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

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_G4_1a
_database_code_depnum_ccdc_archive 'CCDC 1519772'
_audit_update_record             
;
2018-01-07 deposited with the CCDC.
2018-01-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C174 H300 Cl4 Cu4 F12 N4 O56 Rh4 S4'
_chemical_formula_weight         4508.00

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'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh 0.0927 3.6045 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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                   17.0424(8)
_cell_length_b                   17.8943(9)
_cell_length_c                   20.7290(10)
_cell_angle_alpha                97.404(2)
_cell_angle_beta                 111.887(2)
_cell_angle_gamma                110.504(2)
_cell_volume                     5243.8(5)
_cell_formula_units_Z            1
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9771
_cell_measurement_theta_min      2.76
_cell_measurement_theta_max      70.21

_exptl_crystal_description       block
_exptl_crystal_colour            green
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.428
_exptl_crystal_F_000             2356
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.320
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.190
_exptl_absorpt_coefficient_mu    4.490
_shelx_estimated_absorpt_T_min   0.328
_shelx_estimated_absorpt_T_max   0.482
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.222
_exptl_absorpt_correction_T_max  0.384
_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            46876
_diffrn_reflns_av_unetI/netI     0.0704
_diffrn_reflns_av_R_equivalents  0.0570
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.407
_diffrn_reflns_theta_max         67.497
_diffrn_reflns_theta_full        67.497
_diffrn_measured_fraction_theta_max 0.926
_diffrn_measured_fraction_theta_full 0.926
_diffrn_reflns_Laue_measured_fraction_max 0.926
_diffrn_reflns_Laue_measured_fraction_full 0.926
_diffrn_reflns_point_group_measured_fraction_max 0.926
_diffrn_reflns_point_group_measured_fraction_full 0.926
_reflns_number_total             17521
_reflns_number_gt                12913
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          
; 
 One of four tert-butyl groups was disordered and it was 
 divided into two parts (49:51). 27 ISOR and 5 DFIX 
 instructions were used to restrain anions, tert-butyl 
 groups and Cp* fragments so that there were 167 restraints 
 in the data. Hydrogen of methanol molecules could not be 
 found and others were put in calculated positions. 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1016P)²+120.9903P] 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         17521
_refine_ls_number_parameters     1136
_refine_ls_number_restraints     167
_refine_ls_R_factor_all          0.1463
_refine_ls_R_factor_gt           0.1237
_refine_ls_wR_factor_ref         0.3610
_refine_ls_wR_factor_gt          0.3516
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_restrained_S_all      1.088
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.500 0.500 0.500 1059 264 ' '
2 0.034 0.262 0.861 11 0 ' '
3 0.084 0.881 0.452 23 0 ' '
4 0.083 0.583 0.157 7 0 ' '
5 0.245 0.045 0.816 13 -1 ' '
6 0.755 0.955 0.184 14 -1 ' '
7 0.915 0.119 0.548 23 1 ' '
8 0.917 0.417 0.843 7 0 ' '
9 0.966 0.738 0.139 11 0 ' '
_platon_squeeze_void_probe_radius 1.20
_platon_squeeze_details          
; 
 In asymmetric unit of this data, there were disordered 
 solvents (five 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 0.70559(7) 0.42294(7) 0.86825(5) 0.0487(3) Uani 1 1 d . . . . .
Rh2 Rh 0.65337(6) -0.02168(7) 0.92638(5) 0.0452(3) Uani 1 1 d . . . . .
Cu1 Cu 0.28011(12) 0.11430(15) 0.45044(10) 0.0564(6) Uani 1 1 d . . . . .
Cu2 Cu 0.77348(13) 0.27149(18) 0.50143(10) 0.0698(8) Uani 1 1 d . . . . .
Cl1 Cl 0.8789(2) 0.2386(2) 0.9038(2) 0.0628(9) Uani 1 1 d . . . . .
Cl2 Cl 0.4669(2) 0.1527(2) 0.8624(2) 0.0554(8) Uani 1 1 d . . . . .
N1 N 0.6523(6) 0.3556(7) 0.7576(5) 0.044(2) Uani 1 1 d . . . . .
N2 N 0.4011(6) 0.0629(7) 0.1883(5) 0.042(2) Uani 1 1 d . . . . .
O1 O 0.6090(5) 0.3118(5) 0.8717(4) 0.0425(19) Uani 1 1 d . . . . .
O2 O 0.7807(6) 0.3492(6) 0.8888(5) 0.048(2) Uani 1 1 d . . . . .
O3 O 0.7482(5) 0.0888(6) 0.9206(4) 0.0441(19) Uani 1 1 d . . . . .
O4 O 0.5780(5) 0.0530(5) 0.9059(4) 0.0410(18) Uani 1 1 d . . . . .
O5 O 0.4033(5) 0.1800(7) 0.5300(4) 0.054(3) Uani 1 1 d . . . . .
O6 O 0.2214(6) 0.1129(7) 0.5135(5) 0.064(3) Uani 1 1 d . . . . .
O7 O 0.7117(6) 0.2818(7) 0.5606(5) 0.062(3) Uani 1 1 d . . . . .
O8 O 0.8948(6) 0.3234(8) 0.5833(5) 0.075(3) Uani 1 1 d . . . . .
O9 O 0.3432(5) 0.1078(6) 0.3919(4) 0.052(2) Uani 1 1 d . . . . .
O10 O 0.1574(6) 0.0437(7) 0.3707(5) 0.060(3) Uani 1 1 d . . . . .
O11 O 0.6516(6) 0.2093(7) 0.4218(5) 0.063(3) Uani 1 1 d . . . . .
O12 O 0.8338(6) 0.2507(9) 0.4440(5) 0.079(4) Uani 1 1 d . . . . .
O13 O 0.2658(8) 0.8031(7) 0.9425(7) 0.079(3) Uani 1 1 d . . . . .
O14 O 0.2506(17) 0.6697(11) 0.9521(9) 0.154(9) Uani 1 1 d . . . . .
O15 O 0.2400(11) 0.7024(13) 0.8413(8) 0.136(7) Uani 1 1 d . . . . .
O16 O 0.2389(14) 0.1822(12) 0.9060(12) 0.157(9) Uani 1 1 d . . . . .
O17 O 0.2848(13) 0.3086(14) 0.9977(10) 0.141(7) Uani 1 1 d . . . . .
O18 O 0.2055(17) 0.2950(16) 0.8711(15) 0.212(13) Uani 1 1 d . . . . .
O19 O 0.2659(12) 0.2395(11) 0.4242(10) 0.121(5) Uani 1 1 d . . . . .
O20 O 0.7818(11) 0.4006(12) 0.4728(10) 0.120(5) Uani 1 1 d . . . . .
S1 S 0.2301(4) 0.7182(3) 0.9057(2) 0.0789(12) Uani 1 1 d . . . . .
S2 S 0.2618(5) 0.2678(5) 0.9268(4) 0.127(3) Uani 1 1 d . . . . .
F1 F 0.0842(11) 0.7027(12) 0.9245(9) 0.173(8) Uani 1 1 d . . . . .
F2 F 0.0758(10) 0.7261(12) 0.8246(9) 0.150(6) Uani 1 1 d . . . . .
F3 F 0.0558(12) 0.6054(10) 0.8367(10) 0.172(8) Uani 1 1 d . . . . .
F4 F 0.4317(13) 0.2921(13) 0.9727(10) 0.162(7) Uani 1 1 d . . . . .
F5 F 0.3662(15) 0.2891(12) 0.8581(10) 0.166(7) Uani 1 1 d . . . . .
F6 F 0.4044(15) 0.3967(10) 0.9380(14) 0.198(10) Uani 1 1 d D . . . .
C1 C 0.6374(8) 0.2575(8) 0.8816(6) 0.039(3) Uani 1 1 d . . . . .
C2 C 0.7366(8) 0.2782(9) 0.8918(6) 0.043(3) Uani 1 1 d . . . . .
C3 C 0.7698(8) 0.2178(8) 0.9004(6) 0.045(3) Uani 1 1 d . . . . .
C4 C 0.7195(8) 0.1436(7) 0.9082(6) 0.037(3) Uani 1 1 d . . . . .
C5 C 0.6209(7) 0.1225(8) 0.8996(5) 0.037(3) Uani 1 1 d . . . . .
C6 C 0.5822(9) 0.1776(9) 0.8814(6) 0.044(3) Uani 1 1 d . . . . .
C7 C 0.5625(10) 0.3112(10) 0.7151(7) 0.055(3) Uani 1 1 d . . . . .
H7 H 0.5202 0.3132 0.7342 0.066 Uiso 1 1 calc R U . . .
C8 C 0.5244(8) 0.2609(8) 0.6435(6) 0.044(3) Uani 1 1 d . . . . .
C9 C 0.5889(9) 0.2637(9) 0.6159(7) 0.048(3) Uani 1 1 d . . . . .
H9 H 0.5669 0.2335 0.5668 0.058 Uiso 1 1 calc R U . . .
C10 C 0.6837(8) 0.3097(9) 0.6595(6) 0.045(3) Uani 1 1 d . . . . .
C11 C 0.7136(8) 0.3564(9) 0.7311(7) 0.047(3) Uani 1 1 d . . . . .
H11 H 0.7788 0.3894 0.7616 0.056 Uiso 1 1 calc R U . . .
C12 C 0.4211(9) 0.2094(9) 0.5943(7) 0.047(3) Uani 1 1 d . . . . .
C13 C 0.3571(9) 0.2002(10) 0.6222(7) 0.057(4) Uani 1 1 d . . . . .
H13 H 0.3799 0.2284 0.6720 0.068 Uiso 1 1 calc R U . . .
C14 C 0.2604(10) 0.1513(11) 0.5804(7) 0.062(4) Uani 1 1 d . . . . .
C15 C 0.1927(10) 0.1359(14) 0.6166(8) 0.082(6) Uani 1 1 d D . . . .
C16 C 0.114(2) 0.162(3) 0.570(2) 0.073(11) Uani 0.49(3) 1 d . U P A 1
H16A H 0.0609 0.1408 0.5807 0.109 Uiso 0.49(3) 1 calc R U P A 1
H16B H 0.0935 0.1371 0.5177 0.109 Uiso 0.49(3) 1 calc R U P A 1
H16C H 0.1402 0.2226 0.5815 0.109 Uiso 0.49(3) 1 calc R U P A 1
C17 C 0.141(4) 0.040(3) 0.598(3) 0.115(19) Uani 0.49(3) 1 d . U P A 1
H17A H 0.1421 0.0133 0.5536 0.172 Uiso 0.49(3) 1 calc R U P A 1
H17B H 0.0761 0.0239 0.5888 0.172 Uiso 0.49(3) 1 calc R U P A 1
H17C H 0.1727 0.0216 0.6381 0.172 Uiso 0.49(3) 1 calc R U P A 1
C18 C 0.233(3) 0.197(4) 0.688(3) 0.12(2) Uani 0.49(3) 1 d . U P A 1
H18A H 0.1864 0.1845 0.7068 0.182 Uiso 0.49(3) 1 calc R U P A 1
H18B H 0.2501 0.2531 0.6828 0.182 Uiso 0.49(3) 1 calc R U P A 1
H18C H 0.2887 0.1930 0.7216 0.182 Uiso 0.49(3) 1 calc R U P A 1
C16' C 0.0929(19) 0.078(3) 0.5603(19) 0.107(16) Uani 0.51(3) 1 d D U P A 2
H16D H 0.0875 0.0218 0.5454 0.161 Uiso 0.51(3) 1 calc R U P A 2
H16E H 0.0770 0.0989 0.5177 0.161 Uiso 0.51(3) 1 calc R U P A 2
H16F H 0.0498 0.0773 0.5813 0.161 Uiso 0.51(3) 1 calc R U P A 2
C17' C 0.232(2) 0.112(3) 0.6854(16) 0.084(13) Uani 0.51(3) 1 d D U P A 2
H17D H 0.1935 0.1099 0.7109 0.126 Uiso 0.51(3) 1 calc R U P A 2
H17E H 0.2966 0.1539 0.7171 0.126 Uiso 0.51(3) 1 calc R U P A 2
H17F H 0.2314 0.0572 0.6724 0.126 Uiso 0.51(3) 1 calc R U P A 2
C18' C 0.196(5) 0.222(2) 0.640(4) 0.15(2) Uani 0.51(3) 1 d D U P A 2
H18D H 0.1438 0.2165 0.6511 0.218 Uiso 0.51(3) 1 calc R U P A 2
H18E H 0.1919 0.2477 0.6004 0.218 Uiso 0.51(3) 1 calc R U P A 2
H18F H 0.2557 0.2579 0.6834 0.218 Uiso 0.51(3) 1 calc R U P A 2
C19 C 0.7521(9) 0.3116(9) 0.6292(6) 0.049(3) Uani 1 1 d . . . . .
C20 C 0.8463(8) 0.3416(9) 0.6753(7) 0.050(3) Uani 1 1 d . . . . .
H20 H 0.8664 0.3598 0.7263 0.060 Uiso 1 1 calc R U . . .
C21 C 0.9149(10) 0.3468(11) 0.6504(7) 0.061(4) Uani 1 1 d . . . . .
C22 C 1.0182(10) 0.3837(12) 0.7052(9) 0.071(5) Uani 1 1 d . . . . .
C23 C 1.0603(13) 0.3289(17) 0.6795(12) 0.107(8) Uani 1 1 d . . . . .
H23A H 1.1289 0.3574 0.7062 0.160 Uiso 1 1 calc R U . . .
H23B H 1.0410 0.3197 0.6272 0.160 Uiso 1 1 calc R U . . .
H23C H 1.0377 0.2749 0.6888 0.160 Uiso 1 1 calc R U . . .
C24 C 1.0645(16) 0.4700(16) 0.6966(15) 0.123(9) Uani 1 1 d . U . . .
H24A H 1.0372 0.5059 0.7095 0.185 Uiso 1 1 calc R U . . .
H24B H 1.0538 0.4636 0.6459 0.185 Uiso 1 1 calc R U . . .
H24C H 1.1321 0.4954 0.7287 0.185 Uiso 1 1 calc R U . . .
C25 C 1.0376(14) 0.388(2) 0.7798(9) 0.131(11) Uani 1 1 d . . . . .
H25A H 1.0085 0.4194 0.7961 0.196 Uiso 1 1 calc R U . . .
H25B H 1.1056 0.4151 0.8107 0.196 Uiso 1 1 calc R U . . .
H25C H 1.0121 0.3307 0.7834 0.196 Uiso 1 1 calc R U . . .
C26 C 0.3395(8) 0.0531(8) 0.2163(6) 0.044(3) Uani 1 1 d . . . . .
H26 H 0.2741 0.0264 0.1846 0.053 Uiso 1 1 calc R U . . .
C27 C 0.3708(8) 0.0819(8) 0.2918(6) 0.043(3) Uani 1 1 d . . . . .
C28 C 0.4656(8) 0.1210(9) 0.3363(7) 0.047(3) Uani 1 1 d . . . . .
H28 H 0.4883 0.1421 0.3873 0.056 Uiso 1 1 calc R U . . .
C29 C 0.5294(8) 0.1303(9) 0.3071(6) 0.046(3) Uani 1 1 d . . . . .
C30 C 0.4934(8) 0.0999(8) 0.2318(7) 0.045(3) Uani 1 1 d . . . . .
H30 H 0.5354 0.1056 0.2109 0.054 Uiso 1 1 calc R U . . .
C31 C 0.3025(8) 0.0727(8) 0.3234(6) 0.042(3) Uani 1 1 d . . . . .
C32 C 0.2077(8) 0.0312(10) 0.2801(7) 0.058(4) Uani 1 1 d . . . . .
H32 H 0.1867 0.0101 0.2293 0.069 Uiso 1 1 calc R U . . .
C33 C 0.1395(8) 0.0176(9) 0.3048(7) 0.050(3) Uani 1 1 d . . . . .
C34 C 0.0340(11) -0.0340(14) 0.2529(8) 0.076(5) Uani 1 1 d . . . . .
C35 C -0.0187(11) 0.0142(15) 0.2655(10) 0.093(6) Uani 1 1 d . U . . .
H35A H -0.0092 0.0238 0.3160 0.140 Uiso 1 1 calc R U . . .
H35B H -0.0858 -0.0180 0.2324 0.140 Uiso 1 1 calc R U . . .
H35C H 0.0046 0.0681 0.2562 0.140 Uiso 1 1 calc R U . . .
C36 C 0.0146(10) -0.0483(16) 0.1730(9) 0.095(7) Uani 1 1 d . U . . .
H36A H -0.0532 -0.0717 0.1420 0.142 Uiso 1 1 calc R U . . .
H36B H 0.0385 -0.0875 0.1602 0.142 Uiso 1 1 calc R U . . .
H36C H 0.0459 0.0050 0.1656 0.142 Uiso 1 1 calc R U . . .
C37 C 0.0042(12) -0.1152(15) 0.2722(11) 0.097(7) Uani 1 1 d . . . . .
H37A H 0.0196 -0.1026 0.3241 0.146 Uiso 1 1 calc R U . . .
H37B H 0.0373 -0.1466 0.2621 0.146 Uiso 1 1 calc R U . . .
H37C H -0.0636 -0.1487 0.2430 0.146 Uiso 1 1 calc R U . . .
C38 C 0.6325(9) 0.1744(9) 0.3578(7) 0.050(3) Uani 1 1 d . . . . .
C39 C 0.6986(9) 0.1735(11) 0.3323(7) 0.059(4) Uani 1 1 d . . . . .
H39 H 0.6764 0.1470 0.2822 0.071 Uiso 1 1 calc R U . . .
C40 C 0.7943(9) 0.2097(11) 0.3774(7) 0.062(4) Uani 1 1 d . . . . .
C41 C 0.8641(10) 0.2059(13) 0.3477(9) 0.074(5) Uani 1 1 d . U . . .
C42 C 0.9310(16) 0.180(2) 0.3996(12) 0.123(9) Uani 1 1 d . U . . .
H42A H 0.9801 0.1827 0.3849 0.185 Uiso 1 1 calc R U . . .
H42B H 0.8968 0.1225 0.3986 0.185 Uiso 1 1 calc R U . . .
H42C H 0.9595 0.2175 0.4490 0.185 Uiso 1 1 calc R U . . .
C43 C 0.8158(13) 0.1445(15) 0.2714(9) 0.098(7) Uani 1 1 d . U . . .
H43A H 0.7703 0.1601 0.2380 0.148 Uiso 1 1 calc R U . . .
H43B H 0.7833 0.0879 0.2728 0.148 Uiso 1 1 calc R U . . .
H43C H 0.8628 0.1461 0.2546 0.148 Uiso 1 1 calc R U . . .
C44 C 0.9156(15) 0.2897(16) 0.3468(13) 0.118(9) Uani 1 1 d . U . . .
H44A H 0.9608 0.3250 0.3967 0.178 Uiso 1 1 calc R U . . .
H44B H 0.8716 0.3133 0.3254 0.178 Uiso 1 1 calc R U . . .
H44C H 0.9490 0.2870 0.3176 0.178 Uiso 1 1 calc R U . . .
C45 C 0.7281(15) 0.5113(11) 0.9603(8) 0.073(5) Uani 1 1 d . . . . .
C46 C 0.8113(13) 0.5303(13) 0.9602(11) 0.093(7) Uani 1 1 d . . . . .
C47 C 0.8027(13) 0.5484(11) 0.8924(13) 0.087(6) Uani 1 1 d . U . . .
C48 C 0.7083(16) 0.5385(11) 0.8529(9) 0.082(5) Uani 1 1 d . U . . .
C49 C 0.6617(12) 0.5163(11) 0.8963(10) 0.074(5) Uani 1 1 d . . . . .
C50 C 0.702(2) 0.4870(17) 1.0196(13) 0.130(10) Uani 1 1 d . . . . .
H50A H 0.7246 0.4456 1.0347 0.195 Uiso 1 1 calc R U . . .
H50B H 0.6340 0.4630 1.0009 0.195 Uiso 1 1 calc R U . . .
H50C H 0.7316 0.5367 1.0615 0.195 Uiso 1 1 calc R U . . .
C51 C 0.8903(19) 0.5249(17) 1.0189(14) 0.140(11) Uani 1 1 d . U . . .
H51A H 0.8676 0.4715 1.0290 0.210 Uiso 1 1 calc R U . . .
H51B H 0.9167 0.5710 1.0631 0.210 Uiso 1 1 calc R U . . .
H51C H 0.9389 0.5287 1.0033 0.210 Uiso 1 1 calc R U . . .
C52 C 0.882(2) 0.570(2) 0.872(2) 0.190(16) Uani 1 1 d . U . . .
H52A H 0.8594 0.5736 0.8221 0.286 Uiso 1 1 calc R U . . .
H52B H 0.9044 0.5268 0.8752 0.286 Uiso 1 1 calc R U . . .
H52C H 0.9328 0.6241 0.9055 0.286 Uiso 1 1 calc R U . . .
C53 C 0.670(3) 0.555(2) 0.7796(16) 0.170(13) Uani 1 1 d . U . . .
H53A H 0.6030 0.5164 0.7510 0.255 Uiso 1 1 calc R U . . .
H53B H 0.7043 0.5468 0.7529 0.255 Uiso 1 1 calc R U . . .
H53C H 0.6766 0.6127 0.7878 0.255 Uiso 1 1 calc R U . . .
C54 C 0.5629(16) 0.4980(15) 0.8756(16) 0.121(9) Uani 1 1 d . U . . .
H54A H 0.5591 0.5483 0.8965 0.182 Uiso 1 1 calc R U . . .
H54B H 0.5360 0.4529 0.8941 0.182 Uiso 1 1 calc R U . . .
H54C H 0.5278 0.4808 0.8224 0.182 Uiso 1 1 calc R U . . .
C55 C 0.6530(10) -0.0402(9) 1.0278(7) 0.053(3) Uani 1 1 d . . . . .
C56 C 0.5896(10) -0.1160(10) 0.9687(7) 0.055(3) Uani 1 1 d . . . . .
C57 C 0.6447(11) -0.1408(9) 0.9399(7) 0.056(3) Uani 1 1 d . . . . .
C58 C 0.7391(10) -0.0788(10) 0.9771(8) 0.059(4) Uani 1 1 d . . . . .
C59 C 0.7443(11) -0.0163(9) 1.0336(7) 0.058(4) Uani 1 1 d . . . . .
C60 C 0.6296(12) 0.0105(10) 1.0754(8) 0.066(4) Uani 1 1 d . . . . .
H60A H 0.6600 0.0100 1.1258 0.100 Uiso 1 1 calc R U . . .
H60B H 0.5614 -0.0137 1.0580 0.100 Uiso 1 1 calc R U . . .
H60C H 0.6520 0.0682 1.0734 0.100 Uiso 1 1 calc R U . . .
C61 C 0.4882(11) -0.1630(10) 0.9482(9) 0.065(4) Uani 1 1 d . . . . .
H61A H 0.4806 -0.2019 0.9769 0.097 Uiso 1 1 calc R U . . .
H61B H 0.4543 -0.1942 0.8962 0.097 Uiso 1 1 calc R U . . .
H61C H 0.4630 -0.1236 0.9578 0.097 Uiso 1 1 calc R U . . .
C62 C 0.6080(13) -0.2174(11) 0.8800(9) 0.076(5) Uani 1 1 d . . . . .
H62A H 0.6578 -0.2166 0.8668 0.113 Uiso 1 1 calc R U . . .
H62B H 0.5553 -0.2195 0.8375 0.113 Uiso 1 1 calc R U . . .
H62C H 0.5867 -0.2667 0.8959 0.113 Uiso 1 1 calc R U . . .
C63 C 0.8229(12) -0.0755(14) 0.9653(11) 0.089(6) Uani 1 1 d . . . . .
H63A H 0.8548 -0.1026 0.9970 0.134 Uiso 1 1 calc R U . . .
H63B H 0.8666 -0.0171 0.9770 0.134 Uiso 1 1 calc R U . . .
H63C H 0.8015 -0.1048 0.9143 0.134 Uiso 1 1 calc R U . . .
C64 C 0.8312(10) 0.0593(11) 1.0870(8) 0.073(5) Uani 1 1 d . U . . .
H64A H 0.8636 0.0889 1.0611 0.109 Uiso 1 1 calc R U . . .
H64B H 0.8728 0.0421 1.1225 0.109 Uiso 1 1 calc R U . . .
H64C H 0.8143 0.0965 1.1124 0.109 Uiso 1 1 calc R U . . .
C65 C 0.1086(18) 0.6848(15) 0.8729(14) 0.104(7) Uani 1 1 d . U . . .
C66 C 0.370(2) 0.3120(14) 0.9257(18) 0.138(10) Uani 1 1 d D U . . .
C67 C 0.5773(13) 0.0481(10) 0.5696(8) 0.069(4) Uani 1 1 d . . . . .
C68 C 0.4849(14) 0.0202(10) 0.5607(8) 0.067(4) Uani 1 1 d . . . . .
C69 C 0.4079(12) -0.0284(11) 0.4919(11) 0.074(5) Uani 1 1 d . . . . .
C70 C 0.3153(18) -0.0552(14) 0.4853(16) 0.102(7) Uani 1 1 d . . . . .
C71 C 0.298(3) -0.038(2) 0.543(2) 0.139(12) Uani 1 1 d . . . . .
H71 H 0.2361 -0.0577 0.5372 0.167 Uiso 1 1 calc R U . . .
C72 C 0.379(3) 0.010(2) 0.613(2) 0.149(15) Uani 1 1 d . . . . .
H72 H 0.3671 0.0212 0.6542 0.179 Uiso 1 1 calc R U . . .
C73 C 0.473(2) 0.0425(17) 0.6248(16) 0.119(9) Uani 1 1 d . . . . .
C74 C 0.553(2) 0.0891(15) 0.6922(10) 0.104(7) Uani 1 1 d . U . . .
H74 H 0.5451 0.1029 0.7345 0.125 Uiso 1 1 calc R U . . .
C75 C 0.642(2) 0.1149(15) 0.6981(12) 0.110(7) Uani 1 1 d . U . . .
H75 H 0.6944 0.1462 0.7443 0.131 Uiso 1 1 calc R U . . .
C76 C 0.6561(18) 0.0964(14) 0.6388(12) 0.101(7) Uani 1 1 d . U . . .
C77 C 0.7431(19) 0.1229(16) 0.6431(16) 0.120(8) Uani 1 1 d . U . . .
H77 H 0.7955 0.1552 0.6892 0.144 Uiso 1 1 calc R U . . .
C78 C 0.760(2) 0.1050(19) 0.5837(19) 0.130(9) Uani 1 1 d . U . . .
H78 H 0.8221 0.1267 0.5895 0.156 Uiso 1 1 calc R U . . .
C79 C 0.181(2) 0.245(2) 0.419(2) 0.158(13) Uani 1 1 d . . . . .
H79A H 0.1471 0.2502 0.3710 0.237 Uiso 1 1 calc R U . . .
H79B H 0.1967 0.2933 0.4571 0.237 Uiso 1 1 calc R U . . .
H79C H 0.1407 0.1937 0.4245 0.237 Uiso 1 1 calc R U . . .
C80 C 0.876(2) 0.462(2) 0.484(2) 0.177(15) Uani 1 1 d . . . . .
H80A H 0.9234 0.4429 0.5090 0.265 Uiso 1 1 calc R U . . .
H80B H 0.8916 0.5168 0.5134 0.265 Uiso 1 1 calc R U . . .
H80C H 0.8738 0.4648 0.4365 0.265 Uiso 1 1 calc R U . . .
C81 C 0.0825(17) 0.234(2) 0.0117(18) 0.156(14) Uani 1 1 d . . . . .
C82 C 0.365(3) 0.586(3) 0.837(3) 0.20(2) Uani 1 1 d D . . . .
O21 O 0.1748(13) 0.2661(11) 0.0659(11) 0.137(7) Uani 1 1 d . . . . .
O22 O 0.3410(16) 0.6410(18) 0.7937(13) 0.181(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 O2 2.118(9) . ?
Rh1 C48 2.119(18) . ?
Rh1 O1 2.122(8) . ?
Rh1 N1 2.124(10) . ?
Rh1 C47 2.125(16) . ?
Rh1 C45 2.130(15) . ?
Rh1 C49 2.153(18) . ?
Rh1 C46 2.155(16) . ?
Rh2 C58 2.113(14) . ?
Rh2 N2 2.117(10) 2_656 ?
Rh2 O3 2.122(9) . ?
Rh2 O4 2.135(8) . ?
Rh2 C56 2.146(15) . ?
Rh2 C57 2.146(15) . ?
Rh2 C59 2.149(13) . ?
Rh2 C55 2.172(12) . ?
Cu1 O9 1.914(8) . ?
Cu1 O6 1.917(9) . ?
Cu1 O5 1.924(8) . ?
Cu1 O10 1.933(9) . ?
Cu2 O11 1.905(8) . ?
Cu2 O8 1.911(9) . ?
Cu2 O12 1.918(10) . ?
Cu2 O7 1.919(9) . ?
Cu2 O20 2.43(2) . ?
Cl1 C3 1.735(13) . ?
Cl2 C6 1.728(12) . ?
N1 C7 1.308(17) . ?
N1 C11 1.346(15) . ?
N2 C30 1.336(15) . ?
N2 C26 1.350(15) . ?
N2 Rh2 2.117(10) 2_656 ?
O1 C1 1.236(15) . ?
O2 C2 1.252(16) . ?
O3 C4 1.254(14) . ?
O4 C5 1.256(15) . ?
O5 C12 1.245(15) . ?
O6 C14 1.258(16) . ?
O7 C19 1.264(14) . ?
O8 C21 1.274(16) . ?
O9 C31 1.275(14) . ?
O10 C33 1.264(15) . ?
O11 C38 1.257(15) . ?
O12 C40 1.265(16) . ?
O13 S1 1.403(13) . ?
O14 S1 1.406(18) . ?
O15 S1 1.411(16) . ?
O16 S2 1.404(19) . ?
O17 S2 1.393(19) . ?
O18 S2 1.46(2) . ?
O19 C79 1.45(3) . ?
O20 C80 1.50(3) . ?
S1 C65 1.76(3) . ?
S2 C66 1.75(3) . ?
F1 C65 1.33(2) . ?
F2 C65 1.39(3) . ?
F3 C65 1.31(3) . ?
F4 C66 1.33(3) . ?
F5 C66 1.38(3) . ?
F6 C66 1.370(18) . ?
C1 C6 1.408(19) . ?
C1 C2 1.521(16) . ?
C2 C3 1.388(19) . ?
C3 C4 1.372(18) . ?
C4 C5 1.521(15) . ?
C5 C6 1.384(18) . ?
C7 C8 1.402(17) . ?
C8 C9 1.405(17) . ?
C8 C12 1.506(17) . ?
C9 C10 1.376(17) . ?
C10 C11 1.407(17) . ?
C10 C19 1.509(16) . ?
C12 C13 1.386(18) . ?
C13 C14 1.40(2) . ?
C14 C15 1.565(19) . ?
C15 C18 1.46(5) . ?
C15 C16' 1.516(19) . ?
C15 C17' 1.518(19) . ?
C15 C18' 1.53(2) . ?
C15 C17 1.55(5) . ?
C15 C16 1.59(4) . ?
C19 C20 1.378(17) . ?
C20 C21 1.425(18) . ?
C21 C22 1.526(19) . ?
C22 C25 1.44(3) . ?
C22 C24 1.54(3) . ?
C22 C23 1.55(3) . ?
C26 C27 1.405(17) . ?
C27 C28 1.372(16) . ?
C27 C31 1.508(16) . ?
C28 C29 1.402(18) . ?
C29 C30 1.393(17) . ?
C29 C38 1.500(17) . ?
C31 C32 1.369(17) . ?
C32 C33 1.397(17) . ?
C33 C34 1.542(19) . ?
C34 C35 1.51(3) . ?
C34 C37 1.52(3) . ?
C34 C36 1.53(2) . ?
C38 C39 1.414(18) . ?
C39 C40 1.386(19) . ?
C40 C41 1.544(19) . ?
C41 C44 1.45(3) . ?
C41 C42 1.50(3) . ?
C41 C43 1.53(2) . ?
C45 C46 1.34(3) . ?
C45 C49 1.42(2) . ?
C45 C50 1.52(3) . ?
C46 C47 1.45(3) . ?
C46 C51 1.48(3) . ?
C47 C48 1.44(3) . ?
C47 C52 1.50(3) . ?
C48 C49 1.41(3) . ?
C48 C53 1.53(3) . ?
C49 C54 1.47(3) . ?
C55 C59 1.41(2) . ?
C55 C56 1.438(19) . ?
C55 C60 1.51(2) . ?
C56 C57 1.44(2) . ?
C56 C61 1.49(2) . ?
C57 C58 1.42(2) . ?
C57 C62 1.48(2) . ?
C58 C59 1.47(2) . ?
C58 C63 1.52(2) . ?
C59 C64 1.50(2) . ?
C67 C68 1.40(3) . ?
C67 C69 1.42(3) 2_656 ?
C67 C76 1.43(3) . ?
C68 C69 1.41(2) . ?
C68 C73 1.45(3) . ?
C69 C67 1.42(3) 2_656 ?
C69 C70 1.42(3) . ?
C70 C71 1.34(4) . ?
C70 C78 1.41(4) 2_656 ?
C71 C72 1.46(5) . ?
C72 C73 1.41(5) . ?
C73 C74 1.41(4) . ?
C74 C75 1.37(4) . ?
C75 C76 1.36(3) . ?
C76 C77 1.35(4) . ?
C77 C78 1.39(4) . ?
C78 C70 1.41(4) 2_656 ?
C81 O21 1.40(3) . ?
C82 O22 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
O2 Rh1 C48 146.3(7) . . ?
O2 Rh1 O1 76.8(3) . . ?
C48 Rh1 O1 136.9(7) . . ?
O2 Rh1 N1 83.8(4) . . ?
C48 Rh1 N1 98.1(5) . . ?
O1 Rh1 N1 84.4(4) . . ?
O2 Rh1 C47 108.3(7) . . ?
C48 Rh1 C47 39.6(8) . . ?
O1 Rh1 C47 164.0(6) . . ?
N1 Rh1 C47 111.0(7) . . ?
O2 Rh1 C45 117.0(5) . . ?
C48 Rh1 C45 64.5(6) . . ?
O1 Rh1 C45 100.5(6) . . ?
N1 Rh1 C45 159.2(6) . . ?
C47 Rh1 C45 63.5(8) . . ?
O2 Rh1 C49 155.8(5) . . ?
C48 Rh1 C49 38.7(7) . . ?
O1 Rh1 C49 103.9(6) . . ?
N1 Rh1 C49 120.4(6) . . ?
C47 Rh1 C49 65.1(7) . . ?
C45 Rh1 C49 38.9(6) . . ?
O2 Rh1 C46 95.3(6) . . ?
C48 Rh1 C46 65.9(8) . . ?
O1 Rh1 C46 126.1(8) . . ?
N1 Rh1 C46 148.6(8) . . ?
C47 Rh1 C46 39.6(9) . . ?
C45 Rh1 C46 36.4(8) . . ?
C49 Rh1 C46 64.4(7) . . ?
C58 Rh2 N2 111.1(5) . 2_656 ?
C58 Rh2 O3 103.8(5) . . ?
N2 Rh2 O3 85.2(4) 2_656 . ?
C58 Rh2 O4 164.0(5) . . ?
N2 Rh2 O4 84.9(4) 2_656 . ?
O3 Rh2 O4 76.3(3) . . ?
C58 Rh2 C56 66.3(6) . . ?
N2 Rh2 C56 112.7(5) 2_656 . ?
O3 Rh2 C56 161.5(4) . . ?
O4 Rh2 C56 108.8(5) . . ?
C58 Rh2 C57 39.0(6) . . ?
N2 Rh2 C57 94.4(5) 2_656 . ?
O3 Rh2 C57 139.4(5) . . ?
O4 Rh2 C57 144.3(5) . . ?
C56 Rh2 C57 39.2(6) . . ?
C58 Rh2 C59 40.2(6) . . ?
N2 Rh2 C59 151.0(5) 2_656 . ?
O3 Rh2 C59 96.7(5) . . ?
O4 Rh2 C59 123.8(5) . . ?
C56 Rh2 C59 65.4(5) . . ?
C57 Rh2 C59 65.5(5) . . ?
C58 Rh2 C55 65.7(6) . . ?
N2 Rh2 C55 151.4(5) 2_656 . ?
O3 Rh2 C55 123.4(4) . . ?
O4 Rh2 C55 100.5(5) . . ?
C56 Rh2 C55 38.9(5) . . ?
C57 Rh2 C55 64.9(6) . . ?
C59 Rh2 C55 38.2(6) . . ?
O9 Cu1 O6 174.0(5) . . ?
O9 Cu1 O5 86.0(3) . . ?
O6 Cu1 O5 92.2(4) . . ?
O9 Cu1 O10 93.3(4) . . ?
O6 Cu1 O10 88.3(4) . . ?
O5 Cu1 O10 177.3(5) . . ?
O11 Cu2 O8 174.2(6) . . ?
O11 Cu2 O12 92.6(4) . . ?
O8 Cu2 O12 87.1(4) . . ?
O11 Cu2 O7 86.9(4) . . ?
O8 Cu2 O7 92.8(4) . . ?
O12 Cu2 O7 174.3(6) . . ?
O11 Cu2 O20 91.4(6) . . ?
O8 Cu2 O20 94.4(6) . . ?
O12 Cu2 O20 92.5(6) . . ?
O7 Cu2 O20 93.1(5) . . ?
C7 N1 C11 119.0(11) . . ?
C7 N1 Rh1 122.4(8) . . ?
C11 N1 Rh1 118.5(8) . . ?
C30 N2 C26 120.7(10) . . ?
C30 N2 Rh2 121.4(8) . 2_656 ?
C26 N2 Rh2 117.8(7) . 2_656 ?
C1 O1 Rh1 114.8(8) . . ?
C2 O2 Rh1 115.3(8) . . ?
C4 O3 Rh2 116.2(7) . . ?
C5 O4 Rh2 115.1(7) . . ?
C12 O5 Cu1 125.8(8) . . ?
C14 O6 Cu1 127.2(9) . . ?
C19 O7 Cu2 125.1(8) . . ?
C21 O8 Cu2 127.9(9) . . ?
C31 O9 Cu1 124.9(7) . . ?
C33 O10 Cu1 125.9(8) . . ?
C38 O11 Cu2 126.6(8) . . ?
C40 O12 Cu2 126.9(9) . . ?
C80 O20 Cu2 116.4(19) . . ?
O13 S1 O14 113.8(9) . . ?
O13 S1 O15 114.8(11) . . ?
O14 S1 O15 116.8(13) . . ?
O13 S1 C65 102.2(10) . . ?
O14 S1 C65 103.7(15) . . ?
O15 S1 C65 103.0(10) . . ?
O17 S2 O16 120.3(15) . . ?
O17 S2 O18 114.1(17) . . ?
O16 S2 O18 114.3(14) . . ?
O17 S2 C66 101.2(14) . . ?
O16 S2 C66 101.5(14) . . ?
O18 S2 C66 101.4(17) . . ?
O1 C1 C6 123.6(11) . . ?
O1 C1 C2 117.3(11) . . ?
C6 C1 C2 119.0(11) . . ?
O2 C2 C3 125.2(12) . . ?
O2 C2 C1 115.8(11) . . ?
C3 C2 C1 119.0(12) . . ?
C4 C3 C2 121.5(12) . . ?
C4 C3 Cl1 119.9(10) . . ?
C2 C3 Cl1 118.6(10) . . ?
O3 C4 C3 124.5(11) . . ?
O3 C4 C5 115.7(11) . . ?
C3 C4 C5 119.8(11) . . ?
O4 C5 C6 124.1(11) . . ?
O4 C5 C4 116.7(11) . . ?
C6 C5 C4 119.0(11) . . ?
C5 C6 C1 120.7(11) . . ?
C5 C6 Cl2 121.2(10) . . ?
C1 C6 Cl2 118.1(9) . . ?
N1 C7 C8 124.5(12) . . ?
C7 C8 C9 115.9(11) . . ?
C7 C8 C12 124.8(11) . . ?
C9 C8 C12 119.2(11) . . ?
C10 C9 C8 120.7(11) . . ?
C9 C10 C11 118.1(11) . . ?
C9 C10 C19 119.9(11) . . ?
C11 C10 C19 121.9(11) . . ?
N1 C11 C10 121.7(11) . . ?
O5 C12 C13 126.9(12) . . ?
O5 C12 C8 113.2(10) . . ?
C13 C12 C8 120.0(11) . . ?
C12 C13 C14 123.2(13) . . ?
O6 C14 C13 124.5(12) . . ?
O6 C14 C15 114.6(12) . . ?
C13 C14 C15 120.8(12) . . ?
C16' C15 C17' 117(3) . . ?
C16' C15 C18' 107(4) . . ?
C17' C15 C18' 107(3) . . ?
C18 C15 C17 126(4) . . ?
C18 C15 C14 114(2) . . ?
C16' C15 C14 110.2(19) . . ?
C17' C15 C14 110.3(16) . . ?
C18' C15 C14 103(3) . . ?
C17 C15 C14 105(2) . . ?
C18 C15 C16 100(3) . . ?
C17 C15 C16 104(3) . . ?
C14 C15 C16 104.4(17) . . ?
O7 C19 C20 127.5(11) . . ?
O7 C19 C10 112.2(10) . . ?
C20 C19 C10 120.3(11) . . ?
C19 C20 C21 123.3(12) . . ?
O8 C21 C20 123.2(12) . . ?
O8 C21 C22 117.0(13) . . ?
C20 C21 C22 119.8(12) . . ?
C25 C22 C21 116.1(16) . . ?
C25 C22 C24 112.4(19) . . ?
C21 C22 C24 106.0(16) . . ?
C25 C22 C23 108.4(18) . . ?
C21 C22 C23 106.8(13) . . ?
C24 C22 C23 106.6(19) . . ?
N2 C26 C27 120.9(10) . . ?
C28 C27 C26 118.3(11) . . ?
C28 C27 C31 120.4(11) . . ?
C26 C27 C31 121.2(10) . . ?
C27 C28 C29 120.7(12) . . ?
C30 C29 C28 117.9(11) . . ?
C30 C29 C38 123.3(11) . . ?
C28 C29 C38 118.8(11) . . ?
N2 C30 C29 121.5(11) . . ?
O9 C31 C32 126.2(11) . . ?
O9 C31 C27 112.7(10) . . ?
C32 C31 C27 121.1(11) . . ?
C31 C32 C33 125.1(12) . . ?
O10 C33 C32 124.2(11) . . ?
O10 C33 C34 113.9(11) . . ?
C32 C33 C34 121.9(12) . . ?
C35 C34 C37 110.6(16) . . ?
C35 C34 C36 106.7(16) . . ?
C37 C34 C36 112.7(18) . . ?
C35 C34 C33 109.0(15) . . ?
C37 C34 C33 106.2(14) . . ?
C36 C34 C33 111.7(13) . . ?
O11 C38 C39 125.7(12) . . ?
O11 C38 C29 114.0(10) . . ?
C39 C38 C29 120.3(11) . . ?
C40 C39 C38 122.9(12) . . ?
O12 C40 C39 125.3(13) . . ?
O12 C40 C41 113.4(12) . . ?
C39 C40 C41 121.3(12) . . ?
C44 C41 C42 109.4(18) . . ?
C44 C41 C43 109.9(17) . . ?
C42 C41 C43 109.4(18) . . ?
C44 C41 C40 107.6(16) . . ?
C42 C41 C40 107.7(15) . . ?
C43 C41 C40 112.9(13) . . ?
C46 C45 C49 112.3(18) . . ?
C46 C45 C50 127(2) . . ?
C49 C45 C50 121(2) . . ?
C46 C45 Rh1 72.8(10) . . ?
C49 C45 Rh1 71.4(9) . . ?
C50 C45 Rh1 123.6(14) . . ?
C45 C46 C47 106.9(17) . . ?
C45 C46 C51 123(3) . . ?
C47 C46 C51 130(2) . . ?
C45 C46 Rh1 70.8(10) . . ?
C47 C46 Rh1 69.1(9) . . ?
C51 C46 Rh1 121.4(16) . . ?
C48 C47 C46 107.3(15) . . ?
C48 C47 C52 130(3) . . ?
C46 C47 C52 122(3) . . ?
C48 C47 Rh1 70.0(9) . . ?
C46 C47 Rh1 71.3(10) . . ?
C52 C47 Rh1 122.5(18) . . ?
C49 C48 C47 107.5(16) . . ?
C49 C48 C53 127(3) . . ?
C47 C48 C53 125(2) . . ?
C49 C48 Rh1 72.0(11) . . ?
C47 C48 Rh1 70.4(11) . . ?
C53 C48 Rh1 126.0(15) . . ?
C48 C49 C45 106.0(17) . . ?
C48 C49 C54 125(2) . . ?
C45 C49 C54 129(2) . . ?
C48 C49 Rh1 69.4(10) . . ?
C45 C49 Rh1 69.7(10) . . ?
C54 C49 Rh1 123.0(13) . . ?
C59 C55 C56 109.0(13) . . ?
C59 C55 C60 123.4(13) . . ?
C56 C55 C60 127.6(13) . . ?
C59 C55 Rh2 70.0(7) . . ?
C56 C55 Rh2 69.6(8) . . ?
C60 C55 Rh2 124.2(11) . . ?
C55 C56 C57 107.1(12) . . ?
C55 C56 C61 124.8(13) . . ?
C57 C56 C61 127.7(14) . . ?
C55 C56 Rh2 71.5(8) . . ?
C57 C56 Rh2 70.4(8) . . ?
C61 C56 Rh2 128.3(11) . . ?
C58 C57 C56 108.8(13) . . ?
C58 C57 C62 125.8(15) . . ?
C56 C57 C62 125.4(14) . . ?
C58 C57 Rh2 69.3(8) . . ?
C56 C57 Rh2 70.4(8) . . ?
C62 C57 Rh2 125.2(11) . . ?
C57 C58 C59 107.2(13) . . ?
C57 C58 C63 128.8(15) . . ?
C59 C58 C63 124.0(15) . . ?
C57 C58 Rh2 71.8(8) . . ?
C59 C58 Rh2 71.2(8) . . ?
C63 C58 Rh2 123.8(13) . . ?
C55 C59 C58 107.8(13) . . ?
C55 C59 C64 126.8(14) . . ?
C58 C59 C64 125.4(15) . . ?
C55 C59 Rh2 71.8(8) . . ?
C58 C59 Rh2 68.6(7) . . ?
C64 C59 Rh2 124.8(11) . . ?
F3 C65 F1 107(2) . . ?
F3 C65 F2 104(2) . . ?
F1 C65 F2 103(2) . . ?
F3 C65 S1 116(2) . . ?
F1 C65 S1 113.3(18) . . ?
F2 C65 S1 111.3(17) . . ?
F4 C66 F6 111(3) . . ?
F4 C66 F5 109(2) . . ?
F6 C66 F5 99(2) . . ?
F4 C66 S2 110(2) . . ?
F6 C66 S2 113(2) . . ?
F5 C66 S2 114(2) . . ?
C68 C67 C69 118.9(14) . 2_656 ?
C68 C67 C76 121.7(19) . . ?
C69 C67 C76 119(2) 2_656 . ?
C67 C68 C69 120.8(15) . . ?
C67 C68 C73 117(2) . . ?
C69 C68 C73 122(2) . . ?
C68 C69 C67 120.3(16) . 2_656 ?
C68 C69 C70 119(2) . . ?
C67 C69 C70 121(2) 2_656 . ?
C71 C70 C78 120(3) . 2_656 ?
C71 C70 C69 122(3) . . ?
C78 C70 C69 117(3) 2_656 . ?
C70 C71 C72 118(3) . . ?
C73 C72 C71 124(3) . . ?
C74 C73 C72 126(3) . . ?
C74 C73 C68 119(3) . . ?
C72 C73 C68 115(3) . . ?
C75 C74 C73 122(2) . . ?
C76 C75 C74 121(2) . . ?
C77 C76 C75 122(3) . . ?
C77 C76 C67 119(2) . . ?
C75 C76 C67 120(3) . . ?
C76 C77 C78 123(3) . . ?
C77 C78 C70 121(3) . 2_656 ?

