calc R U . . .
H55B H 0.0109 0.9464 0.5526 0.133 Uiso 1 1 calc R U . . .
H55C H 0.0343 0.9050 0.6166 0.133 Uiso 1 1 calc R U . . .
C56 C 0.1028(16) 0.7389(9) 0.5293(9) 0.112(6) Uani 1 1 d . . . . .
H56A H 0.1113 0.7156 0.5703 0.168 Uiso 1 1 calc R U . . .
H56B H 0.1250 0.7048 0.4948 0.168 Uiso 1 1 calc R U . . .
H56C H 0.0244 0.7556 0.5282 0.168 Uiso 1 1 calc R U . . .
C57 C 0.3507(17) 0.7326(11) 0.4636(7) 0.134(8) Uani 1 1 d . U . . .
H57A H 0.4156 0.7456 0.4345 0.201 Uiso 1 1 calc R U . . .
H57B H 0.3016 0.7051 0.4406 0.201 Uiso 1 1 calc R U . . .
H57C H 0.3761 0.7037 0.4986 0.201 Uiso 1 1 calc R U . . .
C58 C 0.4367(13) 0.8946(12) 0.4653(8) 0.114(6) Uani 1 1 d . U . . .
H58A H 0.4883 0.8908 0.4979 0.172 Uiso 1 1 calc R U . . .
H58B H 0.4276 0.9444 0.4516 0.172 Uiso 1 1 calc R U . . .
H58C H 0.4671 0.8651 0.4287 0.172 Uiso 1 1 calc R U . . .
C59 C -0.2383(8) 0.9177(6) 0.2155(5) 0.059(3) Uani 1 1 d . U . . .
C60 C -0.1802(9) 0.8671(8) 0.1681(6) 0.069(3) Uani 1 1 d . . . . .
C61 C -0.1786(10) 0.7978(7) 0.1953(7) 0.072(3) Uani 1 1 d . . . . .
C62 C -0.2355(8) 0.8041(6) 0.2591(6) 0.065(3) Uani 1 1 d . U . . .
C63 C -0.2738(8) 0.8749(6) 0.2686(6) 0.063(3) Uani 1 1 d . . . . .
C64 C -0.2562(9) 0.9960(7) 0.2078(6) 0.073(3) Uani 1 1 d . . . . .
H64A H -0.3332 1.0076 0.1987 0.110 Uiso 1 1 calc R U . . .
H64B H -0.2038 1.0125 0.1725 0.110 Uiso 1 1 calc R U . . .
H64C H -0.2433 1.0198 0.2471 0.110 Uiso 1 1 calc R U . . .
C65 C -0.1351(11) 0.8897(10) 0.1027(6) 0.091(4) Uani 1 1 d . . . . .
H65A H -0.0961 0.8488 0.0799 0.136 Uiso 1 1 calc R U . . .
H65B H -0.0827 0.9272 0.1056 0.136 Uiso 1 1 calc R U . . .
H65C H -0.1971 0.9081 0.0797 0.136 Uiso 1 1 calc R U . . .
C66 C -0.1273(13) 0.7312(8) 0.1671(8) 0.096(5) Uani 1 1 d . . . . .
H66A H -0.1859 0.7018 0.1550 0.143 Uiso 1 1 calc R U . . .
H66B H -0.0855 0.7053 0.1981 0.143 Uiso 1 1 calc R U . . .
H66C H -0.0761 0.7420 0.1292 0.143 Uiso 1 1 calc R U . . .
C67 C -0.2529(15) 0.7444(8) 0.3063(9) 0.108(5) Uani 1 1 d . . . . .
H67A H -0.2401 0.7607 0.3485 0.162 Uiso 1 1 calc R U . . .
H67B H -0.2001 0.7040 0.2935 0.162 Uiso 1 1 calc R U . . .
H67C H -0.3297 0.7294 0.3076 0.162 Uiso 1 1 calc R U . . .
C68 C -0.3356(11) 0.9060(8) 0.3311(6) 0.083(4) Uani 1 1 d . . . . .
H68A H -0.3381 0.8691 0.3643 0.125 Uiso 1 1 calc R U . . .
H68B H -0.4121 0.9223 0.3243 0.125 Uiso 1 1 calc R U . . .
H68C H -0.2959 0.9462 0.3445 0.125 Uiso 1 1 calc R U . . .
C69 C 0.0752(10) 0.8550(7) 0.9508(6) 0.072(3) Uani 1 1 d . . . . .
C70 C 0.4051(18) 0.6938(9) 0.1601(9) 0.109(5) Uani 1 1 d . U . . .
C71 C 0.751(2) 0.7903(14) 0.5080(10) 0.171(13) Uani 1 1 d D . . . .
C73 C 0.955(2) 0.4027(11) 0.7022(10) 0.119(6) Uani 1 1 d . . . . .
C74 C 0.849(3) 0.3876(12) 0.6770(14) 0.185(13) Uani 1 1 d . . . . .
H74A H 0.8156 0.3472 0.7002 0.277 Uiso 1 1 calc R U . . .
H74B H 0.8640 0.3760 0.6317 0.277 Uiso 1 1 calc R U . . .
H74C H 0.7966 0.4297 0.6825 0.277 Uiso 1 1 calc R U . . .
N11 N 1.0258(18) 0.4155(10) 0.7276(9) 0.135(6) 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 C33 2.114(10) . ?
Rh1 C29 2.127(10) . ?
Rh1 C30 2.128(9) . ?
Rh1 O2 2.128(6) . ?
Rh1 N1 2.130(7) . ?
Rh1 O1 2.140(6) . ?
Rh1 C32 2.144(9) . ?
Rh1 C31 2.152(9) . ?
Rh2 C40 2.102(11) . ?
Rh2 N10 2.124(7) 2_675 ?
Rh2 C39 2.128(10) . ?
Rh2 C41 2.133(11) . ?
Rh2 C42 2.134(10) . ?
Rh2 C43 2.149(10) . ?
Rh2 O4 2.150(6) . ?
Rh2 O3 2.166(6) . ?
Rh3 C52 2.104(11) . ?
Rh3 C49 2.108(12) . ?
Rh3 N6 2.128(7) . ?