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 C6 -176.1(8) . . . . ?
Rh1 O1 C1 C2 1.5(12) . . . . ?
Rh1 O2 C2 C3 176.1(9) . . . . ?
Rh1 O2 C2 C1 -1.1(12) . . . . ?
O1 C1 C2 O2 -0.3(15) . . . . ?
C6 C1 C2 O2 177.5(10) . . . . ?
O1 C1 C2 C3 -177.7(10) . . . . ?
C6 C1 C2 C3 0.1(15) . . . . ?
O2 C2 C3 C4 175.5(11) . . . . ?
C1 C2 C3 C4 -7.4(16) . . . . ?
O2 C2 C3 Cl1 -2.8(16) . . . . ?
C1 C2 C3 Cl1 174.3(8) . . . . ?
Rh2 O3 C4 C3 -178.0(9) . . . . ?
Rh2 O3 C4 C5 0.3(12) . . . . ?
C2 C3 C4 O3 -175.5(11) . . . . ?
Cl1 C3 C4 O3 2.8(16) . . . . ?
C2 C3 C4 C5 6.3(16) . . . . ?
Cl1 C3 C4 C5 -175.4(8) . . . . ?
Rh2 O4 C5 C6 175.4(8) . . . . ?
Rh2 O4 C5 C4 -0.7(11) . . . . ?
O3 C4 C5 O4 0.3(14) . . . . ?
C3 C4 C5 O4 178.7(10) . . . . ?
O3 C4 C5 C6 -176.1(10) . . . . ?
C3 C4 C5 C6 2.3(15) . . . . ?
O4 C5 C6 C1 174.3(10) . . . . ?
C4 C5 C6 C1 -9.6(16) . . . . ?
O4 C5 C6 Cl2 -2.3(16) . . . . ?
C4 C5 C6 Cl2 173.8(8) . . . . ?
O1 C1 C6 C5 -173.9(10) . . . . ?
C2 C1 C6 C5 8.5(16) . . . . ?
O1 C1 C6 Cl2 2.8(16) . . . . ?
C2 C1 C6 Cl2 -174.9(8) . . . . ?
C11 N1 C7 C8 2(2) . . . . ?
Rh1 N1 C7 C8 -175.1(11) . . . . ?
N1 C7 C8 C9 -4(2) . . . . ?
N1 C7 C8 C12 179.8(14) . . . . ?
C7 C8 C9 C10 4(2) . . . . ?
C12 C8 C9 C10 -179.7(13) . . . . ?
C8 C9 C10 C11 -3(2) . . . . ?
C8 C9 C10 C19 179.6(13) . . . . ?
C7 N1 C11 C10 -1(2) . . . . ?
Rh1 N1 C11 C10 176.6(11) . . . . ?
C9 C10 C11 N1 1(2) . . . . ?
C19 C10 C11 N1 179.0(13) . . . . ?
Cu1 O5 C12 C13 1(2) . . . . ?
Cu1 O5 C12 C8 -177.8(9) . . . . ?
C7 C8 C12 O5 169.8(14) . . . . ?
C9 C8 C12 O5 -6.5(19) . . . . ?
C7 C8 C12 C13 -9(2) . . . . ?
C9 C8 C12 C13 174.6(14) . . . . ?
O5 C12 C13 C14 3(3) . . . . ?
C8 C12 C13 C14 -178.0(15) . . . . ?
Cu1 O6 C14 C13 -3(3) . . . . ?
Cu1 O6 C14 C15 -179.2(12) . . . . ?
C12 C13 C14 O6 -2(3) . . . . ?
C12 C13 C14 C15 173.8(17) . . . . ?
O6 C14 C15 C18 -165(4) . . . . ?
C13 C14 C15 C18 19(4) . . . . ?
O6 C14 C15 C16' -1(4) . . . . ?
C13 C14 C15 C16' -178(3) . . . . ?
O6 C14 C15 C17' 130(2) . . . . ?
C13 C14 C15 C17' -47(3) . . . . ?
O6 C14 C15 C18' -116(3) . . . . ?
C13 C14 C15 C18' 68(4) . . . . ?
O6 C14 C15 C17 53(3) . . . . ?
C13 C14 C15 C17 -123(3) . . . . ?
O6 C14 C15 C16 -56(2) . . . . ?
C13 C14 C15 C16 128(2) . . . . ?
Cu2 O7 C19 C20 -1(2) . . . . ?
Cu2 O7 C19 C10 -179.1(10) . . . . ?
C9 C10 C19 O7 13(2) . . . . ?
C11 C10 C19 O7 -164.9(14) . . . . ?
C9 C10 C19 C20 -165.7(14) . . . . ?
C11 C10 C19 C20 16(2) . . . . ?
O7 C19 C20 C21 3(3) . . . . ?
C10 C19 C20 C21 -178.7(15) . . . . ?
Cu2 O8 C21 C20 -4(3) . . . . ?
Cu2 O8 C21 C22 177.6(12) . . . . ?
C19 C20 C21 O8 0(3) . . . . ?
C19 C20 C21 C22 177.9(16) . . . . ?
O8 C21 C22 C25 -163(2) . . . . ?
C20 C21 C22 C25 19(3) . . . . ?
O8 C21 C22 C24 71(2) . . . . ?
C20 C21 C22 C24 -107(2) . . . . ?
O8 C21 C22 C23 -42(2) . . . . ?
C20 C21 C22 C23 139.6(18) . . . . ?
C30 N2 C26 C27 0(2) . . . . ?
Rh2 N2 C26 C27 -177.5(10) 2_656 . . . ?
N2 C26 C27 C28 1(2) . . . . ?
N2 C26 C27 C31 178.8(12) . . . . ?
C26 C27 C28 C29 -1(2) . . . . ?
C31 C27 C28 C29 -179.5(13) . . . . ?
C27 C28 C29 C30 1(2) . . . . ?
C27 C28 C29 C38 179.3(13) . . . . ?
C26 N2 C30 C29 -1(2) . . . . ?
Rh2 N2 C30 C29 177.2(10) 2_656 . . . ?
C28 C29 C30 N2 0(2) . . . . ?
C38 C29 C30 N2 -178.2(13) . . . . ?
Cu1 O9 C31 C32 -2(2) . . . . ?
Cu1 O9 C31 C27 176.8(9) . . . . ?
C28 C27 C31 O9 3.1(19) . . . . ?
C26 C27 C31 O9 -175.0(13) . . . . ?
C28 C27 C31 C32 -177.7(14) . . . . ?
C26 C27 C31 C32 4(2) . . . . ?
O9 C31 C32 C33 -3(3) . . . . ?
C27 C31 C32 C33 178.0(15) . . . . ?
Cu1 O10 C33 C32 5(2) . . . . ?
Cu1 O10 C33 C34 -176.9(12) . . . . ?
C31 C32 C33 O10 2(3) . . . . ?
C31 C32 C33 C34 -176.6(16) . . . . ?
O10 C33 C34 C35 50(2) . . . . ?
C32 C33 C34 C35 -131.2(17) . . . . ?
O10 C33 C34 C37 -68.7(19) . . . . ?
C32 C33 C34 C37 109.7(18) . . . . ?
O10 C33 C34 C36 168.1(17) . . . . ?
C32 C33 C34 C36 -14(3) . . . . ?
Cu2 O11 C38 C39 1(2) . . . . ?
Cu2 O11 C38 C29 -179.8(10) . . . . ?
C30 C29 C38 O11 168.8(14) . . . . ?
C28 C29 C38 O11 -9(2) . . . . ?
C30 C29 C38 C39 -12(2) . . . . ?
C28 C29 C38 C39 170.0(14) . . . . ?
O11 C38 C39 C40 2(3) . . . . ?
C29 C38 C39 C40 -176.8(16) . . . . ?
Cu2 O12 C40 C39 2(3) . . . . ?
Cu2 O12 C40 C41 179.3(13) . . . . ?
C38 C39 C40 O12 -4(3) . . . . ?
C38 C39 C40 C41 178.8(17) . . . . ?
O12 C40 C41 C44 -68(2) . . . . ?
C39 C40 C41 C44 109(2) . . . . ?
O12 C40 C41 C42 49(2) . . . . ?
C39 C40 C41 C42 -133(2) . . . . ?
O12 C40 C41 C43 170.2(18) . . . . ?
C39 C40 C41 C43 -12(3) . . . . ?
C49 C45 C46 C47 -1(2) . . . . ?
C50 C45 C46 C47 179.4(18) . . . . ?
Rh1 C45 C46 C47 60.0(12) . . . . ?
C49 C45 C46 C51 -176.4(18) . . . . ?
C50 C45 C46 C51 4(3) . . . . ?
Rh1 C45 C46 C51 -116(2) . . . . ?
C49 C45 C46 Rh1 -60.9(13) . . . . ?
C50 C45 C46 Rh1 119(2) . . . . ?
C45 C46 C47 C48 0(2) . . . . ?
C51 C46 C47 C48 175(2) . . . . ?
Rh1 C46 C47 C48 61.1(12) . . . . ?
C45 C46 C47 C52 -178(2) . . . . ?
C51 C46 C47 C52 -3(4) . . . . ?
Rh1 C46 C47 C52 -117(2) . . . . ?
C45 C46 C47 Rh1 -61.1(13) . . . . ?
C51 C46 C47 Rh1 114(2) . . . . ?
C46 C47 C48 C49 1(2) . . . . ?
C52 C47 C48 C49 179(2) . . . . ?
Rh1 C47 C48 C49 62.8(13) . . . . ?
C46 C47 C48 C53 177(2) . . . . ?
C52 C47 C48 C53 -5(4) . . . . ?
Rh1 C47 C48 C53 -121(2) . . . . ?
C46 C47 C48 Rh1 -61.9(13) . . . . ?
C52 C47 C48 Rh1 116(3) . . . . ?
C47 C48 C49 C45 -1(2) . . . . ?
C53 C48 C49 C45 -178(2) . . . . ?
Rh1 C48 C49 C45 60.5(12) . . . . ?
C47 C48 C49 C54 -178.3(18) . . . . ?
C53 C48 C49 C54 5(3) . . . . ?
Rh1 C48 C49 C54 -116.5(19) . . . . ?
C47 C48 C49 Rh1 -61.8(12) . . . . ?
C53 C48 C49 Rh1 122(2) . . . . ?
C46 C45 C49 C48 1(2) . . . . ?
C50 C45 C49 C48 -178.8(17) . . . . ?
Rh1 C45 C49 C48 -60.3(12) . . . . ?
C46 C45 C49 C54 178.3(19) . . . . ?
C50 C45 C49 C54 -2(3) . . . . ?
Rh1 C45 C49 C54 117(2) . . . . ?
C46 C45 C49 Rh1 61.7(14) . . . . ?
C50 C45 C49 Rh1 -118.6(18) . . . . ?
C59 C55 C56 C57 2.6(16) . . . . ?
C60 C55 C56 C57 179.9(14) . . . . ?
Rh2 C55 C56 C57 61.8(10) . . . . ?
C59 C55 C56 C61 176.6(14) . . . . ?
C60 C55 C56 C61 -6(2) . . . . ?
Rh2 C55 C56 C61 -124.3(15) . . . . ?
C59 C55 C56 Rh2 -59.1(10) . . . . ?
C60 C55 C56 Rh2 118.1(15) . . . . ?
C55 C56 C57 C58 -3.8(16) . . . . ?
C61 C56 C57 C58 -177.5(15) . . . . ?
Rh2 C56 C57 C58 58.7(10) . . . . ?
C55 C56 C57 C62 177.6(14) . . . . ?
C61 C56 C57 C62 4(2) . . . . ?
Rh2 C56 C57 C62 -119.9(15) . . . . ?
C55 C56 C57 Rh2 -62.5(10) . . . . ?
C61 C56 C57 Rh2 123.7(16) . . . . ?
C56 C57 C58 C59 3.5(16) . . . . ?
C62 C57 C58 C59 -177.9(14) . . . . ?
Rh2 C57 C58 C59 62.9(10) . . . . ?
C56 C57 C58 C63 -178.5(16) . . . . ?
C62 C57 C58 C63 0(3) . . . . ?
Rh2 C57 C58 C63 -119.1(18) . . . . ?
C56 C57 C58 Rh2 -59.4(10) . . . . ?
C62 C57 C58 Rh2 119.2(15) . . . . ?
C56 C55 C59 C58 -0.5(16) . . . . ?
C60 C55 C59 C58 -177.9(13) . . . . ?
Rh2 C55 C59 C58 -59.4(9) . . . . ?
C56 C55 C59 C64 179.1(14) . . . . ?
C60 C55 C59 C64 2(2) . . . . ?
Rh2 C55 C59 C64 120.3(15) . . . . ?
C56 C55 C59 Rh2 58.8(10) . . . . ?
C60 C55 C59 Rh2 -118.5(14) . . . . ?
C57 C58 C59 C55 -1.8(16) . . . . ?
C63 C58 C59 C55 -180.0(15) . . . . ?
Rh2 C58 C59 C55 61.4(10) . . . . ?
C57 C58 C59 C64 178.5(14) . . . . ?
C63 C58 C59 C64 0(2) . . . . ?
Rh2 C58 C59 C64 -118.2(14) . . . . ?
C57 C58 C59 Rh2 -63.2(10) . . . . ?
C63 C58 C59 Rh2 118.6(17) . . . . ?
O13 S1 C65 F3 -179(2) . . . . ?
O14 S1 C65 F3 -60(2) . . . . ?
O15 S1 C65 F3 62(2) . . . . ?
O13 S1 C65 F1 -53(2) . . . . ?
O14 S1 C65 F1 65(2) . . . . ?
O15 S1 C65 F1 -173(2) . . . . ?
O13 S1 C65 F2 62.5(17) . . . . ?
O14 S1 C65 F2 -179.0(15) . . . . ?
O15 S1 C65 F2 -56.9(19) . . . . ?
O17 S2 C66 F4 64(2) . . . . ?
O16 S2 C66 F4 -61(2) . . . . ?
O18 S2 C66 F4 -179(2) . . . . ?
O17 S2 C66 F6 -61(3) . . . . ?
O16 S2 C66 F6 174(2) . . . . ?
O18 S2 C66 F6 56(3) . . . . ?
O17 S2 C66 F5 -173.4(19) . . . . ?
O16 S2 C66 F5 62(2) . . . . ?
O18 S2 C66 F5 -56(2) . . . . ?
C69 C67 C68 C69 2(3) 2_656 . . . ?
C76 C67 C68 C69 -179.1(16) . . . . ?
C69 C67 C68 C73 -179.3(16) 2_656 . . . ?
C76 C67 C68 C73 0(2) . . . . ?
C67 C68 C69 C67 -2(3) . . . 2_656 ?
C73 C68 C69 C67 179.3(16) . . . 2_656 ?
C67 C68 C69 C70 -179.8(16) . . . . ?
C73 C68 C69 C70 1(3) . . . . ?
C68 C69 C70 C71 -2(3) . . . . ?
C67 C69 C70 C71 179(2) 2_656 . . . ?
C68 C69 C70 C78 -178.7(19) . . . 2_656 ?
C67 C69 C70 C78 3(3) 2_656 . . 2_656 ?
C78 C70 C71 C72 177(2) 2_656 . . . ?
C69 C70 C71 C72 1(4) . . . . ?
C70 C71 C72 C73 2(4) . . . . ?
C71 C72 C73 C74 -179(3) . . . . ?
C71 C72 C73 C68 -3(4) . . . . ?
C67 C68 C73 C74 -1(3) . . . . ?
C69 C68 C73 C74 178.0(18) . . . . ?
C67 C68 C73 C72 -177.8(18) . . . . ?
C69 C68 C73 C72 1(3) . . . . ?
C72 C73 C74 C75 177(2) . . . . ?
C68 C73 C74 C75 1(3) . . . . ?
C73 C74 C75 C76 0(4) . . . . ?
C74 C75 C76 C77 178(2) . . . . ?
C74 C75 C76 C67 -1(3) . . . . ?
C68 C67 C76 C77 -178.5(19) . . . . ?
C69 C67 C76 C77 1(3) 2_656 . . . ?
C68 C67 C76 C75 1(3) . . . . ?
C69 C67 C76 C75 -179.6(18) 2_656 . . . ?
C75 C76 C77 C78 -180(2) . . . . ?
C67 C76 C77 C78 0(4) . . . . ?
C76 C77 C78 C70 -2(4) . . . 2_656 ?