Rh3 O6 2.135(7) . ?
Rh3 C51 2.141(11) . ?
Rh3 O5 2.142(7) . ?
Rh3 C50 2.153(11) . ?
Rh3 C53 2.164(11) . ?
Rh4 C62 2.120(9) . ?
Rh4 C59 2.128(9) . ?
Rh4 C60 2.130(10) . ?
Rh4 O7 2.137(6) . ?
Rh4 N5 2.139(7) 2_675 ?
Rh4 C61 2.139(10) . ?
Rh4 C63 2.145(10) . ?
Rh4 O8 2.145(7) . ?
Pd1 N4 1.991(7) . ?
Pd1 N2 1.992(6) . ?
Pd1 N7 2.007(7) . ?
Pd1 N9 2.015(6) . ?
S1 O10 1.423(8) . ?
S1 O11 1.444(8) . ?
S1 O9 1.450(7) . ?
S1 C69 1.836(12) . ?
S2 O14 1.390(11) . ?
S2 O13 1.445(11) . ?
S2 O12 1.461(8) . ?
S2 C70 1.728(19) . ?
S3 O16 1.408(15) . ?
S3 O17 1.453(17) . ?
S3 O15 1.477(16) . ?
S3 C71 1.77(2) . ?
N1 C9 1.328(12) . ?
N1 C5 1.344(12) . ?
N2 C10 1.277(11) . ?
N3 C11 1.349(10) . ?
N3 C10 1.352(11) . ?
N4 C11 1.304(10) . ?
N5 C12 1.321(11) . ?
N5 C16 1.340(11) . ?
N5 Rh4 2.139(7) 2_675 ?
N6 C21 1.312(13) . ?
N6 C17 1.322(13) . ?
N7 C22 1.285(11) . ?
N8 C23 1.354(11) . ?
N8 C22 1.365(11) . ?
N9 C23 1.283(11) . ?
N10 C28 1.330(12) . ?
N10 C24 1.334(12) . ?
N10 Rh2 2.124(7) 2_675 ?
O1 C1 1.229(11) . ?
O2 C2 1.249(11) . ?
O3 C2 1.243(11) . ?
O4 C1 1.258(11) . ?
O5 C3 1.242(12) . ?
O6 C4 1.244(11) . ?
O7 C4 1.234(11) . ?
O8 C3 1.243(12) . ?
F1 C69 1.306(14) . ?
F2 C69 1.331(15) . ?
F3 C69 1.345(14) . ?
F4 C70 1.35(2) . ?
F5 C70 1.353(19) . ?
F6 C70 1.34(2) . ?
F7 C71 1.293(18) . ?
F8 C71 1.366(18) . ?
F9 C71 1.311(17) . ?
C1 C2 1.556(13) . ?
C3 C4 1.573(13) . ?
C5 C6 1.373(12) . ?
C6 C7 1.393(13) . ?
C7 C8 1.389(12) . ?
C7 C10 1.518(11) . ?
C8 C9 1.381(12) . ?
C11 C14 1.501(11) . ?
C12 C13 1.385(12) . ?
C13 C14 1.386(11) . ?
C14 C15 1.381(12) . ?
C15 C16 1.371(13) . ?
C17 C18 1.371(14) . ?
C18 C19 1.389(13) . ?
C19 C20 1.370(14) . ?
C19 C22 1.498(12) . ?
C20 C21 1.361(15) . ?
C23 C26 1.505(11) . ?
C24 C25 1.378(13) . ?
C25 C26 1.397(12) . ?
C26 C27 1.398(13) . ?
C27 C28 1.392(13) . ?
C29 C30 1.410(16) . ?
C29 C33 1.445(17) . ?
C29 C34 1.467(16) . ?
C30 C31 1.455(14) . ?
C30 C35 1.515(16) . ?
C31 C32 1.391(15) . ?
C31 C36 1.490(15) . ?
C32 C33 1.478(17) . ?
C32 C37 1.486(15) . ?
C33 C38 1.509(17) . ?
C39 C43 1.393(19) . ?
C39 C40 1.439(18) . ?
C39 C44 1.445(18) . ?
C40 C41 1.445(16) . ?
C40 C45 1.456(19) . ?
C41 C42 1.413(18) . ?
C41 C46 1.495(18) . ?
C42 C43 1.455(18) . ?
C42 C47 1.478(18) . ?
C43 C48 1.482(19) . ?
C49 C50 1.426(18) . ?
C49 C53 1.466(19) . ?
C49 C54 1.50(2) . ?
C50 C51 1.409(18) . ?
C50 C55 1.505(18) . ?
C51 C52 1.445(19) . ?
C51 C56 1.48(2) . ?
C52 C53 1.45(2) . ?
C52 C57 1.49(2) . ?
C53 C58 1.46(2) . ?
C59 C63 1.416(16) . ?
C59 C60 1.477(16) . ?
C59 C64 1.486(17) . ?
C60 C61 1.417(19) . ?
C60 C65 1.494(18) . ?
C61 C62 1.444(18) . ?
C61 C66 1.466(18) . ?
C62 C63 1.391(17) . ?
C62 C67 1.50(2) . ?
C63 C68 1.544(17) . ?
C73 N11 1.10(2) . ?
C73 C74 1.48(3) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C33 Rh1 C29 39.8(5) . . ?
C33 Rh1 C30 65.3(4) . . ?
C29 Rh1 C30 38.7(5) . . ?
C33 Rh1 O2 97.8(4) . . ?
C29 Rh1 O2 128.7(4) . . ?
C30 Rh1 O2 162.9(4) . . ?
C33 Rh1 N1 121.6(4) . . ?
C29 Rh1 N1 94.0(4) . . ?
C30 Rh1 N1 103.0(3) . . ?
O2 Rh1 N1 88.1(3) . . ?
C33 Rh1 O1 152.1(4) . . ?
C29 Rh1 O1 153.2(4) . . ?
C30 Rh1 O1 115.2(4) . . ?
O2 Rh1 O1 78.1(2) . . ?
N1 Rh1 O1 86.1(3) . . ?
C33 Rh1 C32 40.6(5) . . ?
C29 Rh1 C32 67.6(4) . . ?