_refine_diff_density_max         2.278
_refine_diff_density_min         -0.987
_refine_diff_density_rms         0.167

####################################################################### 
# 
# 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_2b
_database_code_depnum_ccdc_archive 'CCDC 1571144'
_audit_update_record             
;
2018-01-07 deposited with the CCDC.
2018-01-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C145 H200 Cu F18 N8 O43 Rh6 S6'
_chemical_formula_weight         3958.48

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   17.6712(13)
_cell_length_b                   19.6113(16)
_cell_length_c                   28.815(2)
_cell_angle_alpha                94.4150(10)
_cell_angle_beta                 102.6510(10)
_cell_angle_gamma                112.7280(10)
_cell_volume                     8841.0(12)
_cell_formula_units_Z            2
_cell_measurement_temperature    213(2)
_cell_measurement_reflns_used    7365
_cell_measurement_theta_min      2.28
_cell_measurement_theta_max      22.60

_exptl_crystal_description       block
_exptl_crystal_colour            green
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.487
_exptl_crystal_F_000             4054
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.230
_exptl_crystal_size_mid          0.210
_exptl_crystal_size_min          0.180
_exptl_absorpt_coefficient_mu    0.828
_shelx_estimated_absorpt_T_min   0.832
_shelx_estimated_absorpt_T_max   0.865
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.684
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      213(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            58302
_diffrn_reflns_av_unetI/netI     0.1322
_diffrn_reflns_av_R_equivalents  0.0536
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_theta_min         0.736
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measured_fraction_theta_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_point_group_measured_fraction_full 0.989
_reflns_number_total             34417
_reflns_number_gt                17204
_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 tert-butyl fragments and two triflate anions were 
 disordered and they were divided into two parts (61:39, 
 57:43 for t-Bu group and 61:39, 39:61 for anions). 77 ISOR, 
 5 SIMU and 57 DFIX instructions were used to restrain 
 anions, ligands and Cp* fragments so that there were 687 
 restraints in the data. Hydrogen of some methanol and water 
 molecules could not be found and others were put in 
 calculated positions. 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1664P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         34417
_refine_ls_number_parameters     2050
_refine_ls_number_restraints     687
_refine_ls_R_factor_all          0.1479
_refine_ls_R_factor_gt           0.0811
_refine_ls_wR_factor_ref         0.2782
_refine_ls_wR_factor_gt          0.2247
_refine_ls_goodness_of_fit_ref   0.965
_refine_ls_restrained_S_all      0.967
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.500 0.996 0.500 1653 551 ' '
2 0.195 0.885 0.021 12 2 ' '
3 0.283 0.151 0.651 21 6 ' '
4 0.274 0.952 0.947 9 0 ' '
5 0.430 0.648 0.997 81 8 ' '
6 0.570 0.352 1.003 81 8 ' '
7 0.717 0.848 0.349 21 6 ' '
8 0.726 0.048 0.053 8 0 ' '
9 0.804 0.115 0.979 12 2 ' '
_platon_squeeze_void_probe_radius 1.20
_platon_squeeze_details          
; 
 In asymmetric unit of this data, there were disordered 
 anions and solvents (two triflate anions, one diethyl ether, 
 two methanol and two 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 0.45233(4) 1.03784(4) 0.88110(2) 0.02759(17) Uani 1 1 d . . . . .
Rh2 Rh 0.45045(5) 0.49397(4) 0.82706(3) 0.0386(2) Uani 1 1 d . . . . .
Rh3 Rh 0.38998(5) 1.01334(4) 0.62610(3) 0.0383(2) Uani 1 1 d . . . . .
Rh4 Rh 0.25901(6) 0.39762(5) 0.56448(3) 0.0518(2) Uani 1 1 d . . . . .
Rh5 Rh -0.09051(4) 0.82388(4) 0.77388(3) 0.03305(18) Uani 1 1 d . . . . .
Rh6 Rh 0.07886(5) 0.35857(4) 0.90697(3) 0.0412(2) Uani 1 1 d . . . . .
Cu1 Cu 0.40906(8) 0.74936(6) 0.86095(4) 0.0427(3) Uani 1 1 d . . . . .
N1 N 0.4582(5) 0.8354(4) 0.8317(3) 0.0382(18) Uani 1 1 d . . . . .
N2 N 0.4479(5) 0.7015(4) 0.8154(3) 0.0344(17) Uani 1 1 d . . . . .
N3 N 0.3358(4) 0.9893(4) 0.8255(2) 0.0328(17) Uani 1 1 d . . . . .
N4 N 0.3228(5) 0.4435(4) 0.7846(3) 0.0402(18) Uani 1 1 d . . . . .
N5 N 0.3559(5) 0.8965(4) 0.6149(3) 0.0409(19) Uani 1 1 d . . . . .
N6 N 0.2871(6) 0.5155(5) 0.5748(3) 0.047(2) Uani 1 1 d . . . . .
N7 N -0.0607(5) 0.7355(4) 0.7997(3) 0.0376(18) Uani 1 1 d . . . . .
N8 N 0.0494(5) 0.4481(4) 0.8838(3) 0.044(2) Uani 1 1 d . . . . .
O1 O 0.4874(4) 0.9645(3) 0.8420(2) 0.0353(14) Uani 1 1 d . . . . .
O2 O 0.4041(4) 0.9398(3) 0.9113(2) 0.0360(14) Uani 1 1 d . . . . .
O3 O 0.3886(4) 0.8221(3) 0.9046(2) 0.0408(15) Uani 1 1 d . . . . .
O4 O 0.4632(4) 0.5910(3) 0.7969(2) 0.0382(15) Uani 1 1 d . . . . .
O5 O 0.4023(4) 0.5485(3) 0.8731(2) 0.0337(14) Uani 1 1 d . . . . .
O6 O 0.3811(4) 0.6531(4) 0.8847(2) 0.0446(16) Uani 1 1 d . . . . .
O7 O 0.3500(4) 0.9950(4) 0.6883(2) 0.0423(16) Uani 1 1 d . . . . .
O8 O 0.2665(4) 0.9870(4) 0.5885(2) 0.0455(16) Uani 1 1 d . . . . .
O9 O 0.0366(4) 0.8706(4) 0.7731(2) 0.0388(15) Uani 1 1 d . . . . .
O10 O -0.0531(4) 0.8698(4) 0.8468(2) 0.0426(16) Uani 1 1 d . . . . .
O11 O 0.2631(4) 0.4073(4) 0.6378(2) 0.0424(16) Uani 1 1 d . . . . .
O12 O 0.1324(4) 0.3813(4) 0.5484(2) 0.0502(18) Uani 1 1 d . . . . .
O13 O 0.1429(4) 0.3767(4) 0.8542(2) 0.0472(17) Uani 1 1 d . . . . .
O14 O -0.0295(4) 0.2897(4) 0.8541(3) 0.0510(18) Uani 1 1 d . . . . .
O15 O 0.7456(6) 0.4678(5) 0.8773(4) 0.088(3) Uani 1 1 d . . . . .
O16 O 0.6316(6) 0.3496(6) 0.8841(4) 0.094(3) Uani 1 1 d . . . . .
O17 O 0.7749(5) 0.3615(5) 0.8995(4) 0.083(3) Uani 1 1 d . . . . .
O18 O 0.9516(9) 0.2361(5) 0.3223(5) 0.129(5) Uani 1 1 d . . . . .
O19 O 0.9591(8) 0.3617(6) 0.3118(4) 0.108(4) Uani 1 1 d . . . . .
O20 O 1.0352(9) 0.3548(13) 0.3907(6) 0.202(8) Uani 1 1 d . U . . .
S1 S 0.71405(19) 0.38710(19) 0.87585(13) 0.0661(8) Uani 1 1 d . . . . .
S2 S 0.9658(3) 0.3113(3) 0.34456(14) 0.0905(12) Uani 1 1 d . . . . .
F1 F 0.7629(5) 0.3800(5) 0.7976(3) 0.098(3) Uani 1 1 d . . . . .
F2 F 0.6646(5) 0.2773(4) 0.8023(3) 0.087(2) Uani 1 1 d . . . . .
F3 F 0.6317(5) 0.3649(5) 0.7846(3) 0.105(3) Uani 1 1 d . . . . .
F4 F 0.8678(8) 0.3468(8) 0.3841(5) 0.155(5) Uani 1 1 d . . . . .
F5 F 0.8059(7) 0.2518(8) 0.3267(4) 0.162(5) Uani 1 1 d . . . . .
F6 F 0.8676(7) 0.2412(6) 0.3943(3) 0.125(3) Uani 1 1 d D . . . .
C1 C 0.4914(5) 0.8235(5) 0.7940(3) 0.0325(19) Uani 1 1 d . . . . .
C2 C 0.4862(6) 0.7503(5) 0.7851(3) 0.037(2) Uani 1 1 d . . . . .
C3 C 0.5160(6) 0.7275(6) 0.7472(3) 0.044(2) Uani 1 1 d . . . . .
H3 H 0.5108 0.6781 0.7400 0.053 Uiso 1 1 calc R U . . .
C4 C 0.5535(6) 0.7825(6) 0.7210(4) 0.043(2) Uani 1 1 d . . . . .
H4 H 0.5744 0.7698 0.6959 0.052 Uiso 1 1 calc R U . . .
C5 C 0.5602(6) 0.8520(6) 0.7309(3) 0.045(2) Uani 1 1 d . . . . .
H5 H 0.5862 0.8873 0.7126 0.054 Uiso 1 1 calc R U . . .
C6 C 0.5300(6) 0.8748(6) 0.7676(3) 0.046(2) Uani 1 1 d . . . . .
H6 H 0.5360 0.9247 0.7739 0.055 Uiso 1 1 calc R U . . .
C7 C 0.4584(5) 0.8984(5) 0.8514(3) 0.0294(19) Uani 1 1 d . . . . .
C8 C 0.4133(5) 0.8842(4) 0.8928(3) 0.0285(18) Uani 1 1 d . . . . .
C9 C 0.4424(6) 0.6361(5) 0.8208(3) 0.036(2) Uani 1 1 d . . . . .
C10 C 0.4072(6) 0.6110(5) 0.8629(4) 0.040(2) Uani 1 1 d . . . . .
C11 C 0.3371(5) 0.9900(4) 0.7778(3) 0.0285(18) Uani 1 1 d . . . . .
H11 H 0.3899 1.0086 0.7705 0.034 Uiso 1 1 calc R U . . .
C12 C 0.2641(5) 0.9644(4) 0.7410(3) 0.0300(19) Uani 1 1 d . . . . .
C13 C 0.1888(6) 0.9377(5) 0.7520(3) 0.037(2) Uani 1 1 d . . . . .
H13 H 0.1381 0.9196 0.7269 0.044 Uiso 1 1 calc R U . . .
C14 C 0.1840(5) 0.9361(5) 0.7995(3) 0.0274(18) Uani 1 1 d . . . . .
C15 C 0.2611(5) 0.9607(4) 0.8350(3) 0.0300(19) Uani 1 1 d . . . . .
H15 H 0.2599 0.9568 0.8672 0.036 Uiso 1 1 calc R U . . .
C16 C 0.2748(5) 0.9699(4) 0.6908(3) 0.0257(17) Uani 1 1 d . . . . .
C17 C 0.2015(6) 0.9499(7) 0.6524(3) 0.053(3) Uani 1 1 d . . . . .
H17 H 0.1486 0.9270 0.6592 0.064 Uiso 1 1 calc R U . . .
C18 C 0.2000(7) 0.9611(6) 0.6042(3) 0.049(3) Uani 1 1 d . . . . .
C19 C 0.1181(7) 0.9495(7) 0.5673(4) 0.067(3) Uani 1 1 d D U . . .
C20 C 0.0400(8) 0.9086(12) 0.5851(5) 0.129(7) Uani 1 1 d D U . . .
H20A H 0.0278 0.9450 0.6033 0.194 Uiso 1 1 calc R U . . .
H20B H 0.0512 0.8748 0.6057 0.194 Uiso 1 1 calc R U . . .
H20C H -0.0086 0.8799 0.5576 0.194 Uiso 1 1 calc R U . . .
C21 C 0.1255(11) 1.0186(10) 0.5489(7) 0.147(9) Uani 1 1 d D U . . .
H21A H 0.1331 1.0569 0.5751 0.221 Uiso 1 1 calc R U . . .
H21B H 0.0742 1.0088 0.5238 0.221 Uiso 1 1 calc R U . . .
H21C H 0.1743 1.0359 0.5357 0.221 Uiso 1 1 calc R U . . .
C22 C 0.1044(12) 0.8865(11) 0.5246(6) 0.150(9) Uani 1 1 d D U . . .
H22A H 0.0480 0.8703 0.5028 0.225 Uiso 1 1 calc R U . . .
H22B H 0.1098 0.8440 0.5378 0.225 Uiso 1 1 calc R U . . .
H22C H 0.1470 0.9065 0.5072 0.225 Uiso 1 1 calc R U . . .
C23 C 0.0986(5) 0.9058(5) 0.8102(3) 0.0304(19) Uani 1 1 d . . . . .
C24 C 0.0980(6) 0.9214(6) 0.8588(3) 0.048(3) Uani 1 1 d . . . . .
H24 H 0.1503 0.9439 0.8828 0.057 Uiso 1 1 calc R U . . .
C25 C 0.0206(6) 0.9040(6) 0.8727(4) 0.042(2) Uani 1 1 d . . . . .
C26 C 0.0273(6) 0.9336(7) 0.9255(4) 0.064(4) Uani 1 1 d D . . . .
C27 C -0.0227(11) 0.8685(8) 0.9474(5) 0.108(6) Uani 1 1 d D U . . .
H27A H -0.0819 0.8460 0.9287 0.161 Uiso 1 1 calc R U . . .
H27B H -0.0187 0.8866 0.9805 0.161 Uiso 1 1 calc R U . . .
H27C H 0.0007 0.8312 0.9469 0.161 Uiso 1 1 calc R U . . .
C28 C 0.1184(9) 0.9658(15) 0.9598(5) 0.189(11) Uani 1 1 d D U . . .
H28A H 0.1552 1.0082 0.9484 0.284 Uiso 1 1 calc R U . . .
H28B H 0.1171 0.9820 0.9921 0.284 Uiso 1 1 calc R U . . .
H28C H 0.1400 0.9272 0.9602 0.284 Uiso 1 1 calc R U . . .
C29 C -0.0173(11) 0.9888(9) 0.9227(5) 0.113(6) Uani 1 1 d D U . . .
H29A H -0.0607 0.9738 0.9400 0.169 Uiso 1 1 calc R U . . .
H29B H -0.0434 0.9874 0.8891 0.169 Uiso 1 1 calc R U . . .
H29C H 0.0247 1.0394 0.9371 0.169 Uiso 1 1 calc R U . . .
C30 C 0.3005(6) 0.4379(5) 0.7354(4) 0.038(2) Uani 1 1 d . . . . .
H30 H 0.3441 0.4569 0.7200 0.046 Uiso 1 1 calc R U . . .
C31 C 0.2183(6) 0.4062(5) 0.7080(3) 0.039(2) Uani 1 1 d . . . . .
C32 C 0.1536(6) 0.3718(5) 0.7310(3) 0.035(2) Uani 1 1 d . . . . .
H32 H 0.0968 0.3449 0.7124 0.042 Uiso 1 1 calc R U . . .
C33 C 0.1740(5) 0.3777(5) 0.7808(3) 0.034(2) Uani 1 1 d . . . . .
C34 C 0.2602(5) 0.4147(4) 0.8054(3) 0.0309(19) Uani 1 1 d . . . . .
H34 H 0.2751 0.4196 0.8393 0.037 Uiso 1 1 calc R U . . .
C35 C 0.2013(6) 0.4025(5) 0.6545(3) 0.042(2) Uani 1 1 d . . . . .
C36 C 0.1222(7) 0.3974(6) 0.6297(3) 0.049(3) Uani 1 1 d . . . . .
H36 H 0.0869 0.4033 0.6483 0.059 Uiso 1 1 calc R U . . .
C37 C 0.0894(7) 0.3841(5) 0.5785(4) 0.047(2) Uani 1 1 d . . . . .
C38 C -0.0009(8) 0.3775(8) 0.5567(4) 0.066(3) Uani 1 1 d D . . . .
C39 C -0.0574(18) 0.365(2) 0.5915(12) 0.132(14) Uani 0.61(3) 1 d . U P A 1
H39A H -0.0399 0.3385 0.6160 0.197 Uiso 0.61(3) 1 calc R U P A 1
H39B H -0.0517 0.4130 0.6070 0.197 Uiso 0.61(3) 1 calc R U P A 1
H39C H -0.1164 0.3350 0.5737 0.197 Uiso 0.61(3) 1 calc R U P A 1
C40 C -0.001(2) 0.416(2) 0.5124(15) 0.166(18) Uani 0.61(3) 1 d . U P A 1
H40A H 0.0084 0.4674 0.5220 0.250 Uiso 0.61(3) 1 calc R U P A 1
H40B H -0.0559 0.3894 0.4886 0.250 Uiso 0.61(3) 1 calc R U P A 1
H40C H 0.0436 0.4141 0.4986 0.250 Uiso 0.61(3) 1 calc R U P A 1
C41 C -0.051(3) 0.2952(13) 0.5320(17) 0.19(2) Uani 0.61(3) 1 d D U P A 1
H41A H -0.1039 0.2743 0.5416 0.284 Uiso 0.61(3) 1 calc R U P A 1
H41B H -0.0177 0.2670 0.5416 0.284 Uiso 0.61(3) 1 calc R U P A 1
H41C H -0.0647 0.2920 0.4972 0.284 Uiso 0.61(3) 1 calc R U P A 1
C39' C -0.020(2) 0.3608(19) 0.5012(7) 0.056(9) Uani 0.39(3) 1 d D U P A 2
H39D H 0.0149 0.4048 0.4902 0.083 Uiso 0.39(3) 1 calc R U P A 2
H39E H -0.0065 0.3190 0.4919 0.083 Uiso 0.39(3) 1 calc R U P A 2
H39F H -0.0795 0.3480 0.4866 0.083 Uiso 0.39(3) 1 calc R U P A 2
C40' C -0.053(2) 0.3113(17) 0.5767(14) 0.074(11) Uani 0.39(3) 1 d D U P A 2
H40D H -0.0502 0.2661 0.5623 0.111 Uiso 0.39(3) 1 calc R U P A 2
H40E H -0.1115 0.3052 0.5692 0.111 Uiso 0.39(3) 1 calc R U P A 2
H40F H -0.0297 0.3201 0.6115 0.111 Uiso 0.39(3) 1 calc R U P A 2
C41' C -0.006(3) 0.4514(19) 0.5725(12) 0.099(15) Uani 0.39(3) 1 d D U P A 2
H41D H -0.0636 0.4411 0.5748 0.149 Uiso 0.39(3) 1 calc R U P A 2
H41E H 0.0069 0.4838 0.5489 0.149 Uiso 0.39(3) 1 calc R U P A 2
H41F H 0.0340 0.4763 0.6037 0.149 Uiso 0.39(3) 1 calc R U P A 2
C42 C 0.1135(6) 0.3500(5) 0.8096(3) 0.0317(19) Uani 1 1 d . . . . .
C43 C 0.0286(6) 0.3004(5) 0.7872(4) 0.044(2) Uani 1 1 d . . . . .
H43 H 0.0143 0.2863 0.7534 0.052 Uiso 1 1 calc R U . . .
C44 C -0.0376(6) 0.2692(5) 0.8089(4) 0.043(2) Uani 1 1 d . . . . .
C45 C -0.119(2) 0.2087(17) 0.7845(10) 0.059(5) Uani 0.57(2) 1 d D U P B 1
C46 C -0.128(3) 0.177(2) 0.7321(12) 0.083(10) Uani 0.57(2) 1 d D U P B 1
H46A H -0.1425 0.2077 0.7105 0.124 Uiso 0.57(2) 1 calc R U P B 1
H46B H -0.1717 0.1258 0.7230 0.124 Uiso 0.57(2) 1 calc R U P B 1
H46C H -0.0738 0.1760 0.7298 0.124 Uiso 0.57(2) 1 calc R U P B 1
C47 C -0.137(2) 0.1473(15) 0.8162(9) 0.131(15) Uani 0.57(2) 1 d D U P B 1
H47A H -0.1060 0.1173 0.8117 0.197 Uiso 0.57(2) 1 calc R U P B 1
H47B H -0.1979 0.1153 0.8070 0.197 Uiso 0.57(2) 1 calc R U P B 1
H47C H -0.1196 0.1708 0.8499 0.197 Uiso 0.57(2) 1 calc R U P B 1
C48 C -0.1797(17) 0.2480(16) 0.7816(13) 0.109(12) Uani 0.57(2) 1 d D U P B 1
H48A H -0.2375 0.2120 0.7656 0.163 Uiso 0.57(2) 1 calc R U P B 1
H48B H -0.1770 0.2683 0.8141 0.163 Uiso 0.57(2) 1 calc R U P B 1
H48C H -0.1630 0.2886 0.7635 0.163 Uiso 0.57(2) 1 calc R U P B 1
C45' C -0.128(3) 0.223(2) 0.7754(12) 0.059(5) Uani 0.43(2) 1 d D . P B 2
C46' C -0.121(4) 0.156(3) 0.7483(17) 0.083(10) Uani 0.43(2) 1 d D . P B 2
H46D H -0.0979 0.1704 0.7212 0.124 Uiso 0.43(2) 1 calc R U P B 2
H46E H -0.1771 0.1147 0.7365 0.124 Uiso 0.43(2) 1 calc R U P B 2
H46F H -0.0836 0.1397 0.7702 0.124 Uiso 0.43(2) 1 calc R U P B 2
C47' C -0.1675(16) 0.2596(17) 0.7376(12) 0.082(11) Uani 0.43(2) 1 d D U P B 2
H47D H -0.1762 0.3000 0.7539 0.123 Uiso 0.43(2) 1 calc R U P B 2
H47E H -0.2218 0.2221 0.7176 0.123 Uiso 0.43(2) 1 calc R U P B 2
H47F H -0.1295 0.2796 0.7175 0.123 Uiso 0.43(2) 1 calc R U P B 2
C48' C -0.1904(15) 0.1950(17) 0.8084(8) 0.063(9) Uani 0.43(2) 1 d D U P B 2
H48D H -0.1907 0.1483 0.8174 0.094 Uiso 0.43(2) 1 calc R U P B 2
H48E H -0.2474 0.1869 0.7906 0.094 Uiso 0.43(2) 1 calc R U P B 2
H48F H -0.1713 0.2326 0.8373 0.094 Uiso 0.43(2) 1 calc R U P B 2
C49 C 0.4794(8) 0.4018(7) 0.8070(4) 0.052(3) Uani 1 1 d . . . . .
C50 C 0.5415(9) 0.4662(9) 0.8015(5) 0.079(4) Uani 1 1 d D U . . .
C51 C 0.5826(7) 0.5135(6) 0.8493(6) 0.071(4) Uani 1 1 d D U . . .
C52 C 0.5413(8) 0.4784(7) 0.8829(4) 0.064(3) Uani 1 1 d . . . . .
C53 C 0.4749(6) 0.4066(6) 0.8568(4) 0.048(3) Uani 1 1 d . . . . .
C54 C 0.4275(10) 0.3400(9) 0.7671(5) 0.091(5) Uani 1 1 d . . . . .
H54A H 0.4427 0.3535 0.7377 0.137 Uiso 1 1 calc R U . . .
H54B H 0.3678 0.3291 0.7631 0.137 Uiso 1 1 calc R U . . .
H54C H 0.4372 0.2959 0.7737 0.137 Uiso 1 1 calc R U . . .
C55 C 0.5674(12) 0.4902(12) 0.7565(8) 0.143(8) Uani 1 1 d . U . . .
H55A H 0.5436 0.4468 0.7308 0.214 Uiso 1 1 calc R U . . .
H55B H 0.6291 0.5122 0.7635 0.214 Uiso 1 1 calc R U . . .
H55C H 0.5462 0.5271 0.7464 0.214 Uiso 1 1 calc R U . . .
C56 C 0.6562(9) 0.5862(10) 0.8586(8) 0.131(7) Uani 1 1 d . U . . .
H56A H 0.6658 0.6128 0.8906 0.197 Uiso 1 1 calc R U . . .
H56B H 0.6450 0.6157 0.8346 0.197 Uiso 1 1 calc R U . . .
H56C H 0.7063 0.5781 0.8567 0.197 Uiso 1 1 calc R U . . .
C57 C 0.5649(11) 0.5079(10) 0.9339(5) 0.113(6) Uani 1 1 d . U . . .
H57A H 0.6232 0.5457 0.9436 0.169 Uiso 1 1 calc R U . . .
H57B H 0.5601 0.4675 0.9521 0.169 Uiso 1 1 calc R U . . .
H57C H 0.5272 0.5304 0.9403 0.169 Uiso 1 1 calc R U . . .
C58 C 0.4202(9) 0.3438(7) 0.8768(5) 0.073(4) Uani 1 1 d . . . . .
H58A H 0.3779 0.3048 0.8504 0.109 Uiso 1 1 calc R U . . .
H58B H 0.3918 0.3623 0.8965 0.109 Uiso 1 1 calc R U . . .
H58C H 0.4553 0.3233 0.8964 0.109 Uiso 1 1 calc R U . . .
C59 C 0.4416(6) 1.1388(5) 0.9061(3) 0.035(2) Uani 1 1 d . . . . .
C60 C 0.4856(6) 1.1168(5) 0.9459(3) 0.042(2) Uani 1 1 d . . . . .
C61 C 0.5630(6) 1.1168(6) 0.9358(3) 0.046(2) Uani 1 1 d . . . . .
C62 C 0.5656(5) 1.1387(4) 0.8917(3) 0.035(2) Uani 1 1 d . . . . .
C63 C 0.4926(5) 1.1535(4) 0.8728(3) 0.0304(19) Uani 1 1 d . . . . .
C64 C 0.3582(7) 1.1465(6) 0.9013(4) 0.054(3) Uani 1 1 d . . . . .
H64A H 0.3689 1.1940 0.9202 0.081 Uiso 1 1 calc R U . . .
H64B H 0.3198 1.1056 0.9131 0.081 Uiso 1 1 calc R U . . .
H64C H 0.3324 1.1447 0.8676 0.081 Uiso 1 1 calc R U . . .
C65 C 0.4524(8) 1.0923(6) 0.9885(4) 0.060(3) Uani 1 1 d . . . . .
H65A H 0.4728 1.1354 1.0140 0.089 Uiso 1 1 calc R U . . .
H65B H 0.4724 1.0555 1.0002 0.089 Uiso 1 1 calc R U . . .
H65C H 0.3906 1.0700 0.9786 0.089 Uiso 1 1 calc R U . . .
C66 C 0.6268(7) 1.0987(7) 0.9708(4) 0.070(4) Uani 1 1 d . . . . .
H66A H 0.6167 1.0467 0.9615 0.105 Uiso 1 1 calc R U . . .
H66B H 0.6206 1.1065 1.0032 0.105 Uiso 1 1 calc R U . . .
H66C H 0.6840 1.1313 0.9702 0.105 Uiso 1 1 calc R U . . .
C67 C 0.6342(6) 1.1412(6) 0.8669(4) 0.055(3) Uani 1 1 d . . . . .
H67A H 0.6852 1.1870 0.8808 0.083 Uiso 1 1 calc R U . . .
H67B H 0.6137 1.1400 0.8326 0.083 Uiso 1 1 calc R U . . .
H67C H 0.6473 1.0981 0.8714 0.083 Uiso 1 1 calc R U . . .
C68 C 0.4730(6) 1.1806(6) 0.8248(4) 0.046(2) Uani 1 1 d . . . . .
H68A H 0.5011 1.2350 0.8300 0.069 Uiso 1 1 calc R U . . .
H68B H 0.4119 1.1646 0.8127 0.069 Uiso 1 1 calc R U . . .
H68C H 0.4935 1.1593 0.8014 0.069 Uiso 1 1 calc R U . . .
C69 C 0.3240(7) 0.8546(6) 0.5692(4) 0.053(3) Uani 1 1 d . . . . .