C30 Rh1 C32 65.9(4) . . ?
O2 Rh1 C32 99.8(3) . . ?
N1 Rh1 C32 161.1(4) . . ?
O1 Rh1 C32 112.3(4) . . ?
C33 Rh1 C31 65.1(4) . . ?
C29 Rh1 C31 66.1(4) . . ?
C30 Rh1 C31 39.7(4) . . ?
O2 Rh1 C31 132.1(3) . . ?
N1 Rh1 C31 139.5(4) . . ?
O1 Rh1 C31 96.9(3) . . ?
C32 Rh1 C31 37.8(4) . . ?
C40 Rh2 N10 107.6(4) . 2_675 ?
C40 Rh2 C39 39.8(5) . . ?
N10 Rh2 C39 145.8(4) 2_675 . ?
C40 Rh2 C41 39.9(5) . . ?
N10 Rh2 C41 95.3(4) 2_675 . ?
C39 Rh2 C41 65.8(4) . . ?
C40 Rh2 C42 66.4(5) . . ?
N10 Rh2 C42 117.6(4) 2_675 . ?
C39 Rh2 C42 65.6(5) . . ?
C41 Rh2 C42 38.7(5) . . ?
C40 Rh2 C43 65.7(5) . . ?
N10 Rh2 C43 157.3(4) 2_675 . ?
C39 Rh2 C43 38.0(5) . . ?
C41 Rh2 C43 65.3(5) . . ?
C42 Rh2 C43 39.7(5) . . ?
C40 Rh2 O4 109.0(4) . . ?
N10 Rh2 O4 83.1(3) 2_675 . ?
C39 Rh2 O4 97.6(4) . . ?
C41 Rh2 O4 146.8(4) . . ?
C42 Rh2 O4 159.3(4) . . ?
C43 Rh2 O4 119.6(4) . . ?
C40 Rh2 O3 166.6(4) . . ?
N10 Rh2 O3 84.5(3) 2_675 . ?
C39 Rh2 O3 129.2(4) . . ?
C41 Rh2 O3 135.5(4) . . ?
C42 Rh2 O3 103.2(4) . . ?
C43 Rh2 O3 100.9(4) . . ?
O4 Rh2 O3 77.5(2) . . ?
C52 Rh3 C49 67.1(5) . . ?
C52 Rh3 N6 116.5(5) . . ?
C49 Rh3 N6 110.0(4) . . ?
C52 Rh3 O6 159.8(4) . . ?
C49 Rh3 O6 107.9(4) . . ?
N6 Rh3 O6 83.7(3) . . ?
C52 Rh3 C51 39.8(5) . . ?
C49 Rh3 C51 65.6(5) . . ?
N6 Rh3 C51 156.3(4) . . ?
O6 Rh3 C51 120.0(4) . . ?
C52 Rh3 O5 102.4(5) . . ?
C49 Rh3 O5 165.1(4) . . ?
N6 Rh3 O5 83.9(3) . . ?
O6 Rh3 O5 78.1(3) . . ?
C51 Rh3 O5 99.6(4) . . ?
C52 Rh3 C50 66.0(5) . . ?
C49 Rh3 C50 39.1(5) . . ?
N6 Rh3 C50 147.9(4) . . ?
O6 Rh3 C50 97.4(4) . . ?
C51 Rh3 C50 38.3(5) . . ?
O5 Rh3 C50 127.9(4) . . ?
C52 Rh3 C53 39.8(6) . . ?
C49 Rh3 C53 40.1(5) . . ?
N6 Rh3 C53 95.3(4) . . ?
O6 Rh3 C53 145.4(5) . . ?
C51 Rh3 C53 65.9(6) . . ?
O5 Rh3 C53 136.4(5) . . ?
C50 Rh3 C53 65.9(5) . . ?
C62 Rh4 C59 66.1(5) . . ?
C62 Rh4 C60 65.6(5) . . ?
C59 Rh4 C60 40.6(4) . . ?
C62 Rh4 O7 118.4(4) . . ?
C59 Rh4 O7 106.6(4) . . ?
C60 Rh4 O7 145.2(4) . . ?
C62 Rh4 N5 154.9(4) . 2_675 ?
C59 Rh4 N5 108.5(4) . 2_675 ?
C60 Rh4 N5 94.0(4) . 2_675 ?
O7 Rh4 N5 86.7(3) . 2_675 ?
C62 Rh4 C61 39.6(5) . . ?
C59 Rh4 C61 66.9(5) . . ?
C60 Rh4 C61 38.8(5) . . ?
O7 Rh4 C61 158.0(4) . . ?
N5 Rh4 C61 115.3(4) 2_675 . ?
C62 Rh4 C63 38.0(4) . . ?
C59 Rh4 C63 38.7(4) . . ?
C60 Rh4 C63 64.8(5) . . ?
O7 Rh4 C63 96.6(4) . . ?
N5 Rh4 C63 146.5(4) 2_675 . ?
C61 Rh4 C63 64.7(5) . . ?
C62 Rh4 O8 98.7(4) . . ?
C59 Rh4 O8 164.6(4) . . ?
C60 Rh4 O8 136.5(4) . . ?
O7 Rh4 O8 78.3(3) . . ?
N5 Rh4 O8 86.1(3) 2_675 . ?
C61 Rh4 O8 103.0(4) . . ?
C63 Rh4 O8 127.2(4) . . ?
N4 Pd1 N2 87.8(3) . . ?
N4 Pd1 N7 179.3(3) . . ?
N2 Pd1 N7 92.7(3) . . ?
N4 Pd1 N9 91.6(3) . . ?
N2 Pd1 N9 179.1(3) . . ?
N7 Pd1 N9 87.9(3) . . ?
O10 S1 O11 116.4(5) . . ?
O10 S1 O9 114.7(5) . . ?
O11 S1 O9 114.3(5) . . ?
O10 S1 C69 102.7(5) . . ?
O11 S1 C69 103.4(6) . . ?
O9 S1 C69 102.8(5) . . ?
O14 S2 O13 113.0(8) . . ?
O14 S2 O12 116.4(6) . . ?
O13 S2 O12 115.7(5) . . ?
O14 S2 C70 104.5(9) . . ?
O13 S2 C70 103.8(8) . . ?
O12 S2 C70 101.1(7) . . ?
O16 S3 O17 131(2) . . ?
O16 S3 O15 106.7(17) . . ?
O17 S3 O15 105.7(19) . . ?
O16 S3 C71 106.9(15) . . ?
O17 S3 C71 101.4(17) . . ?
O15 S3 C71 101.1(13) . . ?
C9 N1 C5 118.5(7) . . ?
C9 N1 Rh1 121.4(6) . . ?
C5 N1 Rh1 118.1(6) . . ?
C10 N2 Pd1 127.2(5) . . ?
C11 N3 C10 121.4(7) . . ?
C11 N4 Pd1 126.8(5) . . ?
C12 N5 C16 119.6(8) . . ?
C12 N5 Rh4 120.0(6) . 2_675 ?
C16 N5 Rh4 118.6(6) . 2_675 ?
C21 N6 C17 118.3(9) . . ?
C21 N6 Rh3 122.3(7) . . ?
C17 N6 Rh3 119.5(6) . . ?
C22 N7 Pd1 127.1(6) . . ?
C23 N8 C22 121.0(7) . . ?
C23 N9 Pd1 125.9(6) . . ?
C28 N10 C24 118.8(7) . . ?
C28 N10 Rh2 120.4(6) . 2_675 ?
C24 N10 Rh2 120.8(6) . 2_675 ?
C1 O1 Rh1 113.3(6) . . ?
C2 O2 Rh1 113.7(6) . . ?
C2 O3 Rh2 111.5(6) . . ?
C1 O4 Rh2 113.5(6) . . ?
C3 O5 Rh3 112.8(6) . . ?
C4 O6 Rh3 113.1(6) . . ?
C4 O7 Rh4 113.5(6) . . ?
C3 O8 Rh4 113.6(6) . . ?
O1 C1 O4 126.4(9) . . ?
O1 C1 C2 117.8(8) . . ?
O4 C1 C2 115.8(8) . . ?
O3 C2 O2 124.7(9) . . ?
O3 C2 C1 118.7(8) . . ?
O2 C2 C1 116.6(8) . . ?
O5 C3 O8 126.4(9) . . ?
O5 C3 C4 117.2(9) . . ?
O8 C3 C4 116.4(8) . . ?
O7 C4 O6 125.8(9) . . ?
O7 C4 C3 117.9(8) . . ?
O6 C4 C3 116.3(8) . . ?
N1 C5 C6 121.2(9) . . ?
C5 C6 C7 121.2(8) . . ?
C8 C7 C6 116.0(7) . . ?
C8 C7 C10 123.0(8) . . ?
C6 C7 C10 121.0(7) . . ?
C9 C8 C7 119.9(9) . . ?
N1 C9 C8 122.7(8) . . ?
N2 C10 N3 128.7(7) . . ?
N2 C10 C7 119.8(7) . . ?
N3 C10 C7 111.4(7) . . ?
N4 C11 N3 128.0(7) . . ?
N4 C11 C14 119.1(7) . . ?
N3 C11 C14 112.8(7) . . ?
N5 C12 C13 122.5(8) . . ?
C12 C13 C14 118.7(8) . . ?
C15 C14 C13 117.6(8) . . ?
C15 C14 C11 119.5(7) . . ?
C13 C14 C11 122.8(7) . . ?
C16 C15 C14 120.9(8) . . ?
N5 C16 C15 120.6(8) . . ?
N6 C17 C18 122.0(9) . . ?
C17 C18 C19 120.5(9) . . ?
C20 C19 C18 115.6(9) . . ?
C20 C19 C22 123.2(8) . . ?
C18 C19 C22 121.1(8) . . ?
C21 C20 C19 120.8(10) . . ?
N6 C21 C20 122.9(10) . . ?
N7 C22 N8 128.3(8) . . ?
N7 C22 C19 121.3(7) . . ?
N8 C22 C19 110.4(7) . . ?
N9 C23 N8 129.7(7) . . ?
N9 C23 C26 119.7(7) . . ?
N8 C23 C26 110.5(7) . . ?
N10 C24 C25 122.3(8) . . ?
C24 C25 C26 120.1(9) . . ?
C25 C26 C27 116.9(8) . . ?
C25 C26 C23 122.8(8) . . ?
C27 C26 C23 120.3(8) . . ?
C28 C27 C26 119.3(9) . . ?
N10 C28 C27 122.5(9) . . ?
C30 C29 C33 106.5(9) . . ?
C30 C29 C34 125.8(13) . . ?
C33 C29 C34 127.6(13) . . ?
C30 C29 Rh1 70.7(6) . . ?
C33 C29 Rh1 69.6(6) . . ?
C34 C29 Rh1 126.3(8) . . ?
C29 C30 C31 109.0(10) . . ?
C29 C30 C35 125.9(11) . . ?
C31 C30 C35 124.9(11) . . ?
C29 C30 Rh1 70.6(6) . . ?
C31 C30 Rh1 71.1(5) . . ?
C35 C30 Rh1 127.3(8) . . ?
C32 C31 C30 109.4(10) . . ?
C32 C31 C36 127.5(10) . . ?
C30 C31 C36 123.1(10) . . ?
C32 C31 Rh1 70.8(5) . . ?
C30 C31 Rh1 69.2(5) . . ?
C36 C31 Rh1 124.3(8) . . ?
C31 C32 C33 106.3(9) . . ?
C31 C32 C37 126.9(11) . . ?
C33 C32 C37 126.8(11) . . ?
C31 C32 Rh1 71.4(5) . . ?
C33 C32 Rh1 68.6(5) . . ?
C37 C32 Rh1 124.9(8) . . ?
C29 C33 C32 108.8(9) . . ?
C29 C33 C38 126.5(13) . . ?
C32 C33 C38 124.7(13) . . ?
C29 C33 Rh1 70.6(6) . . ?
C32 C33 Rh1 70.8(6) . . ?
C38 C33 Rh1 122.8(8) . . ?
C43 C39 C40 109.1(11) . . ?
C43 C39 C44 125.6(15) . . ?