H69 H 0.3101 0.8772 0.5429 0.064 Uiso 1 1 calc R U . . .
C70 C 0.3119(7) 0.7825(6) 0.5607(4) 0.055(3) Uani 1 1 d . . . . .
H70 H 0.2897 0.7564 0.5286 0.066 Uiso 1 1 calc R U . . .
C71 C 0.3310(6) 0.7442(6) 0.5977(3) 0.043(2) Uani 1 1 d . . . . .
C72 C 0.3635(7) 0.7884(7) 0.6442(4) 0.056(3) Uani 1 1 d . . . . .
H72 H 0.3771 0.7670 0.6712 0.067 Uiso 1 1 calc R U . . .
C73 C 0.3758(7) 0.8632(6) 0.6509(4) 0.050(3) Uani 1 1 d . . . . .
H73 H 0.3994 0.8914 0.6824 0.060 Uiso 1 1 calc R U . . .
C74 C 0.2433(7) 0.5438(6) 0.5442(4) 0.058(3) Uani 1 1 d . . . . .
H74 H 0.2003 0.5105 0.5174 0.070 Uiso 1 1 calc R U . . .
C75 C 0.2564(7) 0.6154(6) 0.5493(4) 0.050(3) Uani 1 1 d . . . . .
H75 H 0.2250 0.6318 0.5256 0.060 Uiso 1 1 calc R U . . .
C76 C 0.3179(6) 0.6675(6) 0.5903(4) 0.046(2) Uani 1 1 d . . . . .
C77 C 0.3665(7) 0.6394(6) 0.6209(4) 0.054(3) Uani 1 1 d . . . . .
H77 H 0.4113 0.6716 0.6475 0.064 Uiso 1 1 calc R U . . .
C78 C 0.3483(8) 0.5628(7) 0.6120(4) 0.060(3) Uani 1 1 d . . . . .
H78 H 0.3809 0.5443 0.6333 0.072 Uiso 1 1 calc R U . . .
C79 C -0.0092(6) 0.7114(5) 0.7808(3) 0.042(2) Uani 1 1 d . . . . .
H79 H 0.0127 0.7329 0.7559 0.050 Uiso 1 1 calc R U . . .
C80 C 0.0100(6) 0.6560(6) 0.7984(4) 0.046(2) Uani 1 1 d . . . . .
H80 H 0.0447 0.6396 0.7843 0.055 Uiso 1 1 calc R U . . .
C81 C -0.0170(5) 0.6226(5) 0.8347(3) 0.037(2) Uani 1 1 d . . . . .
C82 C -0.0709(7) 0.6469(6) 0.8527(4) 0.048(3) Uani 1 1 d . . . . .
H82 H -0.0941 0.6243 0.8770 0.058 Uiso 1 1 calc R U . . .
C83 C -0.0912(6) 0.7037(6) 0.8359(4) 0.045(2) Uani 1 1 d . . . . .
H83 H -0.1262 0.7203 0.8494 0.054 Uiso 1 1 calc R U . . .
C84 C 0.1074(6) 0.5081(6) 0.8729(4) 0.044(2) Uani 1 1 d . . . . .
H84 H 0.1620 0.5104 0.8744 0.053 Uiso 1 1 calc R U . . .
C85 C 0.0871(6) 0.5679(6) 0.8592(4) 0.044(2) Uani 1 1 d . . . . .
H85 H 0.1292 0.6113 0.8538 0.053 Uiso 1 1 calc R U . . .
C86 C 0.0058(6) 0.5626(5) 0.8538(3) 0.040(2) Uani 1 1 d . . . . .
C87 C -0.0513(6) 0.5033(5) 0.8662(3) 0.039(2) Uani 1 1 d . . . . .
H87 H -0.1057 0.5009 0.8655 0.047 Uiso 1 1 calc R U . . .
C88 C -0.0289(6) 0.4448(6) 0.8803(3) 0.046(3) Uani 1 1 d . . . . .
H88 H -0.0699 0.4024 0.8875 0.055 Uiso 1 1 calc R U . . .
C89 C 0.4397(8) 1.1183(6) 0.6013(4) 0.063(3) Uani 1 1 d . . . . .
C90 C 0.4795(8) 1.1287(6) 0.6505(4) 0.070(4) Uani 1 1 d . . . . .
C91 C 0.5216(7) 1.0802(8) 0.6561(4) 0.069(4) Uani 1 1 d D . . . .
C92 C 0.5104(6) 1.0391(6) 0.6103(4) 0.049(3) Uani 1 1 d D . . . .
C93 C 0.4545(7) 1.0619(6) 0.5756(4) 0.049(3) Uani 1 1 d . . . . .
C94 C 0.4793(12) 1.1849(8) 0.6891(6) 0.108(6) Uani 1 1 d . . . . .
H94A H 0.5055 1.1781 0.7206 0.162 Uiso 1 1 calc R U . . .
H94B H 0.4210 1.1773 0.6872 0.162 Uiso 1 1 calc R U . . .
H94C H 0.5111 1.2354 0.6843 0.162 Uiso 1 1 calc R U . . .
C95 C 0.5728(8) 1.0705(10) 0.7045(4) 0.111(6) Uani 1 1 d D U . . .
H95A H 0.6064 1.1193 0.7252 0.167 Uiso 1 1 calc R U . . .
H95B H 0.6103 1.0480 0.6980 0.167 Uiso 1 1 calc R U . . .
H95C H 0.5336 1.0383 0.7206 0.167 Uiso 1 1 calc R U . . .
C96 C 0.5411(9) 0.9787(9) 0.5986(5) 0.092(5) Uani 1 1 d D U . . .
H96A H 0.5999 1.0024 0.5976 0.139 Uiso 1 1 calc R U . . .
H96B H 0.5060 0.9477 0.5675 0.139 Uiso 1 1 calc R U . . .
H96C H 0.5368 0.9477 0.6234 0.139 Uiso 1 1 calc R U . . .
C97 C 0.4253(8) 1.0325(7) 0.5215(4) 0.079(4) Uani 1 1 d . U . . .
H97A H 0.3665 1.0249 0.5091 0.119 Uiso 1 1 calc R U . . .
H97B H 0.4299 0.9851 0.5153 0.119 Uiso 1 1 calc R U . . .
H97C H 0.4608 1.0687 0.5056 0.119 Uiso 1 1 calc R U . . .
C98 C 0.3914(10) 1.1613(7) 0.5771(5) 0.088(5) Uani 1 1 d . . . . .
H98A H 0.3722 1.1836 0.6008 0.132 Uiso 1 1 calc R U . . .
H98B H 0.3426 1.1272 0.5514 0.132 Uiso 1 1 calc R U . . .
H98C H 0.4287 1.2007 0.5638 0.132 Uiso 1 1 calc R U . . .
C99 C 0.2612(9) 0.2907(7) 0.5461(5) 0.070(3) Uani 1 1 d . . . . .
C100 C 0.2335(11) 0.3134(9) 0.5024(5) 0.096(5) Uani 1 1 d . . . . .
C101 C 0.2978(15) 0.3787(12) 0.4992(7) 0.116(6) Uani 1 1 d . U . . .
C102 C 0.3702(10) 0.4055(8) 0.5451(7) 0.102(5) Uani 1 1 d D U . . .
C103 C 0.3450(8) 0.3447(7) 0.5718(5) 0.067(3) Uani 1 1 d D U . . .
C104 C 0.2122(11) 0.2212(9) 0.5648(7) 0.122(6) Uani 1 1 d . U . . .
H10A H 0.1568 0.2196 0.5652 0.183 Uiso 1 1 calc R U . . .
H10B H 0.2437 0.2228 0.5973 0.183 Uiso 1 1 calc R U . . .
H10C H 0.2047 0.1767 0.5438 0.183 Uiso 1 1 calc R U . . .
C105 C 0.1516(15) 0.2862(12) 0.4628(7) 0.158(8) Uani 1 1 d . U . . .
H10D H 0.1441 0.3289 0.4513 0.237 Uiso 1 1 calc R U . . .
H10E H 0.1042 0.2581 0.4753 0.237 Uiso 1 1 calc R U . . .
H10F H 0.1539 0.2539 0.4363 0.237 Uiso 1 1 calc R U . . .
C106 C 0.2953(19) 0.4239(16) 0.4596(8) 0.205(11) Uani 1 1 d . U . . .
H10G H 0.3493 0.4674 0.4663 0.307 Uiso 1 1 calc R U . . .
H10H H 0.2854 0.3932 0.4290 0.307 Uiso 1 1 calc R U . . .
H10I H 0.2497 0.4403 0.4579 0.307 Uiso 1 1 calc R U . . .
C107 C 0.4528(11) 0.4685(10) 0.5557(8) 0.143(8) Uani 1 1 d D U . . .
H10J H 0.4721 0.4893 0.5899 0.215 Uiso 1 1 calc R U . . .
H10K H 0.4481 0.5068 0.5373 0.215 Uiso 1 1 calc R U . . .
H10L H 0.4933 0.4515 0.5469 0.215 Uiso 1 1 calc R U . . .
C108 C 0.3978(10) 0.3476(8) 0.6205(6) 0.099(5) Uani 1 1 d . . . . .
H10M H 0.3616 0.3164 0.6384 0.148 Uiso 1 1 calc R U . . .
H10N H 0.4260 0.3991 0.6378 0.148 Uiso 1 1 calc R U . . .
H10O H 0.4403 0.3293 0.6170 0.148 Uiso 1 1 calc R U . . .
C109 C -0.2240(6) 0.7654(6) 0.7427(4) 0.048(3) Uani 1 1 d . . . . .
C110 C -0.2066(7) 0.8397(7) 0.7593(4) 0.057(3) Uani 1 1 d . . . . .
C111 C -0.1458(9) 0.8880(7) 0.7347(5) 0.070(4) Uani 1 1 d . . . . .
C112 C -0.1363(6) 0.8388(7) 0.7019(4) 0.052(3) Uani 1 1 d . . . . .
C113 C -0.1820(6) 0.7620(6) 0.7057(4) 0.050(3) Uani 1 1 d . . . . .
C114 C -0.2839(8) 0.6994(9) 0.7596(5) 0.087(5) Uani 1 1 d . . . . .
H11A H -0.3008 0.7177 0.7861 0.131 Uiso 1 1 calc R U . . .
H11B H -0.2553 0.6678 0.7704 0.131 Uiso 1 1 calc R U . . .
H11C H -0.3341 0.6704 0.7330 0.131 Uiso 1 1 calc R U . . .
C115 C -0.2294(9) 0.8763(9) 0.7990(5) 0.093(5) Uani 1 1 d . U . . .
H11D H -0.2889 0.8479 0.7974 0.140 Uiso 1 1 calc R U . . .
H11E H -0.2200 0.9273 0.7948 0.140 Uiso 1 1 calc R U . . .
H11F H -0.1940 0.8773 0.8301 0.140 Uiso 1 1 calc R U . . .
C116 C -0.1158(10) 0.9690(8) 0.7410(7) 0.104(5) Uani 1 1 d . U . . .
H11G H -0.0548 0.9916 0.7450 0.155 Uiso 1 1 calc R U . . .
H11H H -0.1282 0.9871 0.7694 0.155 Uiso 1 1 calc R U . . .
H11I H -0.1443 0.9824 0.7128 0.155 Uiso 1 1 calc R U . . .
C117 C -0.0808(9) 0.8605(9) 0.6678(5) 0.083(4) Uani 1 1 d . U . . .
H11J H -0.1152 0.8595 0.6363 0.124 Uiso 1 1 calc R U . . .
H11K H -0.0552 0.8252 0.6648 0.124 Uiso 1 1 calc R U . . .
H11L H -0.0363 0.9107 0.6803 0.124 Uiso 1 1 calc R U . . .
C118 C -0.1882(9) 0.6923(9) 0.6785(4) 0.090(5) Uani 1 1 d . U . . .
H11M H -0.2164 0.6500 0.6932 0.135 Uiso 1 1 calc R U . . .
H11N H -0.1314 0.6964 0.6792 0.135 Uiso 1 1 calc R U . . .
H11O H -0.2207 0.6846 0.6453 0.135 Uiso 1 1 calc R U . . .
C119 C 0.1010(9) 0.2812(7) 0.9496(4) 0.065(3) Uani 1 1 d . U . . .
C120 C 0.1788(8) 0.3498(7) 0.9606(4) 0.057(3) Uani 1 1 d . U . . .
C121 C 0.1601(10) 0.4080(7) 0.9780(4) 0.068(4) Uani 1 1 d . U . . .
C122 C 0.0757(12) 0.3740(10) 0.9788(5) 0.085(5) Uani 1 1 d D . . . .
C123 C 0.0376(9) 0.2987(9) 0.9624(5) 0.073(4) Uani 1 1 d . . . . .
C124 C 0.0937(11) 0.2056(7) 0.9279(5) 0.096(5) Uani 1 1 d . . . . .
H12A H 0.1334 0.2127 0.9082 0.145 Uiso 1 1 calc R U . . .
H12B H 0.0361 0.1760 0.9079 0.145 Uiso 1 1 calc R U . . .
H12C H 0.1071 0.1795 0.9535 0.145 Uiso 1 1 calc R U . . .
C125 C 0.2616(9) 0.3588(9) 0.9493(5) 0.087(4) Uani 1 1 d . . . . .
H12D H 0.2585 0.3098 0.9377 0.130 Uiso 1 1 calc R U . . .
H12E H 0.2709 0.3897 0.9247 0.130 Uiso 1 1 calc R U . . .
H12F H 0.3083 0.3826 0.9784 0.130 Uiso 1 1 calc R U . . .
C126 C 0.2211(11) 0.4880(7) 0.9969(6) 0.111(6) Uani 1 1 d . U . . .
H12G H 0.1908 0.5166 1.0061 0.166 Uiso 1 1 calc R U . . .
H12H H 0.2473 0.5089 0.9720 0.166 Uiso 1 1 calc R U . . .
H12I H 0.2649 0.4907 1.0249 0.166 Uiso 1 1 calc R U . . .
C127 C 0.0297(12) 0.4133(11) 1.0021(5) 0.123(7) Uani 1 1 d D U . . .
H12J H 0.0403 0.4110 1.0363 0.185 Uiso 1 1 calc R U . . .
H12K H -0.0311 0.3883 0.9867 0.185 Uiso 1 1 calc R U . . .
H12L H 0.0507 0.4654 0.9979 0.185 Uiso 1 1 calc R U . . .
C128 C -0.0513(12) 0.2445(11) 0.9567(6) 0.126(7) Uani 1 1 d . . . . .
H12M H -0.0620 0.2413 0.9883 0.189 Uiso 1 1 calc R U . . .
H12N H -0.0598 0.1954 0.9413 0.189 Uiso 1 1 calc R U . . .
H12O H -0.0903 0.2613 0.9369 0.189 Uiso 1 1 calc R U . . .
C129 C 0.6908(7) 0.3496(7) 0.8117(5) 0.063(3) Uani 1 1 d . . . . .
C130 C 0.8744(12) 0.2836(10) 0.3616(6) 0.093(5) Uani 1 1 d D . . . .
S3 S 0.3657(4) 0.2261(6) 0.0865(3) 0.097(3) Uani 0.611(11) 1 d D U P C 1
O21 O 0.4306(15) 0.2059(15) 0.0774(10) 0.125(10) Uani 0.611(11) 1 d D U P C 1
O22 O 0.412(3) 0.3026(14) 0.0810(18) 0.218(16) Uani 0.611(11) 1 d D U P C 1
O23 O 0.3407(11) 0.2289(10) 0.1274(5) 0.086(5) Uani 0.611(11) 1 d D U P C 1
C131 C 0.278(2) 0.1986(18) 0.0395(12) 0.130(9) Uani 0.611(11) 1 d D U P C 1
F7 F 0.219(3) 0.1290(17) 0.0353(15) 0.196(12) Uani 0.611(11) 1 d D U P C 1
F8 F 0.233(2) 0.237(2) 0.0495(15) 0.209(12) Uani 0.611(11) 1 d D U P C 1
F9 F 0.2924(19) 0.1852(19) -0.0023(9) 0.203(11) Uani 0.611(11) 1 d D U P C 1
S3' S 0.3806(6) 0.2478(6) 0.0506(4) 0.077(4) Uani 0.389(11) 1 d D U P C 2
O21' O 0.393(4) 0.1918(18) 0.0739(14) 0.145(17) Uani 0.389(11) 1 d D U P C 2
O22' O 0.4185(16) 0.3228(10) 0.0788(10) 0.070(7) Uani 0.389(11) 1 d D U P C 2
O23' O 0.362(2) 0.2457(17) 0.0004(6) 0.115(11) Uani 0.389(11) 1 d D U P C 2
C231 C 0.275(2) 0.216(2) 0.0622(11) 0.133(10) Uani 0.389(11) 1 d D U P C 2
F7' F 0.219(3) 0.1441(18) 0.0442(16) 0.146(10) Uani 0.389(11) 1 d D U P C 2
F8' F 0.2335(19) 0.2558(18) 0.0399(10) 0.087(7) Uani 0.389(11) 1 d D U P C 2
F9' F 0.270(2) 0.2253(16) 0.1079(9) 0.153(13) Uani 0.389(11) 1 d D U P C 2
S4 S 0.2035(5) 0.1923(5) 0.7916(3) 0.057(3) Uani 0.392(11) 1 d D U P D 1
O24 O 0.210(4) 0.246(3) 0.834(2) 0.121(15) Uani 0.392(11) 1 d . U P D 1
O25 O 0.2681(19) 0.164(2) 0.7924(10) 0.079(9) Uani 0.392(11) 1 d D U P D 1
O26 O 0.1821(17) 0.2128(13) 0.7430(9) 0.060(6) Uani 0.392(11) 1 d . U P D 1
C132 C 0.114(2) 0.1101(16) 0.7939(12) 0.116(10) Uani 0.392(11) 1 d D U P D 1
F10 F 0.158(3) 0.114(2) 0.8400(14) 0.145(12) Uani 0.392(11) 1 d D U P D 1
F11 F 0.060(3) 0.136(3) 0.8070(15) 0.133(12) Uani 0.392(11) 1 d D U P D 1
F12 F 0.0887(14) 0.0614(16) 0.7525(11) 0.119(10) Uani 0.392(11) 1 d D U P D 1
S4' S 0.1872(5) 0.1371(5) 0.7520(4) 0.111(3) Uani 0.608(11) 1 d D U P D 2
O24' O 0.2681(13) 0.1403(11) 0.7715(10) 0.119(9) Uani 0.608(11) 1 d . U P D 2
O25' O 0.1214(13) 0.0646(12) 0.7241(9) 0.133(9) Uani 0.608(11) 1 d D U P D 2
O26' O 0.196(2) 0.1902(15) 0.7203(11) 0.222(17) Uani 0.608(11) 1 d D U P D 2
C232 C 0.153(2) 0.1533(18) 0.8014(11) 0.119(8) Uani 0.608(11) 1 d D U P D 2
F10' F 0.0619(19) 0.1436(18) 0.7843(10) 0.135(8) Uani 0.608(11) 1 d . U P D 2
F11' F 0.1289(14) 0.0814(10) 0.8277(9) 0.119(7) Uani 0.608(11) 1 d . U P D 2
F12' F 0.206(2) 0.2175(17) 0.8346(13) 0.139(11) Uani 0.608(11) 1 d D U P D 2
O33 O 0.2616(5) 0.7048(4) 0.8183(3) 0.0566(19) Uani 1 1 d . . . . .
O34 O 0.2284(6) 0.5803(5) 0.7555(3) 0.078(2) Uani 1 1 d . . . . .
H34A H 0.1756 0.5628 0.7463 0.117 Uiso 1 1 calc R U . . .
O35 O 1.0529(8) 0.5138(8) 0.7184(5) 0.118(4) Uani 1 1 d . . . . .
H35 H 1.0441 0.5514 0.7132 0.177 Uiso 1 1 calc R U . . .
O36 O 0.1254(9) 0.7388(10) 0.9448(6) 0.172(7) Uani 1 1 d D . . . .
H36A H 0.1575 0.7395 0.9708 0.258 Uiso 1 1 calc DR U . . .
O38 O 0.2273(10) 0.6893(9) 0.0097(4) 0.155(6) Uani 1 1 d . . . . .
O37 O 0.3403(16) 0.0360(14) 0.0779(10) 0.263(12) Uani 1 1 d D . . . .
H37 H 0.3457 0.0761 0.0685 0.395 Uiso 1 1 calc DR U . . .
C136 C 0.2619(9) 0.5990(7) 0.7165(5) 0.074(4) Uani 1 1 d . . . . .
H13J H 0.2642 0.6479 0.7109 0.112 Uiso 1 1 calc R U . . .
H13K H 0.2259 0.5616 0.6878 0.112 Uiso 1 1 calc R U . . .
H13L H 0.3189 0.6007 0.7235 0.112 Uiso 1 1 calc R U . . .
C135 C 0.2380(9) 0.7552(10) 0.7917(6) 0.102(6) Uani 1 1 d . . . . .
H13A H 0.2198 0.7844 0.8118 0.153 Uiso 1 1 calc R U . . .
H13B H 0.1917 0.7268 0.7631 0.153 Uiso 1 1 calc R U . . .
H13C H 0.2866 0.7887 0.7821 0.153 Uiso 1 1 calc R U . . .
C137 C 0.9847(10) 0.4623(9) 0.7274(6) 0.093(5) Uani 1 1 d . . . . .
H13D H 1.0023 0.4443 0.7565 0.140 Uiso 1 1 calc R U . . .
H13E H 0.9562 0.4206 0.7004 0.140 Uiso 1 1 calc R U . . .
H13F H 0.9458 0.4846 0.7319 0.140 Uiso 1 1 calc R U . . .
C139 C 0.280(2) 0.0183(19) 0.1062(12) 0.25(2) Uani 1 1 d D . . . .
H13G H 0.3049 0.0072 0.1366 0.379 Uiso 1 1 calc R U . . .
H13H H 0.2289 -0.0251 0.0887 0.379 Uiso 1 1 calc R U . . .
H13I H 0.2666 0.0609 0.1124 0.379 Uiso 1 1 calc R U . . .
C138 C 0.1757(12) 0.7813(13) 0.9150(6) 0.139(8) Uani 1 1 d D U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 O1 2.114(6) . ?
Rh1 O2 2.120(6) . ?
Rh1 N3 2.126(7) . ?
Rh1 C62 2.143(8) . ?
Rh1 C60 2.145(9) . ?
Rh1 C59 2.145(8) . ?
Rh1 C63 2.149(8) . ?
Rh1 C61 2.154(9) . ?
Rh2 O4 2.106(6) . ?
Rh2 N4 2.109(8) . ?
Rh2 C53 2.119(9) . ?
Rh2 C49 2.131(10) . ?
Rh2 C50 2.135(11) . ?
Rh2 C52 2.141(10) . ?
Rh2 O5 2.147(6) . ?
Rh2 C51 2.152(11) . ?
Rh3 O8 2.051(7) . ?
Rh3 O7 2.073(6) . ?
Rh3 C93 2.104(9) . ?
Rh3 N5 2.111(8) . ?
Rh3 C91 2.113(11) . ?
Rh3 C90 2.149(10) . ?
Rh3 C92 2.149(9) . ?
Rh3 C89 2.150(11) . ?
Rh4 O12 2.072(7) . ?
Rh4 O11 2.089(6) . ?
Rh4 C102 2.111(12) . ?
Rh4 C103 2.130(11) . ?
Rh4 C99 2.140(12) . ?
Rh4 N6 2.150(8) . ?
Rh4 C100 2.178(14) . ?
Rh4 C101 2.191(15) . ?
Rh5 O10 2.074(6) . ?
Rh5 O9 2.079(6) . ?
Rh5 C111 2.121(11) . ?
Rh5 C109 2.123(10) . ?
Rh5 N7 2.138(8) . ?
Rh5 C112 2.142(10) . ?
Rh5 C110 2.149(9) . ?
Rh5 C113 2.161(10) . ?
Rh6 O14 2.054(7) . ?
Rh6 O13 2.060(7) . ?
Rh6 C122 2.086(12) . ?
Rh6 C119 2.122(10) . ?
Rh6 C121 2.127(11) . ?
Rh6 N8 2.129(8) . ?
Rh6 C123 2.143(11) . ?
Rh6 C120 2.149(10) . ?
Cu1 N1 1.929(7) . ?
Cu1 N2 1.943(7) . ?
Cu1 O6 1.976(6) . ?
Cu1 O3 2.017(6) . ?
Cu1 O33 2.396(7) . ?
N1 C7 1.317(11) . ?
N1 C1 1.386(11) . ?
N2 C9 1.272(11) . ?
N2 C2 1.423(11) . ?
N3 C15 1.320(10) . ?
N3 C11 1.378(10) . ?
N4 C34 1.329(11) . ?
N4 C30 1.368(12) . ?
N5 C73 1.321(12) . ?
N5 C69 1.372(13) . ?
N6 C78 1.319(14) . ?
N6 C74 1.339(14) . ?
N7 C83 1.360(12) . ?
N7 C79 1.362(12) . ?
N8 C88 1.342(12) . ?
N8 C84 1.342(12) . ?
O1 C7 1.272(10) . ?
O2 C8 1.260(10) . ?
O3 C8 1.227(10) . ?
O4 C9 1.288(10) . ?
O5 C10 1.256(10) . ?
O6 C10 1.277(11) . ?
O7 C16 1.248(9) . ?
O8 C18 1.287(12) . ?
O9 C23 1.270(10) . ?
O10 C25 1.234(11) . ?
O11 C35 1.263(11) . ?
O12 C37 1.283(12) . ?
O13 C42 1.261(10) . ?
O14 C44 1.294(11) . ?
O15 S1 1.455(10) . ?
O16 S1 1.439(9) . ?
O17 S1 1.421(9) . ?
O18 S2 1.466(11) . ?
O19 S2 1.437(10) . ?
O20 S2 1.518(16) . ?
S1 C129 1.831(14) . ?
S2 C130 1.691(18) . ?
F1 C129 1.348(12) . ?
F2 C129 1.293(13) . ?
F3 C129 1.311(13) . ?
F4 C130 1.411(19) . ?
F5 C130 1.286(18) . ?
F6 C130 1.298(13) . ?
C1 C6 1.371(12) . ?
C1 C2 1.402(12) . ?
C2 C3 1.425(13) . ?
C3 C4 1.400(13) . ?
C4 C5 1.324(14) . ?
C5 C6 1.402(14) . ?
C7 C8 1.559(12) . ?
C9 C10 1.513(14) . ?
C11 C12 1.364(11) . ?
C12 C13 1.348(12) . ?
C12 C16 1.506(11) . ?
C13 C14 1.391(11) . ?
C14 C15 1.395(11) . ?
C14 C23 1.505(11) . ?
C16 C17 1.404(12) . ?
C17 C18 1.417(13) . ?
C18 C19 1.521(14) . ?
C19 C21 1.462(14) . ?
C19 C20 1.526(13) . ?
C19 C22 1.581(14) . ?
C23 C24 1.411(12) . ?
C24 C25 1.433(13) . ?
C25 C26 1.549(13) . ?
C26 C27 1.518(14) . ?
C26 C28 1.545(14) . ?
C26 C29 1.561(15) . ?
C30 C31 1.359(13) . ?
C31 C32 1.416(12) . ?
C31 C35 1.493(13) . ?
C32 C33 1.385(12) . ?
C33 C34 1.394(12) . ?
C33 C42 1.462(12) . ?
C35 C36 1.384(13) . ?
C36 C37 1.424(13) . ?
C37 C38 1.532(15) . ?
C38 C40' 1.512(19) . ?
C38 C40 1.53(3) . ?
C38 C41 1.530(19) . ?
C38 C41' 1.532(18) . ?
C38 C39 1.53(3) . ?
C38 C39' 1.541(17) . ?
C42 C43 1.402(13) . ?
C43 C44 1.399(13) . ?
C44 C45 1.44(4) . ?
C44 C45' 1.54(5) . ?
C45 C48 1.540(19) . ?
C45 C46 1.541(18) . ?
C45 C47 1.546(19) . ?
C45' C47' 1.536(19) . ?
C45' C46' 1.542(19) . ?
C45' C48' 1.58(5) . ?
C49 C50 1.363(18) . ?
C49 C54 1.449(18) . ?
C49 C53 1.452(15) . ?
C50 C51 1.458(14) . ?
C50 C55 1.519(19) . ?
C51 C52 1.405(18) . ?
C51 C56 1.467(18) . ?
C52 C57 1.443(18) . ?
C52 C53 1.448(15) . ?
C53 C58 1.487(15) . ?
C59 C63 1.427(12) . ?
C59 C60 1.431(13) . ?
C59 C64 1.517(13) . ?
C60 C61 1.459(14) . ?
C60 C65 1.507(14) . ?
C61 C62 1.378(13) . ?
C61 C66 1.509(14) . ?
C62 C63 1.433(12) . ?
C62 C67 1.525(13) . ?
C63 C68 1.536(13) . ?
C69 C70 1.340(14) . ?
C70 C71 1.407(14) . ?
C71 C72 1.406(14) . ?
C71 C76 1.422(14) . ?
C72 C73 1.389(15) . ?
C74 C75 1.321(14) . ?
C75 C76 1.420(14) . ?
C76 C77 1.389(14) . ?
C77 C78 1.399(15) . ?
C79 C80 1.361(13) . ?
C80 C81 1.354(12) . ?
C81 C82 1.392(12) . ?
C81 C86 1.489(13) . ?
C82 C83 1.386(13) . ?
C84 C85 1.411(13) . ?
C85 C86 1.373(13) . ?
C86 C87 1.347(12) . ?
C87 C88 1.412(13) . ?
C89 C90 1.397(16) . ?
C89 C93 1.423(15) . ?
C89 C98 1.520(18) . ?
C90 C91 1.415(19) . ?
C90 C94 1.506(18) . ?
C91 C92 1.426(17) . ?
C91 C95 1.556(13) . ?
C92 C93 1.467(14) . ?
C92 C96 1.525(13) . ?
C93 C97 1.519(14) . ?
C99 C100 1.42(2) . ?
C99 C103 1.431(18) . ?
C99 C104 1.518(19) . ?
C100 C101 1.37(2) . ?
C100 C105 1.51(2) . ?
C101 C106 1.50(3) . ?
C101 C102 1.52(2) . ?
C102 C103 1.446(15) . ?
C102 C107 1.449(15) . ?
C103 C108 1.490(19) . ?
C109 C110 1.389(15) . ?
C109 C113 1.439(15) . ?
C109 C114 1.514(16) . ?
C110 C111 1.487(17) . ?
C110 C115 1.510(15) . ?
C111 C112 1.382(17) . ?
C111 C116 1.448(17) . ?
C112 C113 1.434(15) . ?
C112 C117 1.507(15) . ?
C113 C118 1.475(16) . ?
C119 C123 1.403(16) . ?
C119 C120 1.454(17) . ?
C119 C124 1.511(16) . ?
C120 C121 1.393(17) . ?
C120 C125 1.514(18) . ?
C121 C122 1.39(2) . ?
C121 C126 1.493(17) . ?