C40 C39 C44 125.3(14) . . ?
C43 C39 Rh2 71.8(6) . . ?
C40 C39 Rh2 69.1(6) . . ?
C44 C39 Rh2 125.3(9) . . ?
C39 C40 C41 106.6(11) . . ?
C39 C40 C45 125.0(14) . . ?
C41 C40 C45 128.2(14) . . ?
C39 C40 Rh2 71.1(6) . . ?
C41 C40 Rh2 71.2(6) . . ?
C45 C40 Rh2 126.6(9) . . ?
C42 C41 C40 108.6(10) . . ?
C42 C41 C46 127.4(13) . . ?
C40 C41 C46 124.0(13) . . ?
C42 C41 Rh2 70.7(6) . . ?
C40 C41 Rh2 68.9(6) . . ?
C46 C41 Rh2 124.0(9) . . ?
C41 C42 C43 107.3(10) . . ?
C41 C42 C47 125.3(13) . . ?
C43 C42 C47 127.3(14) . . ?
C41 C42 Rh2 70.6(6) . . ?
C43 C42 Rh2 70.7(6) . . ?
C47 C42 Rh2 126.9(10) . . ?
C39 C43 C42 108.4(11) . . ?
C39 C43 C48 127.6(16) . . ?
C42 C43 C48 124.0(16) . . ?
C39 C43 Rh2 70.2(6) . . ?
C42 C43 Rh2 69.6(6) . . ?
C48 C43 Rh2 125.6(10) . . ?
C50 C49 C53 108.5(12) . . ?
C50 C49 C54 127.2(13) . . ?
C53 C49 C54 123.8(13) . . ?
C50 C49 Rh3 72.2(7) . . ?
C53 C49 Rh3 72.0(7) . . ?
C54 C49 Rh3 128.0(9) . . ?
C51 C50 C49 108.6(12) . . ?
C51 C50 C55 128.2(13) . . ?
C49 C50 C55 123.1(13) . . ?
C51 C50 Rh3 70.4(6) . . ?
C49 C50 Rh3 68.8(6) . . ?
C55 C50 Rh3 124.4(9) . . ?
C50 C51 C52 108.8(13) . . ?
C50 C51 C56 125.6(13) . . ?
C52 C51 C56 125.5(14) . . ?
C50 C51 Rh3 71.3(6) . . ?
C52 C51 Rh3 68.7(6) . . ?
C56 C51 Rh3 122.7(10) . . ?
C51 C52 C53 107.9(12) . . ?
C51 C52 C57 124.1(17) . . ?
C53 C52 C57 127.9(16) . . ?
C51 C52 Rh3 71.5(6) . . ?
C53 C52 Rh3 72.3(7) . . ?
C57 C52 Rh3 124.1(9) . . ?
C52 C53 C58 128.2(15) . . ?
C52 C53 C49 105.8(11) . . ?
C58 C53 C49 125.6(16) . . ?
C52 C53 Rh3 67.9(6) . . ?
C58 C53 Rh3 123.8(10) . . ?
C49 C53 Rh3 67.9(6) . . ?
C63 C59 C60 104.8(11) . . ?
C63 C59 C64 128.3(11) . . ?
C60 C59 C64 127.0(11) . . ?
C63 C59 Rh4 71.3(6) . . ?
C60 C59 Rh4 69.8(6) . . ?
C64 C59 Rh4 123.8(7) . . ?
C61 C60 C59 108.7(11) . . ?
C61 C60 C65 128.8(12) . . ?
C59 C60 C65 122.5(13) . . ?
C61 C60 Rh4 71.0(6) . . ?
C59 C60 Rh4 69.7(5) . . ?
C65 C60 Rh4 126.2(8) . . ?
C60 C61 C62 107.1(11) . . ?
C60 C61 C66 128.3(14) . . ?
C62 C61 C66 124.5(13) . . ?
C60 C61 Rh4 70.3(6) . . ?
C62 C61 Rh4 69.5(6) . . ?
C66 C61 Rh4 124.0(9) . . ?
C63 C62 C61 108.0(11) . . ?
C63 C62 C67 126.0(13) . . ?
C61 C62 C67 126.0(13) . . ?
C63 C62 Rh4 71.9(6) . . ?
C61 C62 Rh4 70.9(6) . . ?
C67 C62 Rh4 124.0(9) . . ?
C62 C63 C59 111.2(11) . . ?
C62 C63 C68 125.5(12) . . ?
C59 C63 C68 123.0(11) . . ?
C62 C63 Rh4 70.0(6) . . ?
C59 C63 Rh4 70.0(6) . . ?
C68 C63 Rh4 121.9(8) . . ?
F1 C69 F2 109.1(11) . . ?
F1 C69 F3 108.2(11) . . ?
F2 C69 F3 107.2(10) . . ?
F1 C69 S1 111.7(9) . . ?
F2 C69 S1 110.7(9) . . ?
F3 C69 S1 109.9(9) . . ?
F6 C70 F4 111.8(16) . . ?
F6 C70 F5 101.4(16) . . ?
F4 C70 F5 107.1(14) . . ?
F6 C70 S2 112.3(12) . . ?
F4 C70 S2 108.9(15) . . ?
F5 C70 S2 115.2(13) . . ?
F7 C71 F9 108(2) . . ?
F7 C71 F8 100(2) . . ?
F9 C71 F8 99(3) . . ?
F7 C71 S3 127(2) . . ?
F9 C71 S3 109.9(18) . . ?
F8 C71 S3 109(2) . . ?
N11 C73 C74 171(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
Rh1 O1 C1 O4 -172.3(7) . . . . ?
Rh1 O1 C1 C2 6.3(9) . . . . ?
Rh2 O4 C1 O1 168.7(7) . . . . ?
Rh2 O4 C1 C2 -10.0(9) . . . . ?
Rh2 O3 C2 O2 -165.9(7) . . . . ?
Rh2 O3 C2 C1 15.2(9) . . . . ?
Rh1 O2 C2 O3 177.1(7) . . . . ?
Rh1 O2 C2 C1 -3.9(9) . . . . ?
O1 C1 C2 O3 177.3(8) . . . . ?
O4 C1 C2 O3 -3.9(11) . . . . ?