C122 C123 1.36(2) . ?
C122 C127 1.530(14) . ?
C123 C128 1.48(2) . ?
S3 O23 1.352(13) . ?
S3 O21 1.417(18) . ?
S3 O22 1.444(19) . ?
S3 C131 1.69(4) . ?
C131 F9 1.317(19) . ?
C131 F7 1.332(19) . ?
C131 F8 1.350(19) . ?
S3' O21' 1.396(17) . ?
S3' O23' 1.404(15) . ?
S3' O22' 1.445(16) . ?
S3' C231 1.84(3) . ?
C231 F9' 1.343(19) . ?
C231 F7' 1.344(19) . ?
C231 F8' 1.37(2) . ?
S4 O25 1.453(16) . ?
S4 O24 1.50(6) . ?
S4 O26 1.50(2) . ?
S4 C132 1.79(2) . ?
C132 F12 1.339(19) . ?
C132 F11 1.36(2) . ?
C132 F10 1.37(2) . ?
S4' O24' 1.39(2) . ?
S4' O26' 1.423(18) . ?
S4' O25' 1.47(2) . ?
S4' C232 1.72(3) . ?
C232 F12' 1.375(19) . ?
C232 F10' 1.50(4) . ?
C232 F11' 1.61(4) . ?
O33 C135 1.424(14) . ?
O34 C136 1.393(15) . ?
O35 C137 1.333(16) . ?
O36 C138 1.449(15) . ?
O37 C139 1.431(17) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Rh1 O2 79.1(2) . . ?
O1 Rh1 N3 84.5(3) . . ?
O2 Rh1 N3 86.6(3) . . ?
O1 Rh1 C62 98.3(3) . . ?
O2 Rh1 C62 140.7(3) . . ?
N3 Rh1 C62 132.5(3) . . ?
O1 Rh1 C60 146.5(3) . . ?
O2 Rh1 C60 96.3(3) . . ?
N3 Rh1 C60 128.7(3) . . ?
C62 Rh1 C60 64.4(4) . . ?
O1 Rh1 C59 159.5(3) . . ?
O2 Rh1 C59 121.3(3) . . ?
N3 Rh1 C59 97.4(3) . . ?
C62 Rh1 C59 65.4(3) . . ?
C60 Rh1 C59 39.0(3) . . ?
O1 Rh1 C63 120.7(3) . . ?
O2 Rh1 C63 159.5(3) . . ?
N3 Rh1 C63 99.7(3) . . ?
C62 Rh1 C63 39.0(3) . . ?
C60 Rh1 C63 64.5(4) . . ?
C59 Rh1 C63 38.8(3) . . ?
O1 Rh1 C61 109.2(3) . . ?
O2 Rh1 C61 106.0(3) . . ?
N3 Rh1 C61 162.7(4) . . ?
C62 Rh1 C61 37.4(4) . . ?
C60 Rh1 C61 39.7(4) . . ?
C59 Rh1 C61 66.0(4) . . ?
C63 Rh1 C61 64.5(4) . . ?
O4 Rh2 N4 87.9(3) . . ?
O4 Rh2 C53 163.4(3) . . ?
N4 Rh2 C53 105.8(4) . . ?
O4 Rh2 C49 131.1(4) . . ?
N4 Rh2 C49 95.1(4) . . ?
C53 Rh2 C49 40.0(4) . . ?
O4 Rh2 C50 99.7(4) . . ?
N4 Rh2 C50 117.6(5) . . ?
C53 Rh2 C50 65.8(5) . . ?
C49 Rh2 C50 37.3(5) . . ?
O4 Rh2 C52 128.4(4) . . ?
N4 Rh2 C52 143.4(4) . . ?
C53 Rh2 C52 39.7(4) . . ?
C49 Rh2 C52 65.9(4) . . ?
C50 Rh2 C52 66.3(5) . . ?
O4 Rh2 O5 78.9(2) . . ?
N4 Rh2 O5 84.0(3) . . ?
C53 Rh2 O5 111.5(3) . . ?
C49 Rh2 O5 150.0(3) . . ?
C50 Rh2 O5 158.3(5) . . ?
C52 Rh2 O5 97.4(4) . . ?
O4 Rh2 C51 99.0(4) . . ?
N4 Rh2 C51 157.0(4) . . ?
C53 Rh2 C51 64.8(4) . . ?
C49 Rh2 C51 63.9(5) . . ?
C50 Rh2 C51 39.8(4) . . ?
C52 Rh2 C51 38.2(5) . . ?
O5 Rh2 C51 118.7(4) . . ?
O8 Rh3 O7 89.1(2) . . ?
O8 Rh3 C93 100.3(3) . . ?
O7 Rh3 C93 163.5(4) . . ?
O8 Rh3 N5 86.1(3) . . ?
O7 Rh3 N5 84.0(3) . . ?
C93 Rh3 N5 109.9(4) . . ?
O8 Rh3 C91 157.7(4) . . ?
O7 Rh3 C91 100.8(3) . . ?
C93 Rh3 C91 65.9(4) . . ?
N5 Rh3 C91 114.6(5) . . ?
O8 Rh3 C90 120.4(5) . . ?
O7 Rh3 C90 98.3(4) . . ?
C93 Rh3 C90 65.3(4) . . ?
N5 Rh3 C90 153.3(5) . . ?
C91 Rh3 C90 38.8(5) . . ?
O8 Rh3 C92 137.4(3) . . ?
O7 Rh3 C92 133.3(3) . . ?
C93 Rh3 C92 40.3(4) . . ?
N5 Rh3 C92 93.4(4) . . ?
C91 Rh3 C92 39.1(5) . . ?
C90 Rh3 C92 65.7(5) . . ?
O8 Rh3 C89 93.7(4) . . ?
O7 Rh3 C89 127.6(3) . . ?
C93 Rh3 C89 39.1(4) . . ?
N5 Rh3 C89 148.4(4) . . ?
C91 Rh3 C89 64.4(5) . . ?
C90 Rh3 C89 37.9(4) . . ?
C92 Rh3 C89 65.9(4) . . ?
O12 Rh4 O11 89.1(3) . . ?
O12 Rh4 C102 152.9(6) . . ?
O11 Rh4 C102 118.0(6) . . ?
O12 Rh4 C103 145.7(4) . . ?
O11 Rh4 C103 93.4(4) . . ?
C102 Rh4 C103 39.9(4) . . ?
O12 Rh4 C99 107.4(4) . . ?
O11 Rh4 C99 104.5(4) . . ?
C102 Rh4 C99 66.7(5) . . ?
C103 Rh4 C99 39.2(5) . . ?
O12 Rh4 N6 85.4(3) . . ?
O11 Rh4 N6 85.0(3) . . ?
C102 Rh4 N6 97.5(5) . . ?
C103 Rh4 N6 128.9(4) . . ?
C99 Rh4 N6 163.9(4) . . ?
O12 Rh4 C100 91.8(5) . . ?
O11 Rh4 C100 140.5(5) . . ?
C102 Rh4 C100 66.9(6) . . ?
C103 Rh4 C100 65.3(6) . . ?
C99 Rh4 C100 38.3(6) . . ?
N6 Rh4 C100 134.4(5) . . ?
O12 Rh4 C101 111.8(7) . . ?
O11 Rh4 C101 157.7(6) . . ?
C102 Rh4 C101 41.2(7) . . ?
C103 Rh4 C101 65.0(7) . . ?
C99 Rh4 C101 62.9(6) . . ?
N6 Rh4 C101 103.7(6) . . ?
C100 Rh4 C101 36.6(6) . . ?
O10 Rh5 O9 89.1(2) . . ?
O10 Rh5 C111 108.3(4) . . ?
O9 Rh5 C111 104.8(4) . . ?
O10 Rh5 C109 115.6(3) . . ?
O9 Rh5 C109 155.2(3) . . ?
C111 Rh5 C109 66.4(5) . . ?
O10 Rh5 N7 83.7(3) . . ?
O9 Rh5 N7 83.8(3) . . ?
C111 Rh5 N7 165.0(4) . . ?
C109 Rh5 N7 100.6(3) . . ?
O10 Rh5 C112 145.4(4) . . ?
O9 Rh5 C112 93.9(3) . . ?
C111 Rh5 C112 37.8(5) . . ?
C109 Rh5 C112 64.6(4) . . ?
N7 Rh5 C112 131.0(4) . . ?
O10 Rh5 C110 94.4(3) . . ?
O9 Rh5 C110 144.4(4) . . ?
C111 Rh5 C110 40.7(5) . . ?
C109 Rh5 C110 37.9(4) . . ?
N7 Rh5 C110 131.8(4) . . ?
C112 Rh5 C110 64.2(4) . . ?
O10 Rh5 C113 154.8(3) . . ?
O9 Rh5 C113 116.1(3) . . ?
C111 Rh5 C113 66.0(4) . . ?
C109 Rh5 C113 39.2(4) . . ?
N7 Rh5 C113 99.3(4) . . ?
C112 Rh5 C113 38.9(4) . . ?
C110 Rh5 C113 64.9(4) . . ?
O14 Rh6 O13 88.1(3) . . ?
O14 Rh6 C122 120.2(6) . . ?
O13 Rh6 C122 151.7(6) . . ?
O14 Rh6 C119 101.8(4) . . ?
O13 Rh6 C119 113.5(4) . . ?
C122 Rh6 C119 62.6(5) . . ?
O14 Rh6 C121 157.8(5) . . ?
O13 Rh6 C121 113.3(5) . . ?
C122 Rh6 C121 38.4(6) . . ?
C119 Rh6 C121 65.3(5) . . ?
O14 Rh6 N8 85.4(3) . . ?
O13 Rh6 N8 82.5(3) . . ?
C122 Rh6 N8 99.9(4) . . ?
C119 Rh6 N8 162.4(4) . . ?
C121 Rh6 N8 102.5(4) . . ?
O14 Rh6 C123 93.2(5) . . ?
O13 Rh6 C123 151.4(4) . . ?
C122 Rh6 C123 37.4(6) . . ?
C119 Rh6 C123 38.4(4) . . ?
C121 Rh6 C123 65.4(6) . . ?
N8 Rh6 C123 126.1(4) . . ?
O14 Rh6 C120 139.0(4) . . ?
O13 Rh6 C120 95.7(4) . . ?
C122 Rh6 C120 62.8(5) . . ?
C119 Rh6 C120 39.8(5) . . ?
C121 Rh6 C120 38.0(5) . . ?
N8 Rh6 C120 135.6(4) . . ?
C123 Rh6 C120 65.3(5) . . ?
N1 Cu1 N2 82.8(3) . . ?
N1 Cu1 O6 164.3(3) . . ?
N2 Cu1 O6 82.9(3) . . ?
N1 Cu1 O3 83.9(3) . . ?
N2 Cu1 O3 166.1(3) . . ?
O6 Cu1 O3 109.8(3) . . ?
N1 Cu1 O33 100.6(3) . . ?
N2 Cu1 O33 100.0(3) . . ?
O6 Cu1 O33 88.2(3) . . ?
O3 Cu1 O33 86.4(3) . . ?
C7 N1 C1 128.7(8) . . ?
C7 N1 Cu1 115.4(6) . . ?
C1 N1 Cu1 115.8(6) . . ?
C9 N2 C2 131.3(8) . . ?
C9 N2 Cu1 115.7(6) . . ?
C2 N2 Cu1 112.6(5) . . ?
C15 N3 C11 118.3(7) . . ?
C15 N3 Rh1 122.0(6) . . ?
C11 N3 Rh1 119.6(5) . . ?
C34 N4 C30 117.4(8) . . ?
C34 N4 Rh2 119.9(6) . . ?
C30 N4 Rh2 122.7(6) . . ?
C73 N5 C69 117.3(8) . . ?
C73 N5 Rh3 121.1(6) . . ?
C69 N5 Rh3 121.0(6) . . ?
C78 N6 C74 117.4(9) . . ?
C78 N6 Rh4 120.9(7) . . ?
C74 N6 Rh4 121.7(7) . . ?
C83 N7 C79 119.2(8) . . ?
C83 N7 Rh5 120.6(6) . . ?
C79 N7 Rh5 120.2(6) . . ?
C88 N8 C84 119.0(8) . . ?
C88 N8 Rh6 119.2(6) . . ?
C84 N8 Rh6 121.8(6) . . ?
C7 O1 Rh1 112.4(5) . . ?
C8 O2 Rh1 114.8(5) . . ?
C8 O3 Cu1 110.2(5) . . ?
C9 O4 Rh2 112.8(6) . . ?
C10 O5 Rh2 112.5(6) . . ?
C10 O6 Cu1 110.8(6) . . ?
C16 O7 Rh3 126.3(5) . . ?
C18 O8 Rh3 126.9(6) . . ?
C23 O9 Rh5 124.2(5) . . ?
C25 O10 Rh5 127.1(6) . . ?
C35 O11 Rh4 125.0(6) . . ?
C37 O12 Rh4 127.0(6) . . ?
C42 O13 Rh6 127.9(6) . . ?
C44 O14 Rh6 128.4(6) . . ?
O17 S1 O16 113.1(6) . . ?
O17 S1 O15 115.5(6) . . ?
O16 S1 O15 117.3(6) . . ?
O17 S1 C129 104.3(6) . . ?
O16 S1 C129 100.8(6) . . ?
O15 S1 C129 103.1(6) . . ?
O19 S2 O18 116.0(7) . . ?
O19 S2 O20 109.7(10) . . ?
O18 S2 O20 122.6(10) . . ?
O19 S2 C130 104.7(7) . . ?
O18 S2 C130 95.9(9) . . ?
O20 S2 C130 104.4(8) . . ?
C6 C1 N1 127.4(9) . . ?
C6 C1 C2 119.3(9) . . ?
N1 C1 C2 113.2(7) . . ?
C1 C2 N2 115.5(8) . . ?
C1 C2 C3 121.0(8) . . ?
N2 C2 C3 123.5(8) . . ?
C4 C3 C2 116.7(9) . . ?
C5 C4 C3 121.6(9) . . ?
C4 C5 C6 122.3(9) . . ?
C1 C6 C5 119.1(10) . . ?
O1 C7 N1 131.4(8) . . ?
O1 C7 C8 118.4(7) . . ?
N1 C7 C8 110.2(7) . . ?
O3 C8 O2 124.8(8) . . ?
O3 C8 C7 120.2(7) . . ?
O2 C8 C7 115.0(7) . . ?
N2 C9 O4 130.2(9) . . ?
N2 C9 C10 112.1(8) . . ?
O4 C9 C10 117.7(8) . . ?
O5 C10 O6 123.8(9) . . ?
O5 C10 C9 118.0(8) . . ?
O6 C10 C9 118.1(8) . . ?
C12 C11 N3 122.0(8) . . ?
C13 C12 C11 118.4(8) . . ?
C13 C12 C16 125.1(8) . . ?
C11 C12 C16 116.5(7) . . ?
C12 C13 C14 121.9(8) . . ?
C13 C14 C15 116.5(8) . . ?
C13 C14 C23 120.2(8) . . ?
C15 C14 C23 123.2(7) . . ?
N3 C15 C14 122.8(7) . . ?
O7 C16 C17 126.6(8) . . ?
O7 C16 C12 115.1(7) . . ?
C17 C16 C12 118.2(7) . . ?
C16 C17 C18 125.9(9) . . ?
O8 C18 C17 124.5(9) . . ?
O8 C18 C19 113.6(8) . . ?
C17 C18 C19 121.8(9) . . ?
C21 C19 C18 111.0(10) . . ?
C21 C19 C20 117.8(14) . . ?
C18 C19 C20 111.4(9) . . ?
C21 C19 C22 109.7(14) . . ?
C18 C19 C22 105.9(11) . . ?
C20 C19 C22 99.8(12) . . ?
O9 C23 C24 129.5(8) . . ?
O9 C23 C14 113.6(7) . . ?
C24 C23 C14 116.9(8) . . ?
C23 C24 C25 122.2(9) . . ?
O10 C25 C24 127.5(9) . . ?
O10 C25 C26 114.5(8) . . ?
C24 C25 C26 118.0(9) . . ?
C27 C26 C28 103.8(13) . . ?
C27 C26 C25 109.0(10) . . ?
C28 C26 C25 114.4(9) . . ?
C27 C26 C29 107.9(11) . . ?
C28 C26 C29 115.2(14) . . ?
C25 C26 C29 106.3(9) . . ?
C31 C30 N4 122.9(8) . . ?
C30 C31 C32 118.1(8) . . ?
C30 C31 C35 118.5(9) . . ?
C32 C31 C35 123.2(8) . . ?
C33 C32 C31 120.0(8) . . ?
C32 C33 C34 116.5(8) . . ?
C32 C33 C42 126.0(8) . . ?
C34 C33 C42 117.5(8) . . ?
N4 C34 C33 124.7(8) . . ?
O11 C35 C36 127.8(9) . . ?
O11 C35 C31 114.9(8) . . ?
C36 C35 C31 117.2(9) . . ?
C35 C36 C37 126.1(10) . . ?
O12 C37 C36 124.4(10) . . ?
O12 C37 C38 116.1(9) . . ?
C36 C37 C38 119.5(10) . . ?
C40 C38 C41 100(3) . . ?
C40' C38 C41' 115(2) . . ?
C40' C38 C37 100.9(16) . . ?
C40 C38 C37 108.7(17) . . ?
C41 C38 C37 104.4(18) . . ?
C41' C38 C37 109.7(17) . . ?
C40 C38 C39 131(2) . . ?
C41 C38 C39 89(3) . . ?
C37 C38 C39 115.3(14) . . ?
C40' C38 C39' 113(2) . . ?
C41' C38 C39' 110(2) . . ?
C37 C38 C39' 107.9(15) . . ?
O13 C42 C43 124.6(8) . . ?
O13 C42 C33 115.0(8) . . ?
C43 C42 C33 120.4(8) . . ?
C44 C43 C42 128.0(9) . . ?
O14 C44 C43 122.5(9) . . ?
O14 C44 C45 113.3(11) . . ?
C43 C44 C45 124.1(12) . . ?
O14 C44 C45' 118.4(14) . . ?
C43 C44 C45' 117.5(14) . . ?
C44 C45 C48 102(2) . . ?
C44 C45 C46 115(3) . . ?
C48 C45 C46 107(3) . . ?
C44 C45 C47 108(2) . . ?
C48 C45 C47 112(2) . . ?
C46 C45 C47 112(2) . . ?
C47' C45' C44 120(3) . . ?
C47' C45' C46' 108(2) . . ?
C44 C45' C46' 104(3) . . ?
C47' C45' C48' 107(3) . . ?
C44 C45' C48' 108(2) . . ?
C46' C45' C48' 110(3) . . ?
C50 C49 C54 122.2(12) . . ?
C50 C49 C53 110.2(11) . . ?
C54 C49 C53 127.6(12) . . ?
C50 C49 Rh2 71.5(7) . . ?
C54 C49 Rh2 125.3(8) . . ?
C53 C49 Rh2 69.6(5) . . ?
C49 C50 C51 106.8(11) . . ?
C49 C50 C55 130.4(16) . . ?
C51 C50 C55 122.8(16) . . ?
C49 C50 Rh2 71.2(6) . . ?
C51 C50 Rh2 70.7(6) . . ?
C55 C50 Rh2 122.5(9) . . ?
C52 C51 C50 109.6(10) . . ?
C52 C51 C56 127.3(15) . . ?
C50 C51 C56 123.1(16) . . ?
C52 C51 Rh2 70.5(6) . . ?
C50 C51 Rh2 69.5(6) . . ?
C56 C51 Rh2 126.5(9) . . ?
C51 C52 C57 125.5(13) . . ?
C51 C52 C53 106.6(10) . . ?
C57 C52 C53 127.8(14) . . ?
C51 C52 Rh2 71.3(6) . . ?
C57 C52 Rh2 126.7(9) . . ?
C53 C52 Rh2 69.3(5) . . ?
C52 C53 C49 106.6(10) . . ?
C52 C53 C58 128.2(11) . . ?
C49 C53 C58 124.6(11) . . ?
C52 C53 Rh2 71.0(6) . . ?
C49 C53 Rh2 70.5(5) . . ?
C58 C53 Rh2 130.3(7) . . ?
C63 C59 C60 106.6(8) . . ?
C63 C59 C64 127.2(8) . . ?
C60 C59 C64 126.2(8) . . ?
C63 C59 Rh1 70.7(5) . . ?
C60 C59 Rh1 70.5(5) . . ?
C64 C59 Rh1 124.8(7) . . ?
C59 C60 C61 108.3(8) . . ?
C59 C60 C65 124.7(9) . . ?
C61 C60 C65 126.8(9) . . ?
C59 C60 Rh1 70.5(5) . . ?
C61 C60 Rh1 70.5(5) . . ?
C65 C60 Rh1 121.0(7) . . ?
C62 C61 C60 107.3(8) . . ?
C62 C61 C66 129.6(10) . . ?
C60 C61 C66 123.1(9) . . ?
C62 C61 Rh1 70.9(5) . . ?
C60 C61 Rh1 69.8(5) . . ?
C66 C61 Rh1 126.7(8) . . ?
C61 C62 C63 109.6(8) . . ?
C61 C62 C67 123.4(9) . . ?
C63 C62 C67 126.9(9) . . ?
C61 C62 Rh1 71.7(5) . . ?
C63 C62 Rh1 70.7(4) . . ?
C67 C62 Rh1 120.9(6) . . ?
C59 C63 C62 108.3(8) . . ?
C59 C63 C68 126.1(8) . . ?
C62 C63 C68 125.6(8) . . ?
C59 C63 Rh1 70.4(5) . . ?
C62 C63 Rh1 70.3(4) . . ?
C68 C63 Rh1 125.1(6) . . ?
C70 C69 N5 122.1(10) . . ?
C69 C70 C71 122.8(10) . . ?
C72 C71 C70 113.9(10) . . ?
C72 C71 C76 121.6(10) . . ?
C70 C71 C76 124.5(9) . . ?
C73 C72 C71 120.9(10) . . ?
N5 C73 C72 123.0(9) . . ?
C75 C74 N6 124.4(10) . . ?
C74 C75 C76 120.2(10) . . ?
C77 C76 C75 115.7(10) . . ?
C77 C76 C71 122.7(9) . . ?
C75 C76 C71 121.5(9) . . ?
C76 C77 C78 119.4(10) . . ?
N6 C78 C77 122.7(10) . . ?
C80 C79 N7 119.2(8) . . ?
C81 C80 C79 124.8(9) . . ?
C80 C81 C82 115.0(8) . . ?
C80 C81 C86 124.0(8) . . ?
C82 C81 C86 121.0(8) . . ?
C83 C82 C81 121.5(9) . . ?
N7 C83 C82 120.3(9) . . ?
N8 C84 C85 120.6(8) . . ?
C86 C85 C84 119.9(9) . . ?
C87 C86 C85 119.0(9) . . ?
C87 C86 C81 121.7(9) . . ?
C85 C86 C81 119.3(8) . . ?
C86 C87 C88 119.6(9) . . ?
N8 C88 C87 121.7(8) . . ?
C90 C89 C93 109.0(12) . . ?
C90 C89 C98 127.2(12) . . ?
C93 C89 C98 123.7(11) . . ?
C90 C89 Rh3 71.0(6) . . ?
C93 C89 Rh3 68.7(6) . . ?
C98 C89 Rh3 128.5(10) . . ?
C89 C90 C91 107.8(11) . . ?
C89 C90 C94 124.5(15) . . ?
C91 C90 C94 127.6(13) . . ?
C89 C90 Rh3 71.1(6) . . ?
C91 C90 Rh3 69.2(6) . . ?
C94 C90 Rh3 127.2(9) . . ?
C90 C91 C92 110.3(9) . . ?
C90 C91 C95 126.6(14) . . ?
C92 C91 C95 123.1(14) . . ?
C90 C91 Rh3 72.0(6) . . ?
C92 C91 Rh3 71.9(6) . . ?
C95 C91 Rh3 122.5(8) . . ?
C91 C92 C93 104.9(9) . . ?
C91 C92 C96 129.2(11) . . ?
C93 C92 C96 125.7(10) . . ?
C91 C92 Rh3 69.1(6) . . ?
C93 C92 Rh3 68.2(5) . . ?
C96 C92 Rh3 122.5(8) . . ?
C89 C93 C92 107.9(9) . . ?
C89 C93 C97 128.1(11) . . ?
C92 C93 C97 123.8(11) . . ?
C89 C93 Rh3 72.2(6) . . ?
C92 C93 Rh3 71.5(5) . . ?
C97 C93 Rh3 125.4(7) . . ?
C100 C99 C103 109.4(12) . . ?
C100 C99 C104 127.2(15) . . ?
C103 C99 C104 123.3(14) . . ?
C100 C99 Rh4 72.3(8) . . ?
C103 C99 Rh4 70.1(6) . . ?
C104 C99 Rh4 123.3(10) . . ?
C101 C100 C99 108.3(16) . . ?
C101 C100 C105 116.0(19) . . ?
C99 C100 C105 135.5(17) . . ?
C101 C100 Rh4 72.2(9) . . ?
C99 C100 Rh4 69.4(7) . . ?
C105 C100 Rh4 120.4(12) . . ?
C100 C101 C106 127(2) . . ?
C100 C101 C102 110.0(16) . . ?
C106 C101 C102 123(2) . . ?
C100 C101 Rh4 71.2(9) . . ?
C106 C101 Rh4 123.1(14) . . ?
C102 C101 Rh4 66.6(7) . . ?
C103 C102 C107 127.1(17) . . ?
C103 C102 C101 103.3(13) . . ?
C107 C102 C101 128.5(17) . . ?
C103 C102 Rh4 70.8(6) . . ?
C107 C102 Rh4 129.8(11) . . ?
C101 C102 Rh4 72.2(8) . . ?
C99 C103 C102 108.6(13) . . ?
C99 C103 C108 129.0(13) . . ?
C102 C103 C108 121.9(14) . . ?
C99 C103 Rh4 70.8(7) . . ?
C102 C103 Rh4 69.3(7) . . ?
C108 C103 Rh4 120.2(8) . . ?
C110 C109 C113 109.7(10) . . ?
C110 C109 C114 123.4(11) . . ?
C113 C109 C114 126.7(11) . . ?
C110 C109 Rh5 72.0(6) . . ?
C113 C109 Rh5 71.8(6) . . ?
C114 C109 Rh5 126.1(8) . . ?
C109 C110 C111 107.9(9) . . ?
C109 C110 C115 132.6(12) . . ?
C111 C110 C115 119.1(12) . . ?
C109 C110 Rh5 70.0(5) . . ?
C111 C110 Rh5 68.6(6) . . ?
C115 C110 Rh5 120.8(8) . . ?
C112 C111 C116 130.2(14) . . ?
C112 C111 C110 105.3(10) . . ?
C116 C111 C110 124.0(14) . . ?
C112 C111 Rh5 71.9(6) . . ?
C116 C111 Rh5 128.3(10) . . ?
C110 C111 Rh5 70.6(5) . . ?
C111 C112 C113 111.9(10) . . ?
C111 C112 C117 125.7(12) . . ?
C113 C112 C117 122.3(11) . . ?
C111 C112 Rh5 70.3(6) . . ?
C113 C112 Rh5 71.3(6) . . ?
C117 C112 Rh5 122.9(7) . . ?
C112 C113 C109 105.1(10) . . ?
C112 C113 C118 129.8(11) . . ?
C109 C113 C118 125.1(11) . . ?
C112 C113 Rh5 69.8(6) . . ?
C109 C113 Rh5 69.0(6) . . ?
C118 C113 Rh5 125.8(7) . . ?
C123 C119 C120 108.3(12) . . ?
C123 C119 C124 128.0(14) . . ?
C120 C119 C124 123.7(12) . . ?
C123 C119 Rh6 71.6(6) . . ?
C120 C119 Rh6 71.1(6) . . ?
C124 C119 Rh6 122.7(9) . . ?
C121 C120 C119 107.2(11) . . ?
C121 C120 C125 125.7(13) . . ?
C119 C120 C125 126.7(12) . . ?
C121 C120 Rh6 70.2(6) . . ?
C119 C120 Rh6 69.1(6) . . ?
C125 C120 Rh6 120.1(7) . . ?
C122 C121 C120 105.2(11) . . ?
C122 C121 C126 127.6(15) . . ?
C120 C121 C126 126.8(15) . . ?
C122 C121 Rh6 69.2(7) . . ?
C120 C121 Rh6 71.8(6) . . ?
C126 C121 Rh6 128.3(9) . . ?
C123 C122 C121 114.5(11) . . ?
C123 C122 C127 120.5(16) . . ?
C121 C122 C127 124.6(17) . . ?
C123 C122 Rh6 73.6(8) . . ?
C121 C122 Rh6 72.4(7) . . ?
C127 C122 Rh6 129.1(9) . . ?
C122 C123 C119 104.8(13) . . ?
C122 C123 C128 129.8(14) . . ?
C119 C123 C128 125.4(16) . . ?
C122 C123 Rh6 69.0(7) . . ?
C119 C123 Rh6 70.0(6) . . ?
C128 C123 Rh6 123.7(10) . . ?
F2 C129 F3 106.1(11) . . ?
F2 C129 F1 107.3(9) . . ?
F3 C129 F1 108.8(11) . . ?
F2 C129 S1 113.7(9) . . ?
F3 C129 S1 112.2(8) . . ?
F1 C129 S1 108.6(9) . . ?
F5 C130 F6 107.3(15) . . ?
F5 C130 F4 104.7(16) . . ?
F6 C130 F4 102.5(13) . . ?
F5 C130 S2 114.8(12) . . ?
F6 C130 S2 116.5(13) . . ?
F4 C130 S2 109.8(12) . . ?
O23 S3 O21 129.4(15) . . ?
O23 S3 O22 107(2) . . ?
O21 S3 O22 91(2) . . ?
O23 S3 C131 107.1(14) . . ?
O21 S3 C131 115.1(16) . . ?
O22 S3 C131 101(2) . . ?
F9 C131 F7 94(3) . . ?
F9 C131 F8 127(4) . . ?
F7 C131 F8 99(3) . . ?
F9 C131 S3 113(3) . . ?
F7 C131 S3 116(3) . . ?
F8 C131 S3 107(3) . . ?
O21' S3' O23' 125.5(19) . . ?
O21' S3' O22' 116.8(18) . . ?
O23' S3' O22' 113.9(15) . . ?
O21' S3' C231 88(3) . . ?
O23' S3' C231 103.0(17) . . ?
O22' S3' C231 98.6(17) . . ?
F9' C231 F7' 103(2) . . ?
F9' C231 F8' 103(2) . . ?
F7' C231 F8' 103(2) . . ?
F9' C231 S3' 119(3) . . ?
F7' C231 S3' 118(3) . . ?
F8' C231 S3' 108(2) . . ?
O25 S4 O24 121(3) . . ?
O25 S4 O26 107.7(14) . . ?
O24 S4 O26 116(2) . . ?
O25 S4 C132 102(2) . . ?
O24 S4 C132 101(3) . . ?
O26 S4 C132 107.2(17) . . ?
F12 C132 F11 120(3) . . ?
F12 C132 F10 134(4) . . ?
F11 C132 F10 95(3) . . ?
F12 C132 S4 108(2) . . ?
F11 C132 S4 105(3) . . ?
F10 C132 S4 87(2) . . ?
O24' S4' O26' 107(2) . . ?
O24' S4' O25' 117.1(12) . . ?
O26' S4' O25' 107.2(18) . . ?
O24' S4' C232 104.6(18) . . ?
O26' S4' C232 117(2) . . ?
O25' S4' C232 104.9(15) . . ?
F12' C232 F10' 115(3) . . ?
F12' C232 F11' 110(3) . . ?
F10' C232 F11' 94(3) . . ?
F12' C232 S4' 116(3) . . ?
F10' C232 S4' 109(2) . . ?
F11' C232 S4' 110.6(19) . . ?
C135 O33 Cu1 116.3(8) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C7 N1 C1 C6 -2.5(15) . . . . ?
Cu1 N1 C1 C6 -179.6(8) . . . . ?
C7 N1 C1 C2 174.8(8) . . . . ?
Cu1 N1 C1 C2 -2.4(10) . . . . ?
C6 C1 C2 N2 177.8(8) . . . . ?
N1 C1 C2 N2 0.4(11) . . . . ?
C6 C1 C2 C3 -3.6(13) . . . . ?
N1 C1 C2 C3 178.9(8) . . . . ?
C9 N2 C2 C1 -170.6(9) . . . . ?
Cu1 N2 C2 C1 1.7(9) . . . . ?
C9 N2 C2 C3 10.9(15) . . . . ?
Cu1 N2 C2 C3 -176.8(7) . . . . ?
C1 C2 C3 C4 2.6(13) . . . . ?
N2 C2 C3 C4 -179.0(8) . . . . ?
C2 C3 C4 C5 -0.6(14) . . . . ?
C3 C4 C5 C6 -0.5(15) . . . . ?
N1 C1 C6 C5 179.6(9) . . . . ?
C2 C1 C6 C5 2.5(13) . . . . ?
C4 C5 C6 C1 -0.5(15) . . . . ?
Rh1 O1 C7 N1 172.1(8) . . . . ?
Rh1 O1 C7 C8 -7.1(9) . . . . ?
C1 N1 C7 O1 0.7(15) . . . . ?
Cu1 N1 C7 O1 177.9(7) . . . . ?
C1 N1 C7 C8 180.0(8) . . . . ?
Cu1 N1 C7 C8 -2.9(9) . . . . ?
Cu1 O3 C8 O2 175.2(7) . . . . ?
Cu1 O3 C8 C7 -3.6(9) . . . . ?
Rh1 O2 C8 O3 -178.8(7) . . . . ?
Rh1 O2 C8 C7 0.1(9) . . . . ?
O1 C7 C8 O3 -176.1(7) . . . . ?
N1 C7 C8 O3 4.5(11) . . . . ?
O1 C7 C8 O2 5.0(11) . . . . ?
N1 C7 C8 O2 -174.4(7) . . . . ?
C2 N2 C9 O4 -7.4(16) . . . . ?
Cu1 N2 C9 O4 -179.5(7) . . . . ?
C2 N2 C9 C10 171.3(8) . . . . ?
Cu1 N2 C9 C10 -0.8(10) . . . . ?
Rh2 O4 C9 N2 174.3(8) . . . . ?
Rh2 O4 C9 C10 -4.3(9) . . . . ?
Rh2 O5 C10 O6 178.7(7) . . . . ?
Rh2 O5 C10 C9 1.6(10) . . . . ?
Cu1 O6 C10 O5 175.5(7) . . . . ?
Cu1 O6 C10 C9 -7.4(10) . . . . ?
N2 C9 C10 O5 -176.9(8) . . . . ?
O4 C9 C10 O5 1.9(12) . . . . ?
N2 C9 C10 O6 5.8(12) . . . . ?
O4 C9 C10 O6 -175.4(8) . . . . ?
C15 N3 C11 C12 2.1(12) . . . . ?
Rh1 N3 C11 C12 -175.3(6) . . . . ?
N3 C11 C12 C13 -0.1(13) . . . . ?
N3 C11 C12 C16 178.7(7) . . . . ?
C11 C12 C13 C14 0.5(13) . . . . ?
C16 C12 C13 C14 -178.3(8) . . . . ?
C12 C13 C14 C15 -2.7(13) . . . . ?
C12 C13 C14 C23 -180.0(8) . . . . ?
C11 N3 C15 C14 -4.6(12) . . . . ?
Rh1 N3 C15 C14 172.8(6) . . . . ?
C13 C14 C15 N3 4.8(12) . . . . ?
C23 C14 C15 N3 -177.9(8) . . . . ?
Rh3 O7 C16 C17 -1.2(13) . . . . ?
Rh3 O7 C16 C12 -178.2(5) . . . . ?
C13 C12 C16 O7 -178.8(8) . . . . ?
C11 C12 C16 O7 2.5(11) . . . . ?
C13 C12 C16 C17 3.9(13) . . . . ?
C11 C12 C16 C17 -174.9(9) . . . . ?
O7 C16 C17 C18 -6.2(18) . . . . ?
C12 C16 C17 C18 170.8(10) . . . . ?
Rh3 O8 C18 C17 3.6(15) . . . . ?
Rh3 O8 C18 C19 178.5(7) . . . . ?
C16 C17 C18 O8 4.8(19) . . . . ?
C16 C17 C18 C19 -169.7(10) . . . . ?
O8 C18 C19 C21 -54.7(16) . . . . ?
C17 C18 C19 C21 120.4(15) . . . . ?
O8 C18 C19 C20 171.9(12) . . . . ?
C17 C18 C19 C20 -13.0(17) . . . . ?
O8 C18 C19 C22 64.4(13) . . . . ?
C17 C18 C19 C22 -120.6(13) . . . . ?
Rh5 O9 C23 C24 0.4(13) . . . . ?
Rh5 O9 C23 C14 -178.1(5) . . . . ?
C13 C14 C23 O9 12.7(11) . . . . ?
C15 C14 C23 O9 -164.5(8) . . . . ?
C13 C14 C23 C24 -166.0(9) . . . . ?
C15 C14 C23 C24 16.8(12) . . . . ?
O9 C23 C24 C25 -6.5(17) . . . . ?
C14 C23 C24 C25 172.0(9) . . . . ?
Rh5 O10 C25 C24 1.1(15) . . . . ?
Rh5 O10 C25 C26 178.1(7) . . . . ?
C23 C24 C25 O10 5.6(17) . . . . ?
C23 C24 C25 C26 -171.3(10) . . . . ?
O10 C25 C26 C27 55.6(14) . . . . ?
C24 C25 C26 C27 -127.1(12) . . . . ?
O10 C25 C26 C28 171.3(14) . . . . ?
C24 C25 C26 C28 -11.4(18) . . . . ?
O10 C25 C26 C29 -60.4(13) . . . . ?
C24 C25 C26 C29 116.9(11) . . . . ?
C34 N4 C30 C31 1.5(13) . . . . ?
Rh2 N4 C30 C31 -179.2(7) . . . . ?
N4 C30 C31 C32 -5.6(14) . . . . ?
N4 C30 C31 C35 -179.5(8) . . . . ?
C30 C31 C32 C33 6.6(13) . . . . ?
C35 C31 C32 C33 -179.8(9) . . . . ?
C31 C32 C33 C34 -3.6(13) . . . . ?
C31 C32 C33 C42 175.2(8) . . . . ?
C30 N4 C34 C33 1.7(13) . . . . ?
Rh2 N4 C34 C33 -177.5(6) . . . . ?
C32 C33 C34 N4 -0.6(13) . . . . ?
C42 C33 C34 N4 -179.5(8) . . . . ?
Rh4 O11 C35 C36 -6.7(14) . . . . ?
Rh4 O11 C35 C31 176.1(6) . . . . ?
C30 C31 C35 O11 21.3(13) . . . . ?
C32 C31 C35 O11 -152.3(9) . . . . ?
C30 C31 C35 C36 -156.2(9) . . . . ?
C32 C31 C35 C36 30.1(14) . . . . ?
O11 C35 C36 C37 11.1(18) . . . . ?
C31 C35 C36 C37 -171.8(10) . . . . ?
Rh4 O12 C37 C36 -1.7(14) . . . . ?
Rh4 O12 C37 C38 174.2(7) . . . . ?
C35 C36 C37 O12 -6.3(17) . . . . ?
C35 C36 C37 C38 178.0(10) . . . . ?
O12 C37 C38 C40' 124.0(17) . . . . ?
C36 C37 C38 C40' -59.9(19) . . . . ?
O12 C37 C38 C40 -34(2) . . . . ?
C36 C37 C38 C40 142(2) . . . . ?
O12 C37 C38 C41 72(2) . . . . ?
C36 C37 C38 C41 -112(2) . . . . ?
O12 C37 C38 C41' -114(2) . . . . ?
C36 C37 C38 C41' 62(2) . . . . ?
O12 C37 C38 C39 168(2) . . . . ?
C36 C37 C38 C39 -16(2) . . . . ?
O12 C37 C38 C39' 5.7(19) . . . . ?
C36 C37 C38 C39' -178.2(16) . . . . ?
Rh6 O13 C42 C43 -1.0(13) . . . . ?
Rh6 O13 C42 C33 175.9(5) . . . . ?
C32 C33 C42 O13 -163.7(9) . . . . ?
C34 C33 C42 O13 15.1(12) . . . . ?
C32 C33 C42 C43 13.4(14) . . . . ?
C34 C33 C42 C43 -167.8(8) . . . . ?
O13 C42 C43 C44 -2.5(16) . . . . ?
C33 C42 C43 C44 -179.3(9) . . . . ?
Rh6 O14 C44 C43 -8.6(14) . . . . ?
Rh6 O14 C44 C45 168.0(11) . . . . ?
Rh6 O14 C44 C45' -174.0(14) . . . . ?
C42 C43 C44 O14 7.5(17) . . . . ?
C42 C43 C44 C45 -168.7(14) . . . . ?
C42 C43 C44 C45' 173.1(15) . . . . ?
O14 C44 C45 C48 71(2) . . . . ?
C43 C44 C45 C48 -112(2) . . . . ?
O14 C44 C45 C46 -173(2) . . . . ?
C43 C44 C45 C46 3(3) . . . . ?
O14 C44 C45 C47 -47(2) . . . . ?
C43 C44 C45 C47 129.0(19) . . . . ?
O14 C44 C45' C47' 109(2) . . . . ?
C43 C44 C45' C47' -57(3) . . . . ?
O14 C44 C45' C46' -130(2) . . . . ?
C43 C44 C45' C46' 64(3) . . . . ?
O14 C44 C45' C48' -13(2) . . . . ?
C43 C44 C45' C48' -179.5(15) . . . . ?
C54 C49 C50 C51 -177.2(10) . . . . ?
C53 C49 C50 C51 3.2(11) . . . . ?
Rh2 C49 C50 C51 62.2(7) . . . . ?
C54 C49 C50 C55 3.5(18) . . . . ?
C53 C49 C50 C55 -176.1(11) . . . . ?
Rh2 C49 C50 C55 -117.1(13) . . . . ?
C54 C49 C50 Rh2 120.6(10) . . . . ?
C53 C49 C50 Rh2 -59.0(7) . . . . ?
C49 C50 C51 C52 -3.3(12) . . . . ?
C55 C50 C51 C52 176.1(11) . . . . ?
Rh2 C50 C51 C52 59.2(8) . . . . ?
C49 C50 C51 C56 176.6(11) . . . . ?
C55 C50 C51 C56 -4.1(18) . . . . ?
Rh2 C50 C51 C56 -120.9(12) . . . . ?
C49 C50 C51 Rh2 -62.5(7) . . . . ?
C55 C50 C51 Rh2 116.8(11) . . . . ?
C50 C51 C52 C57 179.2(11) . . . . ?
C56 C51 C52 C57 -1(2) . . . . ?
Rh2 C51 C52 C57 -122.2(12) . . . . ?
C50 C51 C52 C53 2.0(12) . . . . ?
C56 C51 C52 C53 -177.8(12) . . . . ?
Rh2 C51 C52 C53 60.6(7) . . . . ?
C50 C51 C52 Rh2 -58.6(8) . . . . ?
C56 C51 C52 Rh2 121.5(13) . . . . ?
C51 C52 C53 C49 -0.1(11) . . . . ?
C57 C52 C53 C49 -177.2(12) . . . . ?
Rh2 C52 C53 C49 61.9(6) . . . . ?
C51 C52 C53 C58 171.3(10) . . . . ?
C57 C52 C53 C58 -5.8(18) . . . . ?
Rh2 C52 C53 C58 -126.8(11) . . . . ?
C51 C52 C53 Rh2 -61.9(7) . . . . ?
C57 C52 C53 Rh2 121.0(13) . . . . ?
C50 C49 C53 C52 -2.0(11) . . . . ?
C54 C49 C53 C52 178.4(10) . . . . ?
Rh2 C49 C53 C52 -62.2(7) . . . . ?
C50 C49 C53 C58 -173.8(9) . . . . ?
C54 C49 C53 C58 6.6(16) . . . . ?
Rh2 C49 C53 C58 126.1(10) . . . . ?
C50 C49 C53 Rh2 60.2(7) . . . . ?
C54 C49 C53 Rh2 -119.4(11) . . . . ?
C63 C59 C60 C61 -1.3(10) . . . . ?
C64 C59 C60 C61 -179.9(9) . . . . ?
Rh1 C59 C60 C61 60.7(7) . . . . ?
C63 C59 C60 C65 -176.8(9) . . . . ?
C64 C59 C60 C65 4.6(16) . . . . ?
Rh1 C59 C60 C65 -114.8(10) . . . . ?
C63 C59 C60 Rh1 -62.0(6) . . . . ?
C64 C59 C60 Rh1 119.4(9) . . . . ?
C59 C60 C61 C62 0.7(11) . . . . ?
C65 C60 C61 C62 176.0(9) . . . . ?
Rh1 C60 C61 C62 61.3(6) . . . . ?
C59 C60 C61 C66 178.0(10) . . . . ?
C65 C60 C61 C66 -6.6(16) . . . . ?
Rh1 C60 C61 C66 -121.3(10) . . . . ?
C59 C60 C61 Rh1 -60.7(7) . . . . ?
C65 C60 C61 Rh1 114.7(10) . . . . ?
C60 C61 C62 C63 0.3(10) . . . . ?
C66 C61 C62 C63 -176.9(10) . . . . ?
Rh1 C61 C62 C63 60.9(6) . . . . ?
C60 C61 C62 C67 -176.1(8) . . . . ?
C66 C61 C62 C67 6.7(16) . . . . ?
Rh1 C61 C62 C67 -115.5(9) . . . . ?
C60 C61 C62 Rh1 -60.7(6) . . . . ?
C66 C61 C62 Rh1 122.2(12) . . . . ?
C60 C59 C63 C62 1.4(10) . . . . ?
C64 C59 C63 C62 -180.0(9) . . . . ?
Rh1 C59 C63 C62 -60.3(6) . . . . ?
C60 C59 C63 C68 -178.5(8) . . . . ?
C64 C59 C63 C68 0.1(15) . . . . ?
Rh1 C59 C63 C68 119.7(9) . . . . ?
C60 C59 C63 Rh1 61.8(6) . . . . ?
C64 C59 C63 Rh1 -119.6(10) . . . . ?
C61 C62 C63 C59 -1.1(10) . . . . ?
C67 C62 C63 C59 175.2(9) . . . . ?
Rh1 C62 C63 C59 60.5(6) . . . . ?
C61 C62 C63 C68 178.9(9) . . . . ?
C67 C62 C63 C68 -4.9(14) . . . . ?
Rh1 C62 C63 C68 -119.6(9) . . . . ?
C61 C62 C63 Rh1 -61.5(6) . . . . ?
C67 C62 C63 Rh1 114.7(9) . . . . ?
C73 N5 C69 C70 0.9(16) . . . . ?
Rh3 N5 C69 C70 171.5(9) . . . . ?
N5 C69 C70 C71 -0.1(18) . . . . ?
C69 C70 C71 C72 0.3(16) . . . . ?
C69 C70 C71 C76 178.9(11) . . . . ?
C70 C71 C72 C73 -1.1(15) . . . . ?
C76 C71 C72 C73 -179.8(10) . . . . ?
C69 N5 C73 C72 -1.9(15) . . . . ?
Rh3 N5 C73 C72 -172.4(8) . . . . ?
C71 C72 C73 N5 2.0(17) . . . . ?
C78 N6 C74 C75 -1.1(17) . . . . ?
Rh4 N6 C74 C75 178.5(9) . . . . ?
N6 C74 C75 C76 -2.9(18) . . . . ?
C74 C75 C76 C77 5.7(16) . . . . ?
C74 C75 C76 C71 -177.4(11) . . . . ?
C72 C71 C76 C77 -29.1(16) . . . . ?
C70 C71 C76 C77 152.3(11) . . . . ?
C72 C71 C76 C75 154.2(10) . . . . ?
C70 C71 C76 C75 -24.4(16) . . . . ?
C75 C76 C77 C78 -4.8(16) . . . . ?
C71 C76 C77 C78 178.4(10) . . . . ?
C74 N6 C78 C77 2.0(16) . . . . ?
Rh4 N6 C78 C77 -177.7(8) . . . . ?
C76 C77 C78 N6 1.1(17) . . . . ?
C83 N7 C79 C80 0.3(14) . . . . ?
Rh5 N7 C79 C80 178.9(7) . . . . ?
N7 C79 C80 C81 -1.3(16) . . . . ?
C79 C80 C81 C82 2.6(16) . . . . ?
C79 C80 C81 C86 -179.2(10) . . . . ?
C80 C81 C82 C83 -2.9(16) . . . . ?
C86 C81 C82 C83 178.7(10) . . . . ?
C79 N7 C83 C82 -0.8(15) . . . . ?
Rh5 N7 C83 C82 -179.4(8) . . . . ?
C81 C82 C83 N7 2.2(17) . . . . ?
C88 N8 C84 C85 1.6(15) . . . . ?
Rh6 N8 C84 C85 -177.8(7) . . . . ?
N8 C84 C85 C86 -4.4(15) . . . . ?
C84 C85 C86 C87 6.4(15) . . . . ?
C84 C85 C86 C81 -173.9(9) . . . . ?
C80 C81 C86 C87 -140.4(11) . . . . ?
C82 C81 C86 C87 37.7(14) . . . . ?
C80 C81 C86 C85 39.8(14) . . . . ?
C82 C81 C86 C85 -142.0(11) . . . . ?
C85 C86 C87 C88 -5.6(15) . . . . ?
C81 C86 C87 C88 174.7(9) . . . . ?
C84 N8 C88 C87 -0.9(15) . . . . ?
Rh6 N8 C88 C87 178.5(7) . . . . ?
C86 C87 C88 N8 2.9(15) . . . . ?
C93 C89 C90 C91 1.3(13) . . . . ?
C98 C89 C90 C91 -175.8(12) . . . . ?
Rh3 C89 C90 C91 59.7(7) . . . . ?
C93 C89 C90 C94 178.9(11) . . . . ?
C98 C89 C90 C94 2(2) . . . . ?
Rh3 C89 C90 C94 -122.7(13) . . . . ?
C93 C89 C90 Rh3 -58.4(8) . . . . ?
C98 C89 C90 Rh3 124.4(13) . . . . ?
C89 C90 C91 C92 1.1(13) . . . . ?
C94 C90 C91 C92 -176.3(11) . . . . ?
Rh3 C90 C91 C92 62.0(8) . . . . ?
C89 C90 C91 C95 -178.4(10) . . . . ?
C94 C90 C91 C95 4(2) . . . . ?
Rh3 C90 C91 C95 -117.5(11) . . . . ?
C89 C90 C91 Rh3 -60.9(8) . . . . ?
C94 C90 C91 Rh3 121.7(13) . . . . ?
C90 C91 C92 C93 -3.0(12) . . . . ?
C95 C91 C92 C93 176.5(10) . . . . ?
Rh3 C91 C92 C93 59.1(6) . . . . ?
C90 C91 C92 C96 -177.6(11) . . . . ?
C95 C91 C92 C96 2.0(18) . . . . ?
Rh3 C91 C92 C96 -115.5(12) . . . . ?
C90 C91 C92 Rh3 -62.1(8) . . . . ?
C95 C91 C92 Rh3 117.4(10) . . . . ?
C90 C89 C93 C92 -3.2(12) . . . . ?
C98 C89 C93 C92 174.1(11) . . . . ?
Rh3 C89 C93 C92 -63.0(7) . . . . ?
C90 C89 C93 C97 -178.8(10) . . . . ?
C98 C89 C93 C97 -1.5(18) . . . . ?
Rh3 C89 C93 C97 121.4(11) . . . . ?
C90 C89 C93 Rh3 59.8(8) . . . . ?
C98 C89 C93 Rh3 -122.9(12) . . . . ?
C91 C92 C93 C89 3.8(11) . . . . ?
C96 C92 C93 C89 178.6(10) . . . . ?
Rh3 C92 C93 C89 63.5(7) . . . . ?
C91 C92 C93 C97 179.6(9) . . . . ?
C96 C92 C93 C97 -5.6(16) . . . . ?
Rh3 C92 C93 C97 -120.7(10) . . . . ?
C91 C92 C93 Rh3 -59.7(7) . . . . ?
C96 C92 C93 Rh3 115.1(11) . . . . ?
C103 C99 C100 C101 1.6(17) . . . . ?
C104 C99 C100 C101 -179.1(15) . . . . ?
Rh4 C99 C100 C101 62.1(11) . . . . ?
C103 C99 C100 C105 -173.4(17) . . . . ?
C104 C99 C100 C105 6(3) . . . . ?
Rh4 C99 C100 C105 -113(2) . . . . ?
C103 C99 C100 Rh4 -60.5(8) . . . . ?
C104 C99 C100 Rh4 118.8(15) . . . . ?
C99 C100 C101 C106 -178.1(17) . . . . ?
C105 C100 C101 C106 -2(3) . . . . ?
Rh4 C100 C101 C106 -117.8(19) . . . . ?
C99 C100 C101 C102 -5.1(18) . . . . ?
C105 C100 C101 C102 171.0(13) . . . . ?
Rh4 C100 C101 C102 55.2(10) . . . . ?
C99 C100 C101 Rh4 -60.3(10) . . . . ?
C105 C100 C101 Rh4 115.8(15) . . . . ?
C100 C101 C102 C103 6.6(16) . . . . ?
C106 C101 C102 C103 179.9(16) . . . . ?
Rh4 C101 C102 C103 64.5(7) . . . . ?
C100 C101 C102 C107 174.9(16) . . . . ?
C106 C101 C102 C107 -12(3) . . . . ?
Rh4 C101 C102 C107 -127.2(17) . . . . ?
C100 C101 C102 Rh4 -57.9(12) . . . . ?
C106 C101 C102 Rh4 115.4(18) . . . . ?
C100 C99 C103 C102 2.7(14) . . . . ?
C104 C99 C103 C102 -176.6(12) . . . . ?
Rh4 C99 C103 C102 -59.2(8) . . . . ?
C100 C99 C103 C108 175.7(12) . . . . ?
C104 C99 C103 C108 -4(2) . . . . ?
Rh4 C99 C103 C108 113.8(12) . . . . ?
C100 C99 C103 Rh4 61.9(10) . . . . ?
C104 C99 C103 Rh4 -117.4(13) . . . . ?
C107 C102 C103 C99 -174.0(14) . . . . ?
C101 C102 C103 C99 -5.4(13) . . . . ?
Rh4 C102 C103 C99 60.1(8) . . . . ?
C107 C102 C103 C108 12(2) . . . . ?
C101 C102 C103 C108 -179.0(11) . . . . ?
Rh4 C102 C103 C108 -113.5(11) . . . . ?
C107 C102 C103 Rh4 125.9(15) . . . . ?
C101 C102 C103 Rh4 -65.5(9) . . . . ?
C113 C109 C110 C111 -4.0(11) . . . . ?
C114 C109 C110 C111 -179.8(10) . . . . ?
Rh5 C109 C110 C111 58.3(7) . . . . ?
C113 C109 C110 C115 -176.2(11) . . . . ?
C114 C109 C110 C115 8.0(18) . . . . ?
Rh5 C109 C110 C115 -113.9(12) . . . . ?
C113 C109 C110 Rh5 -62.3(7) . . . . ?
C114 C109 C110 Rh5 121.9(10) . . . . ?
C109 C110 C111 C112 4.9(12) . . . . ?
C115 C110 C111 C112 178.3(10) . . . . ?
Rh5 C110 C111 C112 64.1(8) . . . . ?
C109 C110 C111 C116 177.0(12) . . . . ?
C115 C110 C111 C116 -9.5(17) . . . . ?
Rh5 C110 C111 C116 -123.8(13) . . . . ?
C109 C110 C111 Rh5 -59.2(7) . . . . ?
C115 C110 C111 Rh5 114.2(10) . . . . ?
C116 C111 C112 C113 -175.5(13) . . . . ?
C110 C111 C112 C113 -4.0(12) . . . . ?
Rh5 C111 C112 C113 59.2(8) . . . . ?
C116 C111 C112 C117 8(2) . . . . ?
C110 C111 C112 C117 179.9(10) . . . . ?
Rh5 C111 C112 C117 -116.9(10) . . . . ?
C116 C111 C112 Rh5 125.3(15) . . . . ?
C110 C111 C112 Rh5 -63.2(7) . . . . ?
C111 C112 C113 C109 1.7(11) . . . . ?
C117 C112 C113 C109 178.0(9) . . . . ?
Rh5 C112 C113 C109 60.3(6) . . . . ?
C111 C112 C113 C118 -179.0(11) . . . . ?
C117 C112 C113 C118 -2.7(17) . . . . ?
Rh5 C112 C113 C118 -120.4(11) . . . . ?
C111 C112 C113 Rh5 -58.7(8) . . . . ?
C117 C112 C113 Rh5 117.6(10) . . . . ?
C110 C109 C113 C112 1.6(11) . . . . ?
C114 C109 C113 C112 177.2(10) . . . . ?
Rh5 C109 C113 C112 -60.9(6) . . . . ?
C110 C109 C113 C118 -177.8(10) . . . . ?
C114 C109 C113 C118 -2.2(16) . . . . ?
Rh5 C109 C113 C118 119.8(10) . . . . ?
C110 C109 C113 Rh5 62.5(7) . . . . ?
C114 C109 C113 Rh5 -121.9(11) . . . . ?
C123 C119 C120 C121 -2.2(12) . . . . ?
C124 C119 C120 C121 177.4(11) . . . . ?
Rh6 C119 C120 C121 60.1(7) . . . . ?
C123 C119 C120 C125 -175.0(10) . . . . ?
C124 C119 C120 C125 4.6(17) . . . . ?
Rh6 C119 C120 C125 -112.7(10) . . . . ?
C123 C119 C120 Rh6 -62.3(8) . . . . ?
C124 C119 C120 Rh6 117.3(11) . . . . ?
C119 C120 C121 C122 2.1(12) . . . . ?
C125 C120 C121 C122 174.9(10) . . . . ?
Rh6 C120 C121 C122 61.5(8) . . . . ?
C119 C120 C121 C126 175.9(12) . . . . ?
C125 C120 C121 C126 -11.2(18) . . . . ?
Rh6 C120 C121 C126 -124.7(13) . . . . ?
C119 C120 C121 Rh6 -59.4(7) . . . . ?
C125 C120 C121 Rh6 113.4(10) . . . . ?
C120 C121 C122 C123 -1.3(15) . . . . ?
C126 C121 C122 C123 -175.1(12) . . . . ?
Rh6 C121 C122 C123 62.0(10) . . . . ?
C120 C121 C122 C127 170.8(11) . . . . ?
C126 C121 C122 C127 -3(2) . . . . ?
Rh6 C121 C122 C127 -125.9(13) . . . . ?
C120 C121 C122 Rh6 -63.3(7) . . . . ?
C126 C121 C122 Rh6 122.9(13) . . . . ?
C121 C122 C123 C119 -0.1(15) . . . . ?
C127 C122 C123 C119 -172.5(11) . . . . ?
Rh6 C122 C123 C119 61.3(8) . . . . ?
C121 C122 C123 C128 -178.3(13) . . . . ?
C127 C122 C123 C128 9(2) . . . . ?
Rh6 C122 C123 C128 -117.0(15) . . . . ?
C121 C122 C123 Rh6 -61.3(10) . . . . ?
C127 C122 C123 Rh6 126.2(12) . . . . ?
C120 C119 C123 C122 1.4(13) . . . . ?
C124 C119 C123 C122 -178.2(12) . . . . ?
Rh6 C119 C123 C122 -60.6(9) . . . . ?
C120 C119 C123 C128 179.7(12) . . . . ?
C124 C119 C123 C128 0(2) . . . . ?
Rh6 C119 C123 C128 117.7(13) . . . . ?
C120 C119 C123 Rh6 62.0(7) . . . . ?
C124 C119 C123 Rh6 -117.6(13) . . . . ?
O17 S1 C129 F2 56.3(9) . . . . ?
O16 S1 C129 F2 -61.1(9) . . . . ?
O15 S1 C129 F2 177.4(8) . . . . ?
O17 S1 C129 F3 176.7(8) . . . . ?
O16 S1 C129 F3 59.3(10) . . . . ?
O15 S1 C129 F3 -62.3(9) . . . . ?
O17 S1 C129 F1 -63.0(9) . . . . ?
O16 S1 C129 F1 179.6(8) . . . . ?
O15 S1 C129 F1 58.1(9) . . . . ?
O19 S2 C130 F5 58.0(15) . . . . ?
O18 S2 C130 F5 -60.8(15) . . . . ?
O20 S2 C130 F5 173.3(15) . . . . ?
O19 S2 C130 F6 -175.4(13) . . . . ?
O18 S2 C130 F6 65.8(15) . . . . ?
O20 S2 C130 F6 -60.1(17) . . . . ?
O19 S2 C130 F4 -59.5(12) . . . . ?
O18 S2 C130 F4 -178.3(11) . . . . ?
O20 S2 C130 F4 55.8(14) . . . . ?
O23 S3 C131 F9 -172(3) . . . . ?
O21 S3 C131 F9 -21(3) . . . . ?
O22 S3 C131 F9 75(4) . . . . ?
O23 S3 C131 F7 -66(3) . . . . ?
O21 S3 C131 F7 85(3) . . . . ?
O22 S3 C131 F7 -178(3) . . . . ?
O23 S3 C131 F8 44(3) . . . . ?
O21 S3 C131 F8 -165(3) . . . . ?
O22 S3 C131 F8 -68(3) . . . . ?
O21' S3' C231 F9' 68(3) . . . . ?
O23' S3' C231 F9' -166(2) . . . . ?
O22' S3' C231 F9' -49(3) . . . . ?
O21' S3' C231 F7' -59(3) . . . . ?
O23' S3' C231 F7' 67(3) . . . . ?
O22' S3' C231 F7' -176(3) . . . . ?
O21' S3' C231 F8' -175(3) . . . . ?
O23' S3' C231 F8' -49(3) . . . . ?
O22' S3' C231 F8' 68(2) . . . . ?
O25 S4 C132 F12 -67(3) . . . . ?
O24 S4 C132 F12 167(3) . . . . ?
O26 S4 C132 F12 46(3) . . . . ?
O25 S4 C132 F11 163(3) . . . . ?
O24 S4 C132 F11 38(4) . . . . ?
O26 S4 C132 F11 -84(3) . . . . ?
O25 S4 C132 F10 68(3) . . . . ?
O24 S4 C132 F10 -57(3) . . . . ?
O26 S4 C132 F10 -179(2) . . . . ?
O24' S4' C232 F12' 54(3) . . . . ?
O26' S4' C232 F12' -64(3) . . . . ?
O25' S4' C232 F12' 178(3) . . . . ?
O24' S4' C232 F10' -175(2) . . . . ?
O26' S4' C232 F10' 68(3) . . . . ?
O25' S4' C232 F10' -51(3) . . . . ?
O24' S4' C232 F11' -73(2) . . . . ?
O26' S4' C232 F11' 169(2) . . . . ?
O25' S4' C232 F11' 51(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
O37 H37 O21' 0.83 2.07 2.85(4) 155.8 .
O37 H37 O21 0.83 2.36 3.09(4) 147.2 .
O36 H36A O38 0.83 2.06 2.798(18) 148.0 1_556
O35 H35 O19 0.83 1.92 2.724(16) 163.9 2_766
O34 H34A O35 0.83 1.94 2.769(16) 172.9 1_455