O1 C1 C2 O2 -1.7(11) . . . . ?
O4 C1 C2 O2 177.1(7) . . . . ?
Rh3 O5 C3 O8 170.6(8) . . . . ?
Rh3 O5 C3 C4 -9.6(10) . . . . ?
Rh4 O8 C3 O5 -174.1(8) . . . . ?
Rh4 O8 C3 C4 6.1(10) . . . . ?
Rh4 O7 C4 O6 177.8(8) . . . . ?
Rh4 O7 C4 C3 -2.1(10) . . . . ?
Rh3 O6 C4 O7 -166.6(8) . . . . ?
Rh3 O6 C4 C3 13.3(10) . . . . ?
O5 C3 C4 O7 177.3(9) . . . . ?
O8 C3 C4 O7 -2.9(13) . . . . ?
O5 C3 C4 O6 -2.6(13) . . . . ?
O8 C3 C4 O6 177.2(9) . . . . ?
C9 N1 C5 C6 4.1(15) . . . . ?
Rh1 N1 C5 C6 -160.1(8) . . . . ?
N1 C5 C6 C7 1.9(15) . . . . ?
C5 C6 C7 C8 -6.6(14) . . . . ?
C5 C6 C7 C10 172.5(9) . . . . ?
C6 C7 C8 C9 5.5(13) . . . . ?
C10 C7 C8 C9 -173.6(9) . . . . ?
C5 N1 C9 C8 -5.3(15) . . . . ?
Rh1 N1 C9 C8 158.4(8) . . . . ?
C7 C8 C9 N1 0.3(16) . . . . ?
Pd1 N2 C10 N3 2.2(13) . . . . ?
Pd1 N2 C10 C7 178.6(5) . . . . ?
C11 N3 C10 N2 1.4(13) . . . . ?
C11 N3 C10 C7 -175.2(7) . . . . ?
C8 C7 C10 N2 16.8(12) . . . . ?
C6 C7 C10 N2 -162.2(8) . . . . ?
C8 C7 C10 N3 -166.2(8) . . . . ?
C6 C7 C10 N3 14.8(11) . . . . ?
Pd1 N4 C11 N3 1.2(12) . . . . ?
Pd1 N4 C11 C14 -178.4(5) . . . . ?
C10 N3 C11 N4 -3.2(13) . . . . ?
C10 N3 C11 C14 176.4(7) . . . . ?
C16 N5 C12 C13 1.2(13) . . . . ?
Rh4 N5 C12 C13 -163.1(7) 2_675 . . . ?
N5 C12 C13 C14 1.5(13) . . . . ?
C12 C13 C14 C15 -2.7(12) . . . . ?
C12 C13 C14 C11 172.2(7) . . . . ?
N4 C11 C14 C15 155.8(8) . . . . ?
N3 C11 C14 C15 -23.8(11) . . . . ?
N4 C11 C14 C13 -19.0(12) . . . . ?
N3 C11 C14 C13 161.4(8) . . . . ?
C13 C14 C15 C16 1.3(13) . . . . ?
C11 C14 C15 C16 -173.8(8) . . . . ?
C12 N5 C16 C15 -2.7(14) . . . . ?
Rh4 N5 C16 C15 161.8(7) 2_675 . . . ?
C14 C15 C16 N5 1.4(15) . . . . ?
C21 N6 C17 C18 1.5(17) . . . . ?
Rh3 N6 C17 C18 -176.7(9) . . . . ?
N6 C17 C18 C19 -1.3(18) . . . . ?
C17 C18 C19 C20 0.0(16) . . . . ?
C17 C18 C19 C22 177.4(10) . . . . ?
C18 C19 C20 C21 1.1(17) . . . . ?
C22 C19 C20 C21 -176.1(10) . . . . ?
C17 N6 C21 C20 -0.3(18) . . . . ?
Rh3 N6 C21 C20 177.8(10) . . . . ?
C19 C20 C21 N6 -1(2) . . . . ?
Pd1 N7 C22 N8 0.8(13) . . . . ?
Pd1 N7 C22 C19 -177.9(6) . . . . ?
C23 N8 C22 N7 -2.9(14) . . . . ?
C23 N8 C22 C19 176.0(7) . . . . ?
C20 C19 C22 N7 -162.3(10) . . . . ?
C18 C19 C22 N7 20.5(13) . . . . ?
C20 C19 C22 N8 18.7(13) . . . . ?
C18 C19 C22 N8 -158.4(9) . . . . ?
Pd1 N9 C23 N8 -0.2(13) . . . . ?
Pd1 N9 C23 C26 177.1(6) . . . . ?
C22 N8 C23 N9 2.5(14) . . . . ?
C22 N8 C23 C26 -175.0(7) . . . . ?
C28 N10 C24 C25 -2.1(15) . . . . ?
Rh2 N10 C24 C25 176.9(8) 2_675 . . . ?
N10 C24 C25 C26 1.6(16) . . . . ?
C24 C25 C26 C27 0.4(15) . . . . ?
C24 C25 C26 C23 -178.0(9) . . . . ?
N9 C23 C26 C25 -18.9(13) . . . . ?
N8 C23 C26 C25 158.8(9) . . . . ?
N9 C23 C26 C27 162.7(8) . . . . ?
N8 C23 C26 C27 -19.5(11) . . . . ?
C25 C26 C27 C28 -1.8(14) . . . . ?
C23 C26 C27 C28 176.7(9) . . . . ?
C24 N10 C28 C27 0.6(15) . . . . ?
Rh2 N10 C28 C27 -178.4(8) 2_675 . . . ?
C26 C27 C28 N10 1.3(15) . . . . ?
C33 C29 C30 C31 0.2(11) . . . . ?
C34 C29 C30 C31 -177.7(11) . . . . ?
Rh1 C29 C30 C31 60.9(7) . . . . ?
C33 C29 C30 C35 176.8(10) . . . . ?
C34 C29 C30 C35 -1.1(18) . . . . ?
Rh1 C29 C30 C35 -122.5(11) . . . . ?
C33 C29 C30 Rh1 -60.7(7) . . . . ?
C34 C29 C30 Rh1 121.4(11) . . . . ?