_refine_diff_density_max         1.377
_refine_diff_density_min         -1.512
_refine_diff_density_rms         0.226

####################################################################### 
# 
# 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_2c
_database_code_depnum_ccdc_archive 'CCDC 1571143'
_audit_update_record             
;
2018-01-07 deposited with the CCDC.
2018-01-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C172 H230 Cu6 F12 N10 O58 Rh4 S4'
_chemical_formula_weight         4514.77

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'
Cu Cu -1.9646 0.5888 '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                   16.7310(4)
_cell_length_b                   17.1520(4)
_cell_length_c                   22.1104(5)
_cell_angle_alpha                96.2437(14)
_cell_angle_beta                 111.7468(13)
_cell_angle_gamma                109.0984(13)
_cell_volume                     5374.5(2)
_cell_formula_units_Z            1
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9797
_cell_measurement_theta_min      2.23
_cell_measurement_theta_max      68.01

_exptl_crystal_description       block
_exptl_crystal_colour            green
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.395
_exptl_crystal_F_000             2322
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.140
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    4.146
_shelx_estimated_absorpt_T_min   0.594
_shelx_estimated_absorpt_T_max   0.682
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.321
_exptl_absorpt_correction_T_max  0.422
_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            53654
_diffrn_reflns_av_unetI/netI     0.0590
_diffrn_reflns_av_R_equivalents  0.0502
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         2.229
_diffrn_reflns_theta_max         67.495
_diffrn_reflns_theta_full        67.495
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measured_fraction_theta_full 0.964
_diffrn_reflns_Laue_measured_fraction_max 0.964
_diffrn_reflns_Laue_measured_fraction_full 0.964
_diffrn_reflns_point_group_measured_fraction_max 0.964
_diffrn_reflns_point_group_measured_fraction_full 0.964
_reflns_number_total             18675
_reflns_number_gt                13340
_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 bridging ligand and one coordinated methanol molecule 
 were disordered and they were divided into two parts (65:35 
 for ligand and methanol). 21 ISOR, 1 DELU and 7 DFIX 
 instructions were used to restrain ligands and Cp* 
 fragments so that there were 134 restraints in the data. 
 Hydrogen of hydroxy group in methanol molecules could not 
 be found and others were put in calculated positions. 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1458P)²+11.3933P] 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         18675
_refine_ls_number_parameters     1151
_refine_ls_number_restraints     134
_refine_ls_R_factor_all          0.1032
_refine_ls_R_factor_gt           0.0813
_refine_ls_wR_factor_ref         0.2557
_refine_ls_wR_factor_gt          0.2409
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_restrained_S_all      1.051
_refine_ls_shift/su_max          0.010
_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 -0.132 -0.026 0.369 1243 252 ' '
2 0.500 0.500 0.500 429 82 ' '
3 0.134 0.511 0.576 11 -1 ' '
4 0.866 0.489 0.424 11 -1 ' '
_platon_squeeze_void_probe_radius 1.20
_platon_squeeze_details          
;
 In asymmetric unit of this data, there were disordered
 anion and solvents (one triflate anion, one diethyl ether,
 two methanol and two 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 0.33496(4) 0.66698(4) 0.10909(2) 0.05226(18) Uani 1 1 d . . . . .
Rh2 Rh 0.04532(4) 0.04922(3) 0.16726(2) 0.05330(18) Uani 1 1 d . . . . .
Cu2 Cu 0.42931(7) 0.78452(7) 0.51143(5) 0.0497(3) Uani 1 1 d . . . . .
Cu3 Cu 0.78380(10) 0.66355(11) 0.44604(5) 0.0789(5) Uani 1 1 d . . . . .
N3 N 0.4116(4) 0.6763(4) 0.2128(3) 0.0489(13) Uani 1 1 d . . . . .
N4 N 0.8482(4) 0.8652(4) 0.7390(3) 0.0491(14) Uani 1 1 d . . . . .
O7 O 0.3067(3) 0.7783(4) 0.4573(2) 0.0574(13) Uani 1 1 d . . . . .
O8 O 0.4515(3) 0.7576(3) 0.4346(2) 0.0502(11) Uani 1 1 d . . . . .
O9 O 0.6676(4) 0.6714(5) 0.3930(3) 0.080(2) Uani 1 1 d . . . . .
O10 O 0.7791(5) 0.5952(5) 0.3686(3) 0.083(2) Uani 1 1 d . . . . .
O11 O 0.4145(4) 0.8226(4) 0.5905(3) 0.0634(14) Uani 1 1 d . . . . .
O12 O 0.5556(3) 0.7983(4) 0.5641(2) 0.0554(13) Uani 1 1 d . . . . .
O13 O 0.7725(4) 0.7122(5) 0.5234(3) 0.080(2) Uani 1 1 d . . . . .
O14 O 0.8921(4) 0.6448(5) 0.5019(3) 0.0780(19) Uani 1 1 d . . . . .
O15 O 0.0793(7) 0.3016(5) -0.0179(4) 0.117(3) Uani 1 1 d . . . . .
O16 O 0.1025(10) 0.4424(6) -0.0352(4) 0.166(6) Uani 1 1 d . . . . .
O17 O -0.0381(8) 0.3158(8) -0.1162(4) 0.147(4) Uani 1 1 d . . . . .
S1 S 0.0641(3) 0.3515(2) -0.06502(14) 0.1165(12) Uani 1 1 d . . . . .
F1 F 0.0987(8) 0.2552(7) -0.1339(5) 0.171(4) Uani 1 1 d . . . . .
F2 F 0.1239(9) 0.3758(7) -0.1537(5) 0.162(4) Uani 1 1 d . . . . .
F3 F 0.2198(7) 0.3677(10) -0.0634(6) 0.201(6) Uani 1 1 d . . . . .
Cu1 Cu 0.1794(2) 0.33592(12) 0.09704(9) 0.0554(6) Uani 0.655(5) 1 d . U P A 1
N1 N 0.1599(8) 0.4369(7) 0.1198(5) 0.050(3) Uani 0.655(5) 1 d . U P A 1
N2 N 0.0854(9) 0.2870(8) 0.1287(5) 0.052(3) Uani 0.655(5) 1 d . U P A 1
O3 O 0.2901(6) 0.4146(6) 0.0884(4) 0.054(2) Uani 0.655(5) 1 d . U P A 1
O6 O 0.1933(6) 0.2240(5) 0.0976(4) 0.0552(19) Uani 0.655(5) 1 d . U P A 1
C1 C 0.0881(8) 0.4267(9) 0.1398(5) 0.053(3) Uani 0.655(5) 1 d . . P A 1
C2 C 0.0477(8) 0.3434(7) 0.1464(5) 0.047(2) Uani 0.655(5) 1 d . . P A 1
C3 C -0.0223(9) 0.3234(9) 0.1680(6) 0.059(3) Uani 0.655(5) 1 d . . P A 1
H3 H -0.0507 0.2675 0.1718 0.071 Uiso 0.655(5) 1 calc R U P A 1
C4 C -0.0505(9) 0.3891(9) 0.1844(5) 0.059(3) Uani 0.655(5) 1 d . . P A 1
H4 H -0.0961 0.3775 0.2016 0.070 Uiso 0.655(5) 1 calc R U P A 1
C5 C -0.0147(9) 0.4667(8) 0.1762(6) 0.059(3) Uani 0.655(5) 1 d . . P A 1
H5 H -0.0382 0.5080 0.1849 0.071 Uiso 0.655(5) 1 calc R U P A 1
C6 C 0.0567(8) 0.4884(8) 0.1550(5) 0.052(3) Uani 0.655(5) 1 d . . P A 1
H6 H 0.0833 0.5446 0.1509 0.062 Uiso 0.655(5) 1 calc R U P A 1
Cu1' Cu 0.1386(3) 0.3481(3) 0.1025(2) 0.0596(12) Uani 0.345(5) 1 d D U P A 2
N1' N 0.2568(12) 0.4048(13) 0.1010(12) 0.054(2) Uani 0.345(5) 1 d D . P A 2
N2' N 0.1846(12) 0.2575(11) 0.1094(10) 0.0552(19) Uani 0.345(5) 1 d D . P A 2
O3' O 0.1331(16) 0.4618(13) 0.1152(10) 0.064(5) Uani 0.345(5) 1 d . U P A 2
O6' O 0.0372(15) 0.2721(14) 0.1203(11) 0.061(5) Uani 0.345(5) 1 d . U P A 2
C1' C 0.3112(16) 0.3586(11) 0.0997(11) 0.061(6) Uani 0.345(5) 1 d D . P A 2
C2' C 0.2696(12) 0.2740(12) 0.1048(9) 0.058(6) Uani 0.345(5) 1 d D . P A 2
C3' C 0.3149(19) 0.2230(15) 0.1050(11) 0.068(7) Uani 0.345(5) 1 d . . P A 2
H3' H 0.2892 0.1675 0.1106 0.082 Uiso 0.345(5) 1 calc R U P A 2
C4' C 0.4016(17) 0.2478(15) 0.0970(11) 0.059(6) Uani 0.345(5) 1 d . . P A 2
H4' H 0.4343 0.2114 0.0986 0.071 Uiso 0.345(5) 1 calc R U P A 2
C5' C 0.4324(16) 0.3272(14) 0.0871(14) 0.065(6) Uani 0.345(5) 1 d D . P A 2
H5' H 0.4831 0.3428 0.0748 0.078 Uiso 0.345(5) 1 calc R U P A 2
C6' C 0.3946(17) 0.3862(15) 0.0937(12) 0.065(6) Uani 0.345(5) 1 d D . P A 2
H6' H 0.4248 0.4439 0.0940 0.078 Uiso 0.345(5) 1 calc R U P A 2
O1 O 0.2193(4) 0.5846(3) 0.1217(2) 0.0566(12) Uani 1 1 d . . . . .
O2 O 0.3482(4) 0.5482(4) 0.0928(2) 0.0567(13) Uani 1 1 d . . . . .
O4 O 0.0106(4) 0.1567(4) 0.1508(3) 0.0598(13) Uani 1 1 d . . . . .
O5 O 0.1379(4) 0.1118(3) 0.1264(2) 0.0576(13) Uani 1 1 d . . . . .
C7 C 0.2122(7) 0.5077(6) 0.1132(3) 0.065(2) Uani 1 1 d . . . . .
C8 C 0.2855(6) 0.4871(5) 0.0969(3) 0.0552(19) Uani 1 1 d . . . . .
C9 C 0.0640(6) 0.2084(5) 0.1332(3) 0.0556(18) Uani 1 1 d . . . . .
C10 C 0.1372(5) 0.1817(5) 0.1190(3) 0.0569(19) Uani 1 1 d . . . . .
C11 C 0.3779(5) 0.6981(5) 0.2560(3) 0.0470(15) Uani 1 1 d . . . . .
H11 H 0.3229 0.7095 0.2396 0.056 Uiso 1 1 calc R U . . .
C12 C 0.4231(5) 0.7039(4) 0.3246(3) 0.0440(14) Uani 1 1 d . . . . .
C13 C 0.5028(5) 0.6865(5) 0.3471(3) 0.0514(17) Uani 1 1 d . . . . .
H13 H 0.5355 0.6912 0.3937 0.062 Uiso 1 1 calc R U . . .
C14 C 0.5349(5) 0.6625(5) 0.3024(3) 0.0497(16) Uani 1 1 d . . . . .
C15 C 0.4871(5) 0.6592(5) 0.2341(3) 0.0480(16) Uani 1 1 d . . . . .
H15 H 0.5096 0.6444 0.2028 0.058 Uiso 1 1 calc R U . . .
C16 C 0.3878(5) 0.7297(4) 0.3736(3) 0.0451(15) Uani 1 1 d . . . . .
C17 C 0.2955(5) 0.7208(5) 0.3518(3) 0.0481(16) Uani 1 1 d . . . . .
H17 H 0.2542 0.6961 0.3053 0.058 Uiso 1 1 calc R U . . .
C18 C 0.2610(5) 0.7463(5) 0.3945(4) 0.0509(16) Uani 1 1 d . . . . .
C19 C 0.1558(5) 0.7343(6) 0.3671(4) 0.0598(19) Uani 1 1 d . . . . .
C20 C 0.1147(10) 0.7265(16) 0.2942(7) 0.173(8) Uani 1 1 d . U . . .
H20A H 0.0468 0.7097 0.2772 0.260 Uiso 1 1 calc R U . . .
H20B H 0.1270 0.6829 0.2709 0.260 Uiso 1 1 calc R U . . .
H20C H 0.1427 0.7815 0.2857 0.260 Uiso 1 1 calc R U . . .
C21 C 0.1109(9) 0.6702(13) 0.3955(11) 0.175(9) Uani 1 1 d . U . . .
H21A H 0.1521 0.6816 0.4434 0.262 Uiso 1 1 calc R U . . .
H21B H 0.0990 0.6132 0.3714 0.262 Uiso 1 1 calc R U . . .
H21C H 0.0513 0.6729 0.3909 0.262 Uiso 1 1 calc R U . . .
C22 C 0.1516(9) 0.8136(10) 0.3962(10) 0.153(7) Uani 1 1 d . U . . .
H22A H 0.0868 0.8091 0.3760 0.230 Uiso 1 1 calc R U . . .
H22B H 0.1917 0.8622 0.3869 0.230 Uiso 1 1 calc R U . . .
H22C H 0.1736 0.8223 0.4451 0.230 Uiso 1 1 calc R U . . .
C23 C 0.6221(5) 0.6428(5) 0.3294(3) 0.0556(18) Uani 1 1 d . . . . .
C24 C 0.6442(5) 0.5979(5) 0.2873(3) 0.0531(17) Uani 1 1 d . . . . .
H24 H 0.6043 0.5814 0.2404 0.064 Uiso 1 1 calc R U . . .
C25 C 0.7200(6) 0.5748(6) 0.3079(4) 0.063(2) Uani 1 1 d . . . . .
C26 C 0.7371(7) 0.5190(7) 0.2603(5) 0.074(3) Uani 1 1 d . . . . .
C27 C 0.6786(11) 0.5111(13) 0.1877(6) 0.159(8) Uani 1 1 d . U . . .
H27A H 0.6919 0.5681 0.1798 0.238 Uiso 1 1 calc R U . . .
H27B H 0.6120 0.4833 0.1773 0.238 Uiso 1 1 calc R U . . .
H27C H 0.6937 0.4767 0.1587 0.238 Uiso 1 1 calc R U . . .
C28 C 0.8379(9) 0.5498(12) 0.2762(7) 0.133(6) Uani 1 1 d . U . . .
H28A H 0.8744 0.5587 0.3246 0.200 Uiso 1 1 calc R U . . .
H28B H 0.8574 0.6039 0.2641 0.200 Uiso 1 1 calc R U . . .
H28C H 0.8488 0.5073 0.2505 0.200 Uiso 1 1 calc R U . . .
C29 C 0.7214(18) 0.4349(12) 0.2755(10) 0.183(9) Uani 1 1 d . U . . .
H29A H 0.6785 0.3894 0.2338 0.275 Uiso 1 1 calc R U . . .
H29B H 0.6938 0.4308 0.3078 0.275 Uiso 1 1 calc R U . . .
H29C H 0.7813 0.4289 0.2950 0.275 Uiso 1 1 calc R U . . .
C30 C 0.7614(5) 0.8610(5) 0.7179(3) 0.0523(17) Uani 1 1 d . . . . .
H30 H 0.7461 0.8910 0.7478 0.063 Uiso 1 1 calc R U . . .
C31 C 0.6920(5) 0.8143(4) 0.6538(3) 0.0490(16) Uani 1 1 d . . . . .
C32 C 0.7163(5) 0.7738(5) 0.6109(3) 0.0516(17) Uani 1 1 d . . . . .
H32 H 0.6714 0.7446 0.5658 0.062 Uiso 1 1 calc R U . . .
C33 C 0.8058(5) 0.7751(5) 0.6328(3) 0.0546(18) Uani 1 1 d . . . . .
C34 C 0.8707(5) 0.8218(5) 0.6979(3) 0.0531(17) Uani 1 1 d . . . . .
H34 H 0.9324 0.8233 0.7139 0.064 Uiso 1 1 calc R U . . .
C35 C 0.5962(5) 0.8150(4) 0.6279(3) 0.0479(15) Uani 1 1 d . . . . .
C36 C 0.5588(5) 0.8331(5) 0.6710(3) 0.0546(18) Uani 1 1 d . . . . .
H36 H 0.5957 0.8439 0.7180 0.066 Uiso 1 1 calc R U . . .
C37 C 0.4703(5) 0.8366(5) 0.6507(3) 0.0558(18) Uani 1 1 d . . . . .
C38 C 0.4363(6) 0.8558(6) 0.7038(4) 0.064(2) Uani 1 1 d . . . . .
C39 C 0.5151(13) 0.9269(12) 0.7649(9) 0.172(9) Uani 1 1 d . U . . .
H39A H 0.5353 0.9795 0.7511 0.257 Uiso 1 1 calc R U . . .
H39B H 0.5681 0.9102 0.7840 0.257 Uiso 1 1 calc R U . . .
H39C H 0.4926 0.9365 0.7990 0.257 Uiso 1 1 calc R U . . .
C40 C 0.3636(16) 0.8895(16) 0.6767(9) 0.191(9) Uani 1 1 d . U . . .
H40A H 0.3048 0.8428 0.6443 0.286 Uiso 1 1 calc R U . . .
H40B H 0.3838 0.9329 0.6540 0.286 Uiso 1 1 calc R U . . .
H40C H 0.3538 0.9154 0.7137 0.286 Uiso 1 1 calc R U . . .
C41 C 0.4047(17) 0.7800(12) 0.7264(11) 0.183(9) Uani 1 1 d . U . . .
H41A H 0.3537 0.7796 0.7383 0.275 Uiso 1 1 calc R U . . .
H41B H 0.4569 0.7803 0.7660 0.275 Uiso 1 1 calc R U . . .
H41C H 0.3820 0.7289 0.6901 0.275 Uiso 1 1 calc R U . . .
C42 C 0.8318(5) 0.7314(5) 0.5844(3) 0.0550(18) Uani 1 1 d . . . . .
C43 C 0.9096(6) 0.7123(5) 0.6068(4) 0.0592(19) Uani 1 1 d . . . . .
H43 H 0.9481 0.7295 0.6540 0.071 Uiso 1 1 calc R U . . .
C44 C 0.9361(6) 0.6699(5) 0.5657(4) 0.0584(19) Uani 1 1 d . . . . .
C45 C 1.0200(6) 0.6450(6) 0.5950(4) 0.067(2) Uani 1 1 d . . . . .
C46 C 1.0671(11) 0.6526(13) 0.5508(7) 0.137(6) Uani 1 1 d . . . . .
H46A H 1.1189 0.6341 0.5682 0.205 Uiso 1 1 calc R U . . .
H46B H 1.0916 0.7123 0.5493 0.205 Uiso 1 1 calc R U . . .
H46C H 1.0223 0.6165 0.5053 0.205 Uiso 1 1 calc R U . . .
C47 C 1.0903(7) 0.7008(9) 0.6661(6) 0.097(4) Uani 1 1 d . . . . .
H47A H 1.1453 0.6863 0.6810 0.146 Uiso 1 1 calc R U . . .
H47B H 1.0609 0.6906 0.6971 0.146 Uiso 1 1 calc R U . . .
H47C H 1.1098 0.7611 0.6658 0.146 Uiso 1 1 calc R U . . .
C48 C 0.9798(11) 0.5560(10) 0.5992(11) 0.155(8) Uani 1 1 d . . . . .
H48A H 0.9117 0.5315 0.5721 0.232 Uiso 1 1 calc R U . . .
H48B H 0.9939 0.5558 0.6463 0.232 Uiso 1 1 calc R U . . .
H48C H 1.0074 0.5218 0.5820 0.232 Uiso 1 1 calc R U . . .
C49 C 0.3139(10) 0.7804(6) 0.0986(5) 0.088(3) Uani 1 1 d . . . . .
C50 C 0.4079(11) 0.7957(7) 0.1113(6) 0.098(4) Uani 1 1 d . . . . .
C51 C 0.4075(10) 0.7401(8) 0.0586(7) 0.097(3) Uani 1 1 d . . . . .
C52 C 0.3108(9) 0.6882(8) 0.0116(4) 0.085(3) Uani 1 1 d . . . . .
C53 C 0.2513(9) 0.7128(7) 0.0346(5) 0.084(3) Uani 1 1 d . . . . .
C54 C 0.2824(12) 0.8272(9) 0.1404(6) 0.124(5) Uani 1 1 d . . . . .
H54A H 0.3345 0.8574 0.1851 0.186 Uiso 1 1 calc R U . . .
H54B H 0.2297 0.7862 0.1451 0.186 Uiso 1 1 calc R U . . .
H54C H 0.2626 0.8684 0.1182 0.186 Uiso 1 1 calc R U . . .
C55 C 0.4912(13) 0.8606(9) 0.1718(9) 0.152(7) Uani 1 1 d . . . . .
H55A H 0.4939 0.9181 0.1693 0.228 Uiso 1 1 calc R U . . .
H55B H 0.5486 0.8565 0.1726 0.228 Uiso 1 1 calc R U . . .
H55C H 0.4856 0.8497 0.2129 0.228 Uiso 1 1 calc R U . . .
C56 C 0.4922(11) 0.7361(13) 0.0526(8) 0.139(6) Uani 1 1 d . U . . .
H56A H 0.5341 0.7301 0.0949 0.209 Uiso 1 1 calc R U . . .
H56B H 0.5251 0.7888 0.0433 0.209 Uiso 1 1 calc R U . . .
H56C H 0.4729 0.6869 0.0156 0.209 Uiso 1 1 calc R U . . .
C57 C 0.2799(11) 0.6173(10) -0.0493(5) 0.115(5) Uani 1 1 d . U . . .
H57A H 0.2591 0.6367 -0.0903 0.173 Uiso 1 1 calc R U . . .
H57B H 0.2281 0.5674 -0.0516 0.173 Uiso 1 1 calc R U . . .
H57C H 0.3326 0.6017 -0.0456 0.173 Uiso 1 1 calc R U . . .
C58 C 0.1465(9) 0.6765(10) 0.0046(6) 0.116(5) Uani 1 1 d . U . . .
H58A H 0.1211 0.6306 -0.0364 0.174 Uiso 1 1 calc R U . . .
H58B H 0.1243 0.7215 -0.0069 0.174 Uiso 1 1 calc R U . . .
H58C H 0.1254 0.6535 0.0372 0.174 Uiso 1 1 calc R U . . .
C59 C 0.0462(8) -0.0721(5) 0.1741(4) 0.079(3) Uani 1 1 d . . . . .
C60 C -0.0030(6) -0.0515(6) 0.2087(5) 0.073(2) Uani 1 1 d . . . . .
C61 C -0.0797(7) -0.0402(7) 0.1616(6) 0.094(4) Uani 1 1 d . . . . .
C62 C -0.0808(8) -0.0566(6) 0.0971(5) 0.090(4) Uani 1 1 d . . . . .
C63 C -0.0032(9) -0.0758(5) 0.1041(4) 0.091(4) Uani 1 1 d . . . . .
C64 C 0.1288(9) -0.0932(7) 0.2035(5) 0.095(4) Uani 1 1 d . . . . .
H64A H 0.1103 -0.1548 0.1875 0.142 Uiso 1 1 calc R U . . .
H64B H 0.1543 -0.0769 0.2529 0.142 Uiso 1 1 calc R U . . .
H64C H 0.1768 -0.0619 0.1897 0.142 Uiso 1 1 calc R U . . .
C65 C 0.0202(8) -0.0475(8) 0.2832(5) 0.096(3) Uani 1 1 d . . . . .
H65A H -0.0060 -0.0111 0.2996 0.144 Uiso 1 1 calc R U . . .
H65B H 0.0884 -0.0236 0.3098 0.144 Uiso 1 1 calc R U . . .
H65C H -0.0070 -0.1052 0.2879 0.144 Uiso 1 1 calc R U . . .
C66 C -0.1501(9) -0.0160(13) 0.1770(8) 0.143(7) Uani 1 1 d . . . . .
H66A H -0.1295 -0.0011 0.2259 0.215 Uiso 1 1 calc R U . . .
H66B H -0.2113 -0.0644 0.1554 0.215 Uiso 1 1 calc R U . . .
H66C H -0.1554 0.0332 0.1597 0.215 Uiso 1 1 calc R U . . .
C67 C -0.1518(8) -0.0537(8) 0.0321(6) 0.115(5) Uani 1 1 d . . . . .
H67A H -0.2074 -0.1077 0.0133 0.173 Uiso 1 1 calc R U . . .
H67B H -0.1244 -0.0452 -0.0001 0.173 Uiso 1 1 calc R U . . .
H67C H -0.1699 -0.0063 0.0409 0.173 Uiso 1 1 calc R U . . .
C68 C 0.0266(10) -0.0948(7) 0.0514(5) 0.106(4) Uani 1 1 d . . . . .
H68A H 0.0932 -0.0588 0.0670 0.160 Uiso 1 1 calc R U . . .
H68B H -0.0105 -0.0831 0.0102 0.160 Uiso 1 1 calc R U . . .
H68C H 0.0171 -0.1552 0.0421 0.160 Uiso 1 1 calc R U . . .
C69 C 0.1238(11) 0.3332(9) -0.1039(9) 0.118(5) Uani 1 1 d . . . . .
C72 C 0.5345(5) 0.9872(4) 0.4973(4) 0.0525(17) Uani 1 1 d . . . . .
C73 C 0.6112(6) 0.9952(5) 0.5565(4) 0.062(2) Uani 1 1 d . . . . .
C77 C 0.6825(6) 0.9638(6) 0.5505(6) 0.076(3) Uani 1 1 d . . . . .
C74 C 0.6199(6) 1.0284(5) 0.6191(4) 0.070(2) Uani 1 1 d . . . . .
H74 H 0.6711 1.0321 0.6587 0.084 Uiso 1 1 calc R U . . .
C71 C 0.5260(6) 0.9515(5) 0.4335(4) 0.0600(19) Uani 1 1 d . . . . .
C76 C 0.5954(7) 0.9214(6) 0.4289(5) 0.073(2) Uani 1 1 d . . . . .
C75 C 0.5510(7) 1.0571(6) 0.6239(4) 0.070(2) Uani 1 1 d . . . . .
H75 H 0.5581 1.0825 0.6670 0.084 Uiso 1 1 calc R U . . .
C88 C 0.7347(10) 0.8907(10) 0.4772(9) 0.127(5) Uani 1 1 d . . . . .
H88A H 0.7804 0.8923 0.5211 0.190 Uiso 1 1 calc R U . . .
H88B H 0.7677 0.9238 0.4539 0.190 Uiso 1 1 calc R U . . .
H88C H 0.6982 0.8314 0.4499 0.190 Uiso 1 1 calc R U . . .
C78 C 0.3031(14) 0.5971(14) 0.5333(12) 0.125(9) Uani 0.65(2) 1 d . . P . .
H78A H 0.2399 0.5800 0.4973 0.188 Uiso 0.65(2) 1 calc R U P . .
H78B H 0.3121 0.6382 0.5721 0.188 Uiso 0.65(2) 1 calc R U P . .
H78C H 0.3110 0.5466 0.5469 0.188 Uiso 0.65(2) 1 calc R U P . .
C78' C 0.422(2) 0.5816(18) 0.5111(19) 0.100(12) Uani 0.35(2) 1 d . U P . .
H78D H 0.4864 0.6112 0.5466 0.151 Uiso 0.35(2) 1 calc R U P . .
H78E H 0.4237 0.5679 0.4675 0.151 Uiso 0.35(2) 1 calc R U P . .
H78F H 0.3905 0.5288 0.5208 0.151 Uiso 0.35(2) 1 calc R U P . .
N5 N 0.6695(6) 0.9289(5) 0.4874(5) 0.079(2) Uani 1 1 d . . . . .
O23 O 0.3718(7) 0.6362(6) 0.5089(6) 0.125(3) Uani 1 1 d . U . . .
O22 O 0.7498(5) 0.9686(5) 0.6019(5) 0.104(3) Uani 1 1 d . . . . .
O21 O 0.5893(7) 0.8900(5) 0.3733(5) 0.106(3) Uani 1 1 d . . . . .
O24 O 0.8692(8) 0.7924(8) 0.4362(6) 0.138(4) Uani 1 1 d D . . . .
C79 C 0.9311(18) 0.7968(19) 0.4091(15) 0.247(14) Uani 1 1 d D U . . .
H79A H 0.9950 0.8206 0.4453 0.370 Uiso 1 1 calc R U . . .
H79B H 0.9258 0.8337 0.3782 0.370 Uiso 1 1 calc R U . . .
H79C H 0.9169 0.7394 0.3843 0.370 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 C49 2.109(8) . ?
Rh1 O1 2.126(6) . ?
Rh1 O2 2.127(5) . ?
Rh1 C50 2.129(12) . ?
Rh1 N3 2.130(5) . ?
Rh1 C52 2.137(8) . ?
Rh1 C53 2.141(8) . ?
Rh1 C51 2.145(11) . ?
Rh2 C61 2.099(11) . ?
Rh2 C59 2.107(8) . ?
Rh2 C60 2.110(9) . ?
Rh2 N4 2.125(5) 2_666 ?
Rh2 O5 2.128(6) . ?
Rh2 O4 2.135(5) . ?
Rh2 C63 2.141(9) . ?
Rh2 C62 2.147(8) . ?
Cu2 O8 1.910(4) . ?
Cu2 O7 1.914(5) . ?
Cu2 O12 1.915(5) . ?
Cu2 O11 1.930(5) . ?
Cu2 O23 2.393(9) . ?
Cu3 O13 1.920(5) . ?
Cu3 O9 1.921(5) . ?
Cu3 O10 1.927(5) . ?
Cu3 O14 1.929(5) . ?
Cu3 O24 2.289(12) . ?
N3 C15 1.317(9) . ?
N3 C11 1.353(9) . ?
N4 C30 1.325(9) . ?
N4 C34 1.345(9) . ?
N4 Rh2 2.125(5) 2_666 ?
O7 C18 1.260(9) . ?
O8 C16 1.282(8) . ?
O9 C23 1.270(9) . ?
O10 C25 1.261(10) . ?
O11 C37 1.251(9) . ?
O12 C35 1.267(8) . ?
O13 C42 1.270(9) . ?
O14 C44 1.268(9) . ?
O15 S1 1.423(9) . ?
O15 Cu1 2.342(7) . ?
O15 Cu1' 2.401(8) . ?
O16 S1 1.444(10) . ?
O17 S1 1.520(11) . ?
S1 C69 1.618(18) . ?
F1 C69 1.280(17) . ?
F2 C69 1.386(17) . ?
F3 C69 1.389(17) . ?
Cu1 N1 1.915(11) . ?
Cu1 N2 1.937(14) . ?
Cu1 O3 1.992(10) . ?
Cu1 O6 2.008(8) . ?
N1 C7 1.303(16) . ?
N1 C1 1.393(18) . ?
N2 C9 1.302(15) . ?
N2 C2 1.409(15) . ?
O3 C8 1.270(11) . ?
O6 C10 1.262(12) . ?
C1 C6 1.390(15) . ?
C1 C2 1.415(18) . ?
C2 C3 1.380(17) . ?
C3 C4 1.416(16) . ?
C4 C5 1.332(19) . ?
C5 C6 1.394(18) . ?
Cu1' N1' 1.912(16) . ?
Cu1' N2' 1.944(14) . ?
Cu1' O6' 1.97(2) . ?
Cu1' O3' 1.98(2) . ?
Cu1' C7 2.549(10) . ?
N1' C8 1.36(2) . ?
N1' C1' 1.394(17) . ?
N2' C10 1.37(2) . ?
N2' C2' 1.400(17) . ?
O3' C7 1.32(3) . ?
O6' C9 1.33(2) . ?
C1' C6' 1.38(3) . ?
C1' C2' 1.427(18) . ?
C2' C3' 1.33(3) . ?
C3' C4' 1.46(4) . ?
C4' C5' 1.36(3) . ?
C5' C6' 1.380(18) . ?
O1 C7 1.272(10) . ?
O2 C8 1.256(10) . ?
O4 C9 1.244(10) . ?
O5 C10 1.231(10) . ?
C7 C8 1.530(12) . ?
C9 C10 1.558(12) . ?
C11 C12 1.396(9) . ?
C12 C13 1.385(10) . ?
C12 C16 1.502(9) . ?
C13 C14 1.373(10) . ?
C14 C15 1.407(9) . ?
C14 C23 1.522(10) . ?
C16 C17 1.385(10) . ?
C17 C18 1.377(10) . ?
C18 C19 1.565(10) . ?
C19 C21 1.459(17) . ?
C19 C20 1.470(16) . ?
C19 C22 1.476(16) . ?
C23 C24 1.370(10) . ?
C24 C25 1.384(11) . ?
C25 C26 1.515(11) . ?
C26 C28 1.477(16) . ?
C26 C29 1.48(2) . ?
C26 C27 1.500(15) . ?
C30 C31 1.386(9) . ?
C31 C32 1.368(10) . ?
C31 C35 1.495(10) . ?
C32 C33 1.384(10) . ?
C33 C34 1.383(10) . ?
C33 C42 1.509(10) . ?
C35 C36 1.380(10) . ?
C36 C37 1.402(11) . ?
C37 C38 1.531(10) . ?
C38 C41 1.452(19) . ?
C38 C40 1.47(2) . ?
C38 C39 1.523(17) . ?
C42 C43 1.373(11) . ?
C43 C44 1.384(11) . ?
C44 C45 1.532(10) . ?
C45 C46 1.456(16) . ?
C45 C48 1.483(18) . ?
C45 C47 1.529(14) . ?
C49 C50 1.417(18) . ?
C49 C53 1.481(15) . ?
C49 C54 1.499(14) . ?
C50 C51 1.420(17) . ?
C50 C55 1.50(2) . ?
C51 C52 1.449(18) . ?
C51 C56 1.493(18) . ?
C52 C53 1.425(14) . ?
C52 C57 1.509(14) . ?
C53 C58 1.496(17) . ?
C59 C60 1.408(15) . ?
C59 C63 1.443(12) . ?
C59 C64 1.476(14) . ?
C60 C61 1.408(13) . ?
C60 C65 1.535(14) . ?
C61 C62 1.413(18) . ?
C61 C66 1.50(2) . ?
C62 C63 1.402(18) . ?
C62 C67 1.506(13) . ?
C63 C68 1.470(17) . ?
C72 C72 1.399(16) 2_676 ?
C72 C73 1.407(10) . ?
C72 C71 1.413(12) . ?
C73 C74 1.373(13) . ?
C73 C77 1.500(13) . ?
C77 O22 1.240(12) . ?
C77 N5 1.366(14) . ?
C74 C75 1.426(14) . ?
C71 C75 1.384(12) 2_676 ?
C71 C76 1.447(13) . ?
C76 O21 1.240(12) . ?
C76 N5 1.378(13) . ?
C75 C71 1.384(12) 2_676 ?
C88 N5 1.510(13) . ?
C78 O23 1.45(2) . ?
C78' O23 1.44(3) . ?
O24 C79 1.362(15) . ?