C29 C30 C31 C32 -1.1(11) . . . . ?
C35 C30 C31 C32 -177.7(10) . . . . ?
Rh1 C30 C31 C32 59.6(7) . . . . ?
C29 C30 C31 C36 -178.8(10) . . . . ?
C35 C30 C31 C36 4.6(16) . . . . ?
Rh1 C30 C31 C36 -118.2(10) . . . . ?
C29 C30 C31 Rh1 -60.7(7) . . . . ?
C35 C30 C31 Rh1 122.7(11) . . . . ?
C30 C31 C32 C33 1.5(11) . . . . ?
C36 C31 C32 C33 179.1(10) . . . . ?
Rh1 C31 C32 C33 60.1(6) . . . . ?
C30 C31 C32 C37 -178.8(10) . . . . ?
C36 C31 C32 C37 -1.2(18) . . . . ?
Rh1 C31 C32 C37 -120.2(11) . . . . ?
C30 C31 C32 Rh1 -58.6(7) . . . . ?
C36 C31 C32 Rh1 119.0(11) . . . . ?
C30 C29 C33 C32 0.7(11) . . . . ?
C34 C29 C33 C32 178.5(11) . . . . ?
Rh1 C29 C33 C32 -60.7(7) . . . . ?
C30 C29 C33 C38 178.3(10) . . . . ?
C34 C29 C33 C38 -3.8(18) . . . . ?
Rh1 C29 C33 C38 116.9(11) . . . . ?
C30 C29 C33 Rh1 61.4(7) . . . . ?
C34 C29 C33 Rh1 -120.7(12) . . . . ?
C31 C32 C33 C29 -1.3(11) . . . . ?
C37 C32 C33 C29 178.9(10) . . . . ?
Rh1 C32 C33 C29 60.6(7) . . . . ?
C31 C32 C33 C38 -179.1(10) . . . . ?
C37 C32 C33 C38 1.2(17) . . . . ?
Rh1 C32 C33 C38 -117.1(11) . . . . ?
C31 C32 C33 Rh1 -61.9(7) . . . . ?
C37 C32 C33 Rh1 118.3(11) . . . . ?
C43 C39 C40 C41 1.8(12) . . . . ?
C44 C39 C40 C41 -178.0(11) . . . . ?
Rh2 C39 C40 C41 62.8(7) . . . . ?
C43 C39 C40 C45 177.0(12) . . . . ?
C44 C39 C40 C45 -2.8(19) . . . . ?
Rh2 C39 C40 C45 -122.0(12) . . . . ?
C43 C39 C40 Rh2 -61.0(8) . . . . ?
C44 C39 C40 Rh2 119.2(12) . . . . ?
C39 C40 C41 C42 -2.9(12) . . . . ?
C45 C40 C41 C42 -178.0(12) . . . . ?
Rh2 C40 C41 C42 59.7(8) . . . . ?
C39 C40 C41 C46 179.8(11) . . . . ?
C45 C40 C41 C46 4.7(19) . . . . ?
Rh2 C40 C41 C46 -117.6(12) . . . . ?
C39 C40 C41 Rh2 -62.7(7) . . . . ?
C45 C40 C41 Rh2 122.3(13) . . . . ?
C40 C41 C42 C43 2.9(12) . . . . ?
C46 C41 C42 C43 -179.9(12) . . . . ?
Rh2 C41 C42 C43 61.5(7) . . . . ?
C40 C41 C42 C47 179.3(12) . . . . ?
C46 C41 C42 C47 -3(2) . . . . ?
Rh2 C41 C42 C47 -122.1(13) . . . . ?
C40 C41 C42 Rh2 -58.6(7) . . . . ?
C46 C41 C42 Rh2 118.6(13) . . . . ?
C40 C39 C43 C42 0.0(13) . . . . ?
C44 C39 C43 C42 179.8(11) . . . . ?
Rh2 C39 C43 C42 -59.3(8) . . . . ?
C40 C39 C43 C48 179.6(12) . . . . ?
C44 C39 C43 C48 -1(2) . . . . ?
Rh2 C39 C43 C48 120.3(14) . . . . ?
C40 C39 C43 Rh2 59.3(7) . . . . ?
C44 C39 C43 Rh2 -120.8(12) . . . . ?
C41 C42 C43 C39 -1.8(13) . . . . ?
C47 C42 C43 C39 -178.1(12) . . . . ?
Rh2 C42 C43 C39 59.7(8) . . . . ?
C41 C42 C43 C48 178.6(12) . . . . ?
C47 C42 C43 C48 2(2) . . . . ?
Rh2 C42 C43 C48 -119.9(13) . . . . ?
C41 C42 C43 Rh2 -61.5(7) . . . . ?
C47 C42 C43 Rh2 122.2(13) . . . . ?
C53 C49 C50 C51 -3.9(13) . . . . ?
C54 C49 C50 C51 -176.1(12) . . . . ?
Rh3 C49 C50 C51 59.3(8) . . . . ?
C53 C49 C50 C55 178.7(11) . . . . ?
C54 C49 C50 C55 6.5(19) . . . . ?
Rh3 C49 C50 C55 -118.0(12) . . . . ?
C53 C49 C50 Rh3 -63.3(8) . . . . ?
C54 C49 C50 Rh3 124.5(13) . . . . ?
C49 C50 C51 C52 0.4(13) . . . . ?
C55 C50 C51 C52 177.6(12) . . . . ?
Rh3 C50 C51 C52 58.7(8) . . . . ?
C49 C50 C51 C56 -175.6(12) . . . . ?
C55 C50 C51 C56 2(2) . . . . ?
Rh3 C50 C51 C56 -117.3(14) . . . . ?
C49 C50 C51 Rh3 -58.3(8) . . . . ?
C55 C50 C51 Rh3 118.9(13) . . . . ?
C50 C51 C52 C53 3.3(13) . . . . ?
C56 C51 C52 C53 179.4(12) . . . . ?
Rh3 C51 C52 C53 63.6(8) . . . . ?
C50 C51 C52 C57 -179.5(11) . . . . ?
C56 C51 C52 C57 -3(2) . . . . ?
Rh3 C51 C52 C57 -119.2(12) . . . . ?
C50 C51 C52 Rh3 -60.3(8) . . . . ?
C56 C51 C52 Rh3 115.8(13) . . . . ?
C51 C52 C53 C58 -179.4(12) . . . . ?
C57 C52 C53 C58 4(2) . . . . ?
Rh3 C52 C53 C58 -116.3(13) . . . . ?
C51 C52 C53 C49 -5.6(12) . . . . ?
C57 C52 C53 C49 177.4(11) . . . . ?
Rh3 C52 C53 C49 57.5(8) . . . . ?
C51 C52 C53 Rh3 -63.1(8) . . . . ?
C57 C52 C53 Rh3 119.9(13) . . . . ?
C50 C49 C53 C52 5.9(12) . . . . ?
C54 C49 C53 C52 178.4(11) . . . . ?
Rh3 C49 C53 C52 -57.5(7) . . . . ?
C50 C49 C53 C58 179.9(12) . . . . ?
C54 C49 C53 C58 -7.6(19) . . . . ?
Rh3 C49 C53 C58 116.5(13) . . . . ?
C50 C49 C53 Rh3 63.3(8) . . . . ?
C54 C49 C53 Rh3 -124.1(11) . . . . ?
C63 C59 C60 C61 -2.7(11) . . . . ?
C64 C59 C60 C61 178.2(9) . . . . ?
Rh4 C59 C60 C61 60.5(7) . . . . ?
C63 C59 C60 C65 176.1(9) . . . . ?
C64 C59 C60 C65 -3.0(16) . . . . ?
Rh4 C59 C60 C65 -120.7(10) . . . . ?
C63 C59 C60 Rh4 -63.2(6) . . . . ?
C64 C59 C60 Rh4 117.7(10) . . . . ?
C59 C60 C61 C62 0.3(11) . . . . ?
C65 C60 C61 C62 -178.4(10) . . . . ?
Rh4 C60 C61 C62 60.0(7) . . . . ?
C59 C60 C61 C66 -177.9(11) . . . . ?
C65 C60 C61 C66 3.3(19) . . . . ?
Rh4 C60 C61 C66 -118.2(12) . . . . ?
C59 C60 C61 Rh4 -59.7(7) . . . . ?
C65 C60 C61 Rh4 121.6(11) . . . . ?
C60 C61 C62 C63 2.3(11) . . . . ?
C66 C61 C62 C63 -179.4(11) . . . . ?
Rh4 C61 C62 C63 62.8(7) . . . . ?
C60 C61 C62 C67 -179.1(11) . . . . ?
C66 C61 C62 C67 -0.8(18) . . . . ?
Rh4 C61 C62 C67 -118.7(12) . . . . ?
C60 C61 C62 Rh4 -60.5(7) . . . . ?
C66 C61 C62 Rh4 117.8(11) . . . . ?
C61 C62 C63 C59 -4.2(11) . . . . ?
C67 C62 C63 C59 177.3(11) . . . . ?
Rh4 C62 C63 C59 57.9(7) . . . . ?
C61 C62 C63 C68 -177.7(10) . . . . ?
C67 C62 C63 C68 3.7(17) . . . . ?
Rh4 C62 C63 C68 -115.6(11) . . . . ?
C61 C62 C63 Rh4 -62.1(7) . . . . ?
C67 C62 C63 Rh4 119.3(12) . . . . ?
C60 C59 C63 C62 4.2(11) . . . . ?
C64 C59 C63 C62 -176.6(9) . . . . ?
Rh4 C59 C63 C62 -57.9(7) . . . . ?
C60 C59 C63 C68 177.9(9) . . . . ?
C64 C59 C63 C68 -2.9(16) . . . . ?
Rh4 C59 C63 C68 115.8(10) . . . . ?
C60 C59 C63 Rh4 62.1(6) . . . . ?
C64 C59 C63 Rh4 -118.7(10) . . . . ?
O10 S1 C69 F1 -60.9(11) . . . . ?
O11 S1 C69 F1 60.5(11) . . . . ?
O9 S1 C69 F1 179.7(9) . . . . ?
O10 S1 C69 F2 60.9(9) . . . . ?
O11 S1 C69 F2 -177.7(8) . . . . ?
O9 S1 C69 F2 -58.5(9) . . . . ?
O10 S1 C69 F3 179.1(9) . . . . ?
O11 S1 C69 F3 -59.5(10) . . . . ?
O9 S1 C69 F3 59.7(10) . . . . ?
O14 S2 C70 F6 177.2(13) . . . . ?
O13 S2 C70 F6 58.6(14) . . . . ?
O12 S2 C70 F6 -61.6(14) . . . . ?
O14 S2 C70 F4 -58.4(15) . . . . ?
O13 S2 C70 F4 -177.0(12) . . . . ?
O12 S2 C70 F4 62.8(14) . . . . ?
O14 S2 C70 F5 61.8(17) . . . . ?
O13 S2 C70 F5 -56.7(17) . . . . ?
O12 S2 C70 F5 -177.0(14) . . . . ?
O16 S3 C71 F7 170(3) . . . . ?
O17 S3 C71 F7 -50(3) . . . . ?
O15 S3 C71 F7 58(3) . . . . ?
O16 S3 C71 F9 37(3) . . . . ?
O17 S3 C71 F9 177(3) . . . . ?
O15 S3 C71 F9 -74(2) . . . . ?
O16 S3 C71 F8 -70(3) . . . . ?
O17 S3 C71 F8 70(3) . . . . ?
O15 S3 C71 F8 178(2) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N2 H2 O12 0.88 2.25 3.095(10) 161.6 .
N4 H4 O9 0.88 2.19 3.041(9) 163.4 2_676
N7 H7 O12 0.88 2.16 3.015(10) 163.0 .
N9 H9 O9 0.88 2.23 3.072(9) 160.9 2_676
C18 H18 O12 0.95 2.39 3.272(13) 154.5 .
C25 H25 O9 0.95 2.48 3.370(11) 155.3 2_676

_refine_diff_density_max         2.128
_refine_diff_density_min         -1.053
_refine_diff_density_rms         0.164

_shelxl_version_number           2013-2