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
C49 Rh1 O1 106.7(4) . . ?
C49 Rh1 O2 165.2(3) . . ?
O1 Rh1 O2 78.7(2) . . ?
C49 Rh1 C50 39.1(5) . . ?
O1 Rh1 C50 143.9(4) . . ?
O2 Rh1 C50 137.5(4) . . ?
C49 Rh1 N3 110.1(3) . . ?
O1 Rh1 N3 83.8(2) . . ?
O2 Rh1 N3 84.0(2) . . ?
C50 Rh1 N3 97.2(4) . . ?
C49 Rh1 C52 66.5(4) . . ?
O1 Rh1 C52 118.1(4) . . ?
O2 Rh1 C52 98.8(3) . . ?
C50 Rh1 C52 66.0(5) . . ?
N3 Rh1 C52 158.1(4) . . ?
C49 Rh1 C53 40.8(4) . . ?
O1 Rh1 C53 94.1(4) . . ?
O2 Rh1 C53 126.3(3) . . ?
C50 Rh1 C53 66.7(5) . . ?
N3 Rh1 C53 148.7(3) . . ?
C52 Rh1 C53 38.9(4) . . ?
C49 Rh1 C51 65.6(5) . . ?
O1 Rh1 C51 157.5(4) . . ?
O2 Rh1 C51 104.1(4) . . ?
C50 Rh1 C51 38.8(5) . . ?
N3 Rh1 C51 118.6(4) . . ?
C52 Rh1 C51 39.6(5) . . ?
C53 Rh1 C51 66.0(5) . . ?
C61 Rh2 C59 65.4(5) . . ?
C61 Rh2 C60 39.1(4) . . ?
C59 Rh2 C60 39.0(4) . . ?
C61 Rh2 N4 120.8(4) . 2_666 ?
C59 Rh2 N4 105.2(3) . 2_666 ?
C60 Rh2 N4 95.4(3) . 2_666 ?
C61 Rh2 O5 154.3(4) . . ?
C59 Rh2 O5 111.0(4) . . ?
C60 Rh2 O5 149.0(3) . . ?
N4 Rh2 O5 84.9(2) 2_666 . ?
C61 Rh2 O4 102.2(4) . . ?
C59 Rh2 O4 166.9(3) . . ?
C60 Rh2 O4 132.7(3) . . ?
N4 Rh2 O4 84.3(2) 2_666 . ?
O5 Rh2 O4 78.3(2) . . ?
C61 Rh2 C63 64.9(5) . . ?
C59 Rh2 C63 39.7(3) . . ?
C60 Rh2 C63 65.7(4) . . ?
N4 Rh2 C63 142.3(3) 2_666 . ?
O5 Rh2 C63 95.6(4) . . ?
O4 Rh2 C63 132.9(3) . . ?
C61 Rh2 C62 38.9(5) . . ?
C59 Rh2 C62 65.3(4) . . ?
C60 Rh2 C62 65.3(4) . . ?
N4 Rh2 C62 159.2(4) 2_666 . ?
O5 Rh2 C62 115.5(4) . . ?
O4 Rh2 C62 102.7(3) . . ?
C63 Rh2 C62 38.2(5) . . ?
O8 Cu2 O7 92.8(2) . . ?
O8 Cu2 O12 85.97(19) . . ?
O7 Cu2 O12 175.9(3) . . ?
O8 Cu2 O11 174.7(3) . . ?
O7 Cu2 O11 88.4(2) . . ?
O12 Cu2 O11 92.4(2) . . ?
O8 Cu2 O23 89.9(3) . . ?
O7 Cu2 O23 92.9(3) . . ?
O12 Cu2 O23 91.1(3) . . ?
O11 Cu2 O23 95.2(3) . . ?
O13 Cu3 O9 86.2(2) . . ?
O13 Cu3 O10 169.4(4) . . ?
O9 Cu3 O10 92.1(2) . . ?
O13 Cu3 O14 92.0(2) . . ?
O9 Cu3 O14 173.4(4) . . ?
O10 Cu3 O14 88.6(2) . . ?
O13 Cu3 O24 94.7(4) . . ?
O9 Cu3 O24 91.7(4) . . ?
O10 Cu3 O24 95.8(4) . . ?
O14 Cu3 O24 94.7(4) . . ?
C15 N3 C11 121.0(6) . . ?
C15 N3 Rh1 121.8(4) . . ?
C11 N3 Rh1 117.2(4) . . ?
C30 N4 C34 119.7(6) . . ?
C30 N4 Rh2 119.9(4) . 2_666 ?
C34 N4 Rh2 120.0(5) . 2_666 ?
C18 O7 Cu2 125.8(5) . . ?
C16 O8 Cu2 124.1(4) . . ?
C23 O9 Cu3 125.0(5) . . ?
C25 O10 Cu3 128.0(5) . . ?
C37 O11 Cu2 126.9(5) . . ?
C35 O12 Cu2 126.0(5) . . ?
C42 O13 Cu3 125.9(5) . . ?
C44 O14 Cu3 126.9(5) . . ?
S1 O15 Cu1 133.0(5) . . ?
S1 O15 Cu1' 127.5(5) . . ?
O15 S1 O16 114.7(5) . . ?
O15 S1 O17 111.4(7) . . ?
O16 S1 O17 113.4(8) . . ?
O15 S1 C69 100.5(7) . . ?
O16 S1 C69 108.1(9) . . ?
O17 S1 C69 107.5(7) . . ?
N1 Cu1 N2 82.1(5) . . ?
N1 Cu1 O3 85.1(5) . . ?
N2 Cu1 O3 162.9(4) . . ?
N1 Cu1 O6 162.7(4) . . ?
N2 Cu1 O6 83.8(4) . . ?
O3 Cu1 O6 106.5(4) . . ?
N1 Cu1 O15 94.5(4) . . ?
N2 Cu1 O15 98.2(4) . . ?
O3 Cu1 O15 94.1(4) . . ?
O6 Cu1 O15 97.3(3) . . ?
C7 N1 C1 126.2(12) . . ?
C7 N1 Cu1 117.6(9) . . ?
C1 N1 Cu1 116.2(9) . . ?
C9 N2 C2 126.2(13) . . ?
C9 N2 Cu1 119.3(8) . . ?
C2 N2 Cu1 114.6(10) . . ?
C8 O3 Cu1 104.8(7) . . ?
C10 O6 Cu1 106.2(6) . . ?
C6 C1 N1 127.2(14) . . ?
C6 C1 C2 119.6(12) . . ?
N1 C1 C2 113.2(10) . . ?
C3 C2 N2 125.9(12) . . ?
C3 C2 C1 120.5(10) . . ?
N2 C2 C1 113.6(11) . . ?
C2 C3 C4 117.8(12) . . ?
C5 C4 C3 121.8(12) . . ?
C4 C5 C6 121.2(11) . . ?
C1 C6 C5 119.0(12) . . ?
N1' Cu1' N2' 80.1(9) . . ?
N1' Cu1' O6' 163.1(9) . . ?
N2' Cu1' O6' 85.2(8) . . ?
N1' Cu1' O3' 86.3(10) . . ?
N2' Cu1' O3' 162.1(9) . . ?
O6' Cu1' O3' 106.2(10) . . ?
N1' Cu1' O15 85.0(8) . . ?
N2' Cu1' O15 88.2(7) . . ?
O6' Cu1' O15 102.9(7) . . ?
O3' Cu1' O15 102.2(7) . . ?
N1' Cu1' C7 55.6(7) . . ?
N2' Cu1' C7 134.5(7) . . ?
O6' Cu1' C7 136.2(7) . . ?
O3' Cu1' C7 30.7(8) . . ?
O15 Cu1' C7 96.7(3) . . ?
C8 N1' C1' 119.9(15) . . ?
C8 N1' Cu1' 121.2(12) . . ?
C1' N1' Cu1' 118.8(17) . . ?
C10 N2' C2' 121.6(14) . . ?
C10 N2' Cu1' 121.9(11) . . ?
C2' N2' Cu1' 116.5(14) . . ?
C7 O3' Cu1' 99.4(14) . . ?
C9 O6' Cu1' 102.4(12) . . ?
C6' C1' N1' 127.4(18) . . ?
C6' C1' C2' 121.2(17) . . ?
N1' C1' C2' 111(2) . . ?
C3' C2' N2' 129(2) . . ?
C3' C2' C1' 118(2) . . ?
N2' C2' C1' 112.9(18) . . ?
C2' C3' C4' 123(2) . . ?
C5' C4' C3' 115(2) . . ?
C4' C5' C6' 124(2) . . ?
C5' C6' C1' 118(2) . . ?
C7 O1 Rh1 112.6(6) . . ?
C8 O2 Rh1 113.8(5) . . ?
C9 O4 Rh2 113.0(5) . . ?
C10 O5 Rh2 113.4(5) . . ?
O1 C7 N1 136.1(10) . . ?
O1 C7 O3' 106.8(12) . . ?
O1 C7 C8 118.0(8) . . ?
N1 C7 C8 105.7(9) . . ?
O3' C7 C8 134.9(12) . . ?
O1 C7 Cu1' 156.7(7) . . ?
O3' C7 Cu1' 49.9(10) . . ?
C8 C7 Cu1' 85.3(5) . . ?
O2 C8 O3 116.8(8) . . ?
O2 C8 N1' 146.0(10) . . ?
O2 C8 C7 116.9(7) . . ?
O3 C8 C7 126.2(9) . . ?
N1' C8 C7 96.4(9) . . ?
O4 C9 N2 138.2(9) . . ?
O4 C9 O6' 111.1(12) . . ?
O4 C9 C10 116.9(7) . . ?
N2 C9 C10 104.5(9) . . ?
O6' C9 C10 131.2(12) . . ?
O5 C10 O6 116.8(8) . . ?
O5 C10 N2' 144.6(10) . . ?
O5 C10 C9 117.6(8) . . ?
O6 C10 C9 125.5(8) . . ?
N2' C10 C9 97.2(9) . . ?
N3 C11 C12 120.7(6) . . ?
C13 C12 C11 118.2(6) . . ?
C13 C12 C16 120.3(6) . . ?
C11 C12 C16 121.4(6) . . ?
C14 C13 C12 120.4(6) . . ?
C13 C14 C15 118.4(6) . . ?
C13 C14 C23 118.4(6) . . ?
C15 C14 C23 123.2(6) . . ?
N3 C15 C14 121.2(6) . . ?
O8 C16 C17 126.8(6) . . ?
O8 C16 C12 112.2(6) . . ?
C17 C16 C12 121.0(6) . . ?
C18 C17 C16 123.0(6) . . ?
O7 C18 C17 125.6(6) . . ?
O7 C18 C19 113.6(6) . . ?
C17 C18 C19 120.8(6) . . ?
C21 C19 C20 120.9(13) . . ?
C21 C19 C22 104.7(13) . . ?
C20 C19 C22 103.3(13) . . ?
C21 C19 C18 107.0(8) . . ?
C20 C19 C18 111.5(8) . . ?
C22 C19 C18 108.7(8) . . ?
O9 C23 C24 126.5(7) . . ?
O9 C23 C14 112.1(6) . . ?
C24 C23 C14 121.4(6) . . ?
C23 C24 C25 125.1(7) . . ?
O10 C25 C24 123.1(7) . . ?
O10 C25 C26 113.7(7) . . ?
C24 C25 C26 123.2(7) . . ?
C28 C26 C29 100.2(13) . . ?
C28 C26 C27 111.6(11) . . ?
C29 C26 C27 112.3(13) . . ?
C28 C26 C25 111.0(9) . . ?
C29 C26 C25 109.1(10) . . ?
C27 C26 C25 112.0(8) . . ?
N4 C30 C31 122.2(7) . . ?
C32 C31 C30 117.9(7) . . ?
C32 C31 C35 119.3(6) . . ?
C30 C31 C35 122.4(6) . . ?
C31 C32 C33 120.6(6) . . ?
C34 C33 C32 118.1(7) . . ?
C34 C33 C42 122.0(7) . . ?
C32 C33 C42 119.8(6) . . ?
N4 C34 C33 121.4(7) . . ?
O12 C35 C36 125.2(7) . . ?
O12 C35 C31 113.3(6) . . ?
C36 C35 C31 121.5(6) . . ?
C35 C36 C37 124.9(7) . . ?
O11 C37 C36 124.0(7) . . ?
O11 C37 C38 116.3(7) . . ?
C36 C37 C38 119.7(7) . . ?
C41 C38 C40 113.0(14) . . ?
C41 C38 C39 108.2(14) . . ?
C40 C38 C39 104.9(14) . . ?
C41 C38 C37 109.9(9) . . ?
C40 C38 C37 110.0(9) . . ?
C39 C38 C37 110.8(8) . . ?
O13 C42 C43 125.5(7) . . ?
O13 C42 C33 112.8(6) . . ?
C43 C42 C33 121.6(6) . . ?
C42 C43 C44 125.0(7) . . ?
O14 C44 C43 124.1(7) . . ?
O14 C44 C45 114.0(7) . . ?
C43 C44 C45 121.8(7) . . ?
C46 C45 C48 112.6(12) . . ?
C46 C45 C47 109.2(10) . . ?
C48 C45 C47 108.1(11) . . ?
C46 C45 C44 109.2(8) . . ?
C48 C45 C44 105.3(9) . . ?
C47 C45 C44 112.4(7) . . ?
C50 C49 C53 108.1(9) . . ?
C50 C49 C54 126.3(12) . . ?
C53 C49 C54 125.5(12) . . ?
C50 C49 Rh1 71.2(6) . . ?
C53 C49 Rh1 70.8(5) . . ?
C54 C49 Rh1 126.0(8) . . ?
C49 C50 C51 108.7(11) . . ?
C49 C50 C55 123.5(13) . . ?
C51 C50 C55 127.8(15) . . ?
C49 C50 Rh1 69.7(6) . . ?
C51 C50 Rh1 71.2(7) . . ?
C55 C50 Rh1 124.7(10) . . ?
C50 C51 C52 108.2(11) . . ?
C50 C51 C56 125.8(15) . . ?
C52 C51 C56 126.0(13) . . ?
C50 C51 Rh1 70.0(7) . . ?
C52 C51 Rh1 69.9(6) . . ?
C56 C51 Rh1 126.0(10) . . ?
C53 C52 C51 108.6(9) . . ?
C53 C52 C57 126.5(12) . . ?
C51 C52 C57 124.8(11) . . ?
C53 C52 Rh1 70.7(5) . . ?
C51 C52 Rh1 70.5(6) . . ?
C57 C52 Rh1 122.3(8) . . ?
C52 C53 C49 106.4(10) . . ?
C52 C53 C58 128.8(10) . . ?
C49 C53 C58 124.8(10) . . ?
C52 C53 Rh1 70.4(5) . . ?
C49 C53 Rh1 68.5(5) . . ?
C58 C53 Rh1 123.2(9) . . ?
C60 C59 C63 107.9(9) . . ?
C60 C59 C64 125.8(9) . . ?
C63 C59 C64 126.2(11) . . ?
C60 C59 Rh2 70.6(5) . . ?
C63 C59 Rh2 71.4(5) . . ?
C64 C59 Rh2 127.3(8) . . ?
C59 C60 C61 107.5(10) . . ?
C59 C60 C65 125.7(9) . . ?
C61 C60 C65 126.7(11) . . ?
C59 C60 Rh2 70.4(5) . . ?
C61 C60 Rh2 70.0(6) . . ?
C65 C60 Rh2 127.7(7) . . ?
C60 C61 C62 109.1(12) . . ?
C60 C61 C66 125.5(12) . . ?
C62 C61 C66 125.3(10) . . ?
C60 C61 Rh2 70.9(6) . . ?
C62 C61 Rh2 72.4(6) . . ?
C66 C61 Rh2 123.6(10) . . ?
C63 C62 C61 107.9(9) . . ?
C63 C62 C67 125.4(12) . . ?
C61 C62 C67 126.8(13) . . ?
C63 C62 Rh2 70.7(5) . . ?
C61 C62 Rh2 68.7(5) . . ?
C67 C62 Rh2 125.8(7) . . ?
C62 C63 C59 107.6(11) . . ?
C62 C63 C68 127.9(9) . . ?
C59 C63 C68 124.5(11) . . ?
C62 C63 Rh2 71.2(5) . . ?
C59 C63 Rh2 68.9(5) . . ?
C68 C63 Rh2 124.2(8) . . ?
F1 C69 F2 103.9(15) . . ?
F1 C69 F3 108.7(14) . . ?
F2 C69 F3 98.4(13) . . ?
F1 C69 S1 116.6(12) . . ?
F2 C69 S1 114.2(11) . . ?
F3 C69 S1 113.2(14) . . ?
C72 C72 C73 119.2(9) 2_676 . ?
C72 C72 C71 120.5(8) 2_676 . ?
C73 C72 C71 120.3(8) . . ?
C74 C73 C72 121.1(8) . . ?
C74 C73 C77 119.9(8) . . ?
C72 C73 C77 118.9(8) . . ?
O22 C77 N5 121.8(10) . . ?
O22 C77 C73 120.2(10) . . ?
N5 C77 C73 118.0(8) . . ?
C73 C74 C75 119.2(8) . . ?
C75 C71 C72 119.1(8) 2_676 . ?
C75 C71 C76 120.9(9) 2_676 . ?
C72 C71 C76 119.9(8) . . ?
O21 C76 N5 120.0(10) . . ?
O21 C76 C71 121.0(10) . . ?
N5 C76 C71 119.0(8) . . ?
C71 C75 C74 120.7(8) 2_676 . ?
C77 N5 C76 123.9(8) . . ?
C77 N5 C88 121.3(10) . . ?
C76 N5 C88 114.8(10) . . ?
C78' O23 C78 106(2) . . ?
C78' O23 Cu2 125.7(15) . . ?
C78 O23 Cu2 123.9(12) . . ?
C79 O24 Cu3 119.6(15) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Cu1 O15 S1 O16 -14.9(14) . . . . ?
Cu1' O15 S1 O16 10.2(13) . . . . ?
Cu1 O15 S1 O17 -145.5(8) . . . . ?
Cu1' O15 S1 O17 -120.4(7) . . . . ?
Cu1 O15 S1 C69 100.8(10) . . . . ?
Cu1' O15 S1 C69 125.9(9) . . . . ?
C7 N1 C1 C6 1.8(18) . . . . ?
Cu1 N1 C1 C6 -175.9(8) . . . . ?
C7 N1 C1 C2 -176.2(10) . . . . ?
Cu1 N1 C1 C2 6.0(12) . . . . ?
C9 N2 C2 C3 -3.9(18) . . . . ?
Cu1 N2 C2 C3 177.6(8) . . . . ?
C9 N2 C2 C1 176.6(10) . . . . ?
Cu1 N2 C2 C1 -2.0(12) . . . . ?
C6 C1 C2 C3 -0.3(15) . . . . ?
N1 C1 C2 C3 177.9(9) . . . . ?
C6 C1 C2 N2 179.3(9) . . . . ?
N1 C1 C2 N2 -2.5(13) . . . . ?
N2 C2 C3 C4 179.3(10) . . . . ?
C1 C2 C3 C4 -1.2(15) . . . . ?
C2 C3 C4 C5 3.4(17) . . . . ?
C3 C4 C5 C6 -4.0(18) . . . . ?
N1 C1 C6 C5 -178.2(10) . . . . ?
C2 C1 C6 C5 -0.3(15) . . . . ?
C4 C5 C6 C1 2.4(17) . . . . ?
C8 N1' C1' C6' -1(4) . . . . ?
Cu1' N1' C1' C6' 175.0(19) . . . . ?
C8 N1' C1' C2' 179.7(17) . . . . ?
Cu1' N1' C1' C2' -4(3) . . . . ?
C10 N2' C2' C3' 4(3) . . . . ?
Cu1' N2' C2' C3' -176.9(18) . . . . ?
C10 N2' C2' C1' -175.7(17) . . . . ?
Cu1' N2' C2' C1' 4(2) . . . . ?
C6' C1' C2' C3' 1(3) . . . . ?
N1' C1' C2' C3' -179(2) . . . . ?
C6' C1' C2' N2' -179(2) . . . . ?
N1' C1' C2' N2' 0(3) . . . . ?
N2' C2' C3' C4' 177(2) . . . . ?
C1' C2' C3' C4' -3(3) . . . . ?
C2' C3' C4' C5' -2(3) . . . . ?
C3' C4' C5' C6' 9(4) . . . . ?
C4' C5' C6' C1' -11(4) . . . . ?
N1' C1' C6' C5' -174(2) . . . . ?
C2' C1' C6' C5' 5(3) . . . . ?
Rh1 O1 C7 N1 174.1(10) . . . . ?
Rh1 O1 C7 O3' -173.5(10) . . . . ?
Rh1 O1 C7 C8 0.8(8) . . . . ?
Rh1 O1 C7 Cu1' -175.0(11) . . . . ?
C1 N1 C7 O1 0.9(18) . . . . ?
Cu1 N1 C7 O1 178.6(7) . . . . ?
C1 N1 C7 C8 174.7(9) . . . . ?
Cu1 N1 C7 C8 -7.6(9) . . . . ?
Cu1' O3' C7 O1 -179.2(7) . . . . ?
Cu1' O3' C7 C8 7.9(18) . . . . ?
Rh1 O2 C8 O3 -179.2(6) . . . . ?
Rh1 O2 C8 N1' -168(2) . . . . ?
Rh1 O2 C8 C7 -0.5(7) . . . . ?
Cu1 O3 C8 O2 -179.0(5) . . . . ?
Cu1 O3 C8 C7 2.4(9) . . . . ?
C1' N1' C8 O2 -2(4) . . . . ?
Cu1' N1' C8 O2 -177.3(9) . . . . ?
C1' N1' C8 C7 -170.5(19) . . . . ?
Cu1' N1' C8 C7 13.7(16) . . . . ?
O1 C7 C8 O2 -0.2(9) . . . . ?
N1 C7 C8 O2 -175.4(7) . . . . ?
O3' C7 C8 O2 172.1(14) . . . . ?
Cu1' C7 C8 O2 178.1(5) . . . . ?
O1 C7 C8 O3 178.3(7) . . . . ?
N1 C7 C8 O3 3.2(11) . . . . ?
O1 C7 C8 N1' 172.9(11) . . . . ?
O3' C7 C8 N1' -14.8(19) . . . . ?
Cu1' C7 C8 N1' -8.7(10) . . . . ?
Rh2 O4 C9 N2 -164.5(10) . . . . ?
Rh2 O4 C9 O6' 176.9(11) . . . . ?
Rh2 O4 C9 C10 6.4(7) . . . . ?
C2 N2 C9 O4 0.8(19) . . . . ?
Cu1 N2 C9 O4 179.3(8) . . . . ?
C2 N2 C9 C10 -170.7(10) . . . . ?
Cu1 N2 C9 C10 7.8(10) . . . . ?
Cu1' O6' C9 O4 174.9(7) . . . . ?
Cu1' O6' C9 C10 -16.3(18) . . . . ?
Rh2 O5 C10 O6 177.2(5) . . . . ?
Rh2 O5 C10 N2' 162.9(17) . . . . ?
Rh2 O5 C10 C9 -6.0(7) . . . . ?
Cu1 O6 C10 O5 -176.7(5) . . . . ?
Cu1 O6 C10 C9 6.8(9) . . . . ?
C2' N2' C10 O5 0(3) . . . . ?
Cu1' N2' C10 O5 -179.4(8) . . . . ?
C2' N2' C10 C9 169.9(17) . . . . ?
Cu1' N2' C10 C9 -9.3(14) . . . . ?
O4 C9 C10 O5 -0.2(9) . . . . ?
N2 C9 C10 O5 173.4(7) . . . . ?
O6' C9 C10 O5 -168.5(14) . . . . ?
O4 C9 C10 O6 176.2(7) . . . . ?
N2 C9 C10 O6 -10.1(10) . . . . ?
O4 C9 C10 N2' -173.8(10) . . . . ?
O6' C9 C10 N2' 17.9(18) . . . . ?
C15 N3 C11 C12 0.7(11) . . . . ?
Rh1 N3 C11 C12 178.7(5) . . . . ?
N3 C11 C12 C13 -0.2(11) . . . . ?
N3 C11 C12 C16 178.8(7) . . . . ?
C11 C12 C13 C14 -1.3(11) . . . . ?
C16 C12 C13 C14 179.6(7) . . . . ?
C12 C13 C14 C15 2.4(12) . . . . ?
C12 C13 C14 C23 -179.1(7) . . . . ?
C11 N3 C15 C14 0.4(11) . . . . ?
Rh1 N3 C15 C14 -177.5(6) . . . . ?
C13 C14 C15 N3 -1.9(12) . . . . ?
C23 C14 C15 N3 179.7(7) . . . . ?
Cu2 O8 C16 C17 5.8(11) . . . . ?
Cu2 O8 C16 C12 -172.9(4) . . . . ?
C13 C12 C16 O8 19.8(10) . . . . ?
C11 C12 C16 O8 -159.2(7) . . . . ?
C13 C12 C16 C17 -159.0(7) . . . . ?
C11 C12 C16 C17 22.0(11) . . . . ?
O8 C16 C17 C18 3.6(13) . . . . ?
C12 C16 C17 C18 -177.7(7) . . . . ?
Cu2 O7 C18 C17 -9.9(12) . . . . ?
Cu2 O7 C18 C19 168.5(5) . . . . ?
C16 C17 C18 O7 -1.5(13) . . . . ?
C16 C17 C18 C19 -179.7(7) . . . . ?
O7 C18 C19 C21 -66.0(13) . . . . ?
C17 C18 C19 C21 112.4(13) . . . . ?
O7 C18 C19 C20 159.8(12) . . . . ?
C17 C18 C19 C20 -21.8(15) . . . . ?
O7 C18 C19 C22 46.6(13) . . . . ?
C17 C18 C19 C22 -135.0(11) . . . . ?
Cu3 O9 C23 C24 3.4(14) . . . . ?
Cu3 O9 C23 C14 -177.6(6) . . . . ?
C13 C14 C23 O9 -16.3(11) . . . . ?
C15 C14 C23 O9 162.1(8) . . . . ?
C13 C14 C23 C24 162.8(8) . . . . ?
C15 C14 C23 C24 -18.8(13) . . . . ?
O9 C23 C24 C25 1.3(16) . . . . ?
C14 C23 C24 C25 -177.6(8) . . . . ?
Cu3 O10 C25 C24 -2.0(15) . . . . ?
Cu3 O10 C25 C26 -179.1(7) . . . . ?
C23 C24 C25 O10 -2.0(16) . . . . ?
C23 C24 C25 C26 174.8(9) . . . . ?
O10 C25 C26 C28 -42.7(15) . . . . ?
C24 C25 C26 C28 140.2(12) . . . . ?
O10 C25 C26 C29 66.9(15) . . . . ?
C24 C25 C26 C29 -110.3(14) . . . . ?
O10 C25 C26 C27 -168.2(12) . . . . ?
C24 C25 C26 C27 14.7(16) . . . . ?
C34 N4 C30 C31 -1.3(12) . . . . ?
Rh2 N4 C30 C31 172.0(6) 2_666 . . . ?
N4 C30 C31 C32 -2.1(12) . . . . ?
N4 C30 C31 C35 -175.0(7) . . . . ?
C30 C31 C32 C33 4.3(12) . . . . ?
C35 C31 C32 C33 177.4(7) . . . . ?
C31 C32 C33 C34 -3.2(13) . . . . ?
C31 C32 C33 C42 -178.9(8) . . . . ?
C30 N4 C34 C33 2.4(12) . . . . ?
Rh2 N4 C34 C33 -170.8(6) 2_666 . . . ?
C32 C33 C34 N4 -0.2(13) . . . . ?
C42 C33 C34 N4 175.4(7) . . . . ?
Cu2 O12 C35 C36 -5.7(11) . . . . ?
Cu2 O12 C35 C31 174.9(5) . . . . ?
C32 C31 C35 O12 -18.6(11) . . . . ?
C30 C31 C35 O12 154.1(7) . . . . ?
C32 C31 C35 C36 161.9(8) . . . . ?
C30 C31 C35 C36 -25.3(12) . . . . ?
O12 C35 C36 C37 -0.7(14) . . . . ?
C31 C35 C36 C37 178.7(8) . . . . ?
Cu2 O11 C37 C36 5.4(13) . . . . ?
Cu2 O11 C37 C38 -172.7(6) . . . . ?
C35 C36 C37 O11 0.8(14) . . . . ?
C35 C36 C37 C38 178.9(8) . . . . ?
O11 C37 C38 C41 100.9(14) . . . . ?
C36 C37 C38 C41 -77.4(15) . . . . ?
O11 C37 C38 C40 -24.1(15) . . . . ?
C36 C37 C38 C40 157.7(13) . . . . ?
O11 C37 C38 C39 -139.7(12) . . . . ?
C36 C37 C38 C39 42.1(15) . . . . ?
Cu3 O13 C42 C43 -7.6(14) . . . . ?
Cu3 O13 C42 C33 175.4(6) . . . . ?
C34 C33 C42 O13 -161.8(8) . . . . ?
C32 C33 C42 O13 13.7(12) . . . . ?
C34 C33 C42 C43 21.0(13) . . . . ?
C32 C33 C42 C43 -163.5(8) . . . . ?
O13 C42 C43 C44 0.9(16) . . . . ?
C33 C42 C43 C44 177.7(9) . . . . ?
Cu3 O14 C44 C43 3.4(14) . . . . ?
Cu3 O14 C44 C45 -179.6(6) . . . . ?
C42 C43 C44 O14 1.4(15) . . . . ?
C42 C43 C44 C45 -175.4(9) . . . . ?
O14 C44 C45 C46 38.2(14) . . . . ?
C43 C44 C45 C46 -144.7(12) . . . . ?
O14 C44 C45 C48 -83.0(13) . . . . ?
C43 C44 C45 C48 94.1(13) . . . . ?
O14 C44 C45 C47 159.6(9) . . . . ?
C43 C44 C45 C47 -23.3(13) . . . . ?
C53 C49 C50 C51 -0.6(12) . . . . ?
C54 C49 C50 C51 -177.8(10) . . . . ?
Rh1 C49 C50 C51 60.8(8) . . . . ?
C53 C49 C50 C55 179.7(11) . . . . ?
C54 C49 C50 C55 2.5(19) . . . . ?
Rh1 C49 C50 C55 -118.9(13) . . . . ?
C53 C49 C50 Rh1 -61.5(7) . . . . ?
C54 C49 C50 Rh1 121.4(11) . . . . ?
C49 C50 C51 C52 -0.2(13) . . . . ?
C55 C50 C51 C52 179.5(12) . . . . ?
Rh1 C50 C51 C52 59.7(8) . . . . ?
C49 C50 C51 C56 179.5(12) . . . . ?
C55 C50 C51 C56 -1(2) . . . . ?
Rh1 C50 C51 C56 -120.6(13) . . . . ?
C49 C50 C51 Rh1 -59.9(8) . . . . ?
C55 C50 C51 Rh1 119.8(14) . . . . ?
C50 C51 C52 C53 1.0(13) . . . . ?
C56 C51 C52 C53 -178.7(12) . . . . ?
Rh1 C51 C52 C53 60.7(7) . . . . ?
C50 C51 C52 C57 -176.1(10) . . . . ?
C56 C51 C52 C57 4.2(19) . . . . ?
Rh1 C51 C52 C57 -116.4(11) . . . . ?
C50 C51 C52 Rh1 -59.7(8) . . . . ?
C56 C51 C52 Rh1 120.6(13) . . . . ?
C51 C52 C53 C49 -1.3(11) . . . . ?
C57 C52 C53 C49 175.7(10) . . . . ?
Rh1 C52 C53 C49 59.3(6) . . . . ?
C51 C52 C53 C58 -178.0(11) . . . . ?
C57 C52 C53 C58 -1.0(18) . . . . ?
Rh1 C52 C53 C58 -117.4(12) . . . . ?
C51 C52 C53 Rh1 -60.6(7) . . . . ?
C57 C52 C53 Rh1 116.4(11) . . . . ?
C50 C49 C53 C52 1.2(11) . . . . ?
C54 C49 C53 C52 178.4(10) . . . . ?
Rh1 C49 C53 C52 -60.5(7) . . . . ?
C50 C49 C53 C58 178.1(11) . . . . ?
C54 C49 C53 C58 -4.7(16) . . . . ?
Rh1 C49 C53 C58 116.3(11) . . . . ?
C50 C49 C53 Rh1 61.8(7) . . . . ?
C54 C49 C53 Rh1 -121.1(11) . . . . ?
C63 C59 C60 C61 -1.6(11) . . . . ?
C64 C59 C60 C61 -176.9(10) . . . . ?
Rh2 C59 C60 C61 60.4(7) . . . . ?
C63 C59 C60 C65 175.1(9) . . . . ?
C64 C59 C60 C65 -0.2(16) . . . . ?
Rh2 C59 C60 C65 -122.9(10) . . . . ?
C63 C59 C60 Rh2 -62.1(6) . . . . ?
C64 C59 C60 Rh2 122.6(10) . . . . ?
C59 C60 C61 C62 2.1(11) . . . . ?
C65 C60 C61 C62 -174.6(9) . . . . ?
Rh2 C60 C61 C62 62.7(7) . . . . ?
C59 C60 C61 C66 -178.9(12) . . . . ?
C65 C60 C61 C66 4.5(18) . . . . ?
Rh2 C60 C61 C66 -118.2(13) . . . . ?
C59 C60 C61 Rh2 -60.7(7) . . . . ?
C65 C60 C61 Rh2 122.7(10) . . . . ?
C60 C61 C62 C63 -1.7(11) . . . . ?
C66 C61 C62 C63 179.2(12) . . . . ?
Rh2 C61 C62 C63 60.1(7) . . . . ?
C60 C61 C62 C67 178.7(9) . . . . ?
C66 C61 C62 C67 -0.3(18) . . . . ?
Rh2 C61 C62 C67 -119.5(10) . . . . ?
C60 C61 C62 Rh2 -61.8(7) . . . . ?
C66 C61 C62 Rh2 119.2(13) . . . . ?
C61 C62 C63 C59 0.7(11) . . . . ?
C67 C62 C63 C59 -179.8(9) . . . . ?
Rh2 C62 C63 C59 59.5(6) . . . . ?
C61 C62 C63 C68 -178.1(10) . . . . ?
C67 C62 C63 C68 1.5(17) . . . . ?
Rh2 C62 C63 C68 -119.2(11) . . . . ?
C61 C62 C63 Rh2 -58.8(7) . . . . ?
C67 C62 C63 Rh2 120.7(10) . . . . ?
C60 C59 C63 C62 0.6(11) . . . . ?
C64 C59 C63 C62 175.9(10) . . . . ?
Rh2 C59 C63 C62 -61.0(7) . . . . ?
C60 C59 C63 C68 179.4(9) . . . . ?
C64 C59 C63 C68 -5.3(16) . . . . ?
Rh2 C59 C63 C68 117.8(10) . . . . ?
C60 C59 C63 Rh2 61.6(6) . . . . ?
C64 C59 C63 Rh2 -123.2(11) . . . . ?
O15 S1 C69 F1 59.9(14) . . . . ?
O16 S1 C69 F1 -179.5(12) . . . . ?
O17 S1 C69 F1 -56.7(15) . . . . ?
O15 S1 C69 F2 -178.8(11) . . . . ?
O16 S1 C69 F2 -58.2(14) . . . . ?
O17 S1 C69 F2 64.6(14) . . . . ?
O15 S1 C69 F3 -67.3(12) . . . . ?
O16 S1 C69 F3 53.3(13) . . . . ?
O17 S1 C69 F3 176.2(11) . . . . ?
C72 C72 C73 C74 -0.6(14) 2_676 . . . ?
C71 C72 C73 C74 -178.9(8) . . . . ?
C72 C72 C73 C77 177.2(9) 2_676 . . . ?
C71 C72 C73 C77 -1.1(12) . . . . ?
C74 C73 C77 O22 -0.7(14) . . . . ?
C72 C73 C77 O22 -178.6(9) . . . . ?
C74 C73 C77 N5 178.0(9) . . . . ?
C72 C73 C77 N5 0.1(13) . . . . ?
C72 C73 C74 C75 -1.6(13) . . . . ?
C77 C73 C74 C75 -179.4(8) . . . . ?
C72 C72 C71 C75 0.6(14) 2_676 . . 2_676 ?
C73 C72 C71 C75 178.8(8) . . . 2_676 ?
C72 C72 C71 C76 -177.0(9) 2_676 . . . ?
C73 C72 C71 C76 1.3(12) . . . . ?
C75 C71 C76 O21 2.6(14) 2_676 . . . ?
C72 C71 C76 O21 -179.9(9) . . . . ?
C75 C71 C76 N5 -178.1(8) 2_676 . . . ?
C72 C71 C76 N5 -0.6(13) . . . . ?
C73 C74 C75 C71 2.8(14) . . . 2_676 ?
O22 C77 N5 C76 179.3(9) . . . . ?
C73 C77 N5 C76 0.6(14) . . . . ?
O22 C77 N5 C88 2.6(16) . . . . ?
C73 C77 N5 C88 -176.1(10) . . . . ?
O21 C76 N5 C77 178.9(9) . . . . ?
C71 C76 N5 C77 -0.4(14) . . . . ?
O21 C76 N5 C88 -4.2(14) . . . . ?
C71 C76 N5 C88 176.5(9) . . . . ?

_refine_diff_density_max         1.682
_refine_diff_density_min         -0.551
_refine_diff_density_rms         0.128

####################################################################### 
# 
# 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_1b
_database_code_depnum_ccdc_archive 'CCDC 1571142'
_audit_update_record             
;
2018-01-04 deposited with the CCDC.
2018-01-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C135 H222 Cl2 F18 N6 O52 Rh6 S6'
_chemical_formula_weight         3983.89

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'
Rh Rh 0.0927 3.6045 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 '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                   18.4386(14)
_cell_length_b                   19.8780(16)
_cell_length_c                   26.209(2)
_cell_angle_alpha                76.796(4)
_cell_angle_beta                 70.094(4)
_cell_angle_gamma                74.016(4)
_cell_volume                     8586.0(12)
_cell_formula_units_Z            2
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    9258
_cell_measurement_theta_min      2.98
_cell_measurement_theta_max      68.51

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.541
_exptl_crystal_F_000             4104
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.180
_exptl_absorpt_coefficient_mu    6.387
_shelx_estimated_absorpt_T_min   0.298
_shelx_estimated_absorpt_T_max   0.393
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.000
_exptl_absorpt_correction_T_max  0.006
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      200(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            103779
_diffrn_reflns_av_unetI/netI     0.1030
_diffrn_reflns_av_R_equivalents  0.0686
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_theta_min         2.338
_diffrn_reflns_theta_max         67.499
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measured_fraction_theta_full 0.976
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_Laue_measured_fraction_full 0.976
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_point_group_measured_fraction_full 0.976
_reflns_number_total             30320
_reflns_number_gt                21994
_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          
; 
 13 ISOR, 6 DELU and 24 DFIX instructions were used to 
 restrain anions, tert-butyl groups and Cp* fragments so 
 that there were 108 restraints in the data. Hydrogen of 
 methanol molecules could not be found and others were put 
 in calculated positions. 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)²+65.0000P] 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         30320
_refine_ls_number_parameters     1626
_refine_ls_number_restraints     108
_refine_ls_R_factor_all          0.1964
_refine_ls_R_factor_gt           0.1796
_refine_ls_wR_factor_ref         0.4294
_refine_ls_wR_factor_gt          0.4159
_refine_ls_goodness_of_fit_ref   1.158
_refine_ls_restrained_S_all      1.158
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
1 0.000 0.030 -0.008 2553.9 2145.1
2 0.490 0.702 0.792 151.5 133.6
3 0.510 0.298 0.208 150.2 190.4
_platon_squeeze_details          
; 
 In asymmetric unit of this data, there were disordered 
 anions and solvents (two triflate anions, fifteen methanol 
 and three 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 0.25491(7) 0.55734(6) 0.23085(4) 0.0721(3) Uani 1 1 d . . . . .
Rh2 Rh 0.42739(7) 0.24601(5) 0.04649(4) 0.0712(3) Uani 1 1 d . . . . .
Rh3 Rh 0.11009(6) 0.28004(5) 0.43022(4) 0.0696(3) Uani 1 1 d . . . . .
Rh4 Rh 0.26365(7) 0.00244(6) 0.27476(4) 0.0719(3) Uani 1 1 d . . . . .
Rh5 Rh 0.64648(7) 0.35509(7) 0.35394(5) 0.0779(3) Uani 1 1 d . . . . .
Rh6 Rh 0.79772(7) 0.07694(6) 0.19749(5) 0.0786(3) Uani 1 1 d . . . . .
Cl1 Cl 0.1897(2) 0.3358(2) 0.20298(15) 0.0812(9) Uani 1 1 d . . . . .
Cl2 Cl 0.4939(3) 0.4650(3) 0.0767(2) 0.1104(16) Uani 1 1 d . . . . .
N1 N 0.3116(7) 0.4840(6) 0.2850(5) 0.070(3) Uani 1 1 d . . . . .
N2 N 0.4793(7) 0.1813(6) 0.1068(4) 0.066(3) Uani 1 1 d . . . . .
N3 N 0.1748(8) 0.1958(6) 0.3819(5) 0.076(3) Uani 1 1 d . . . . .
N4 N 0.2322(7) 0.0867(6) 0.3209(5) 0.074(3) Uani 1 1 d . . . . .
N5 N 0.6877(9) 0.2765(7) 0.3005(5) 0.083(3) Uani 1 1 d . . . . .
N6 N 0.7474(8) 0.1681(6) 0.2382(5) 0.073(3) Uani 1 1 d . . . . .
O1 O 0.3568(6) 0.5170(5) 0.1663(4) 0.074(2) Uani 1 1 d . . . . .
O2 O 0.2260(6) 0.4678(5) 0.2180(4) 0.072(2) Uani 1 1 d . . . . .
O3 O 0.3284(6) 0.2828(5) 0.1135(4) 0.071(2) Uani 1 1 d . . . . .
O4 O 0.4570(6) 0.3341(5) 0.0617(4) 0.077(2) Uani 1 1 d . . . . .
O5 O 0.1994(6) 0.3326(5) 0.3804(4) 0.071(2) Uani 1 1 d . . . . .
O6 O 0.1808(6) 0.2322(6) 0.4809(4) 0.076(2) Uani 1 1 d . . . . .
O7 O 0.5370(6) 0.3709(6) 0.3409(4) 0.081(3) Uani 1 1 d . . . . .
O8 O 0.6811(7) 0.4241(7) 0.2807(5) 0.090(3) Uani 1 1 d . . . . .
O9 O 0.3520(6) 0.0545(5) 0.2225(4) 0.072(2) Uani 1 1 d . . . . .
O10 O 0.3380(6) -0.0481(5) 0.3224(4) 0.078(3) Uani 1 1 d . . . . .
O11 O 0.6875(6) 0.0969(6) 0.1833(4) 0.085(3) Uani 1 1 d . . . . .
O12 O 0.8311(7) 0.1512(7) 0.1270(5) 0.096(3) Uani 1 1 d . . . . .
O13 O 0.4874(12) 0.1959(10) 0.3857(8) 0.151(6) Uani 1 1 d . . . . .
O14 O 0.5361(13) 0.0981(11) 0.3334(11) 0.166(8) Uani 1 1 d . . . . .
O15 O 0.4158(15) 0.1018(15) 0.4085(9) 0.187(9) Uani 1 1 d . . . . .
O16 O 0.0581(9) 0.2439(8) 0.2495(6) 0.113(4) Uani 1 1 d . . . . .
O17 O -0.0697(18) 0.303(2) 0.2561(13) 0.220(13) Uani 1 1 d . . . . .
O18 O -0.0372(13) 0.1959(12) 0.2401(11) 0.173(8) Uani 1 1 d . . . . .
O19 O 0.6193(19) 0.7539(17) 0.1296(11) 0.202(10) Uani 1 1 d . . . . .
O20 O 0.541(3) 0.747(3) 0.2265(17) 0.290(19) Uani 1 1 d . . . . .
O21 O 0.4861(18) 0.7730(15) 0.1526(11) 0.192(9) Uani 1 1 d . . . . .
O22 O 0.1620(17) 0.5409(15) 0.5464(12) 0.187(9) Uani 1 1 d . . . . .
O23 O 0.1724(16) 0.6122(15) 0.4638(11) 0.187(9) Uani 1 1 d . . . . .
O24 O 0.169(2) 0.508(3) 0.455(2) 0.286(18) Uani 1 1 d . U . . .
S1 S 0.4888(5) 0.1224(4) 0.3841(3) 0.138(2) Uani 1 1 d D U . . .
S2 S -0.0103(3) 0.2548(3) 0.2354(2) 0.1023(13) Uani 1 1 d . . . . .
S3 S 0.5512(6) 0.7775(5) 0.1695(4) 0.153(3) Uani 1 1 d . . . . .
S4 S 0.1894(6) 0.5418(7) 0.4884(5) 0.167(3) Uani 1 1 d . . . . .
F1 F 0.6197(14) 0.0867(13) 0.4100(11) 0.196(8) Uani 1 1 d . . . . .
F2 F 0.5148(16) 0.0861(14) 0.4798(10) 0.212(9) Uani 1 1 d D . . . .
F3 F 0.5520(17) 0.0014(12) 0.4329(14) 0.232(12) Uani 1 1 d . . . . .
F4 F 0.0439(15) 0.3415(13) 0.1490(10) 0.206(10) Uani 1 1 d D U . . .
F5 F 0.0750(19) 0.242(3) 0.1328(14) 0.305(19) Uani 1 1 d . . . . .
F6 F -0.0476(16) 0.3014(14) 0.1441(12) 0.222(10) Uani 1 1 d . . . . .
F7 F 0.599(3) 0.887(2) 0.1768(15) 0.31(2) Uani 1 1 d D . . . .
F8 F 0.5428(16) 0.9059(15) 0.1142(12) 0.217(9) Uani 1 1 d D . . . .
F9 F 0.493(2) 0.9044(18) 0.1877(14) 0.249(12) Uani 1 1 d D U . . .
F10 F 0.3271(12) 0.5449(11) 0.4825(9) 0.177(6) Uani 1 1 d . . . . .
F11 F 0.3089(19) 0.439(2) 0.4911(14) 0.252(12) Uani 1 1 d . U . . .
F12 F 0.3271(13) 0.5072(12) 0.4134(9) 0.192(7) Uani 1 1 d D . . . .
C1 C 0.3495(12) 0.4615(7) 0.1538(7) 0.085(5) Uani 1 1 d . . . . .
C2 C 0.2781(10) 0.4337(8) 0.1829(6) 0.080(4) Uani 1 1 d . . . . .
C3 C 0.2737(7) 0.3708(7) 0.1688(5) 0.063(3) Uani 1 1 d . . . . .
C4 C 0.3309(8) 0.3381(7) 0.1288(5) 0.066(3) Uani 1 1 d . . . . .
C5 C 0.4059(9) 0.3673(7) 0.0977(6) 0.070(3) Uani 1 1 d . . . . .
C6 C 0.4116(9) 0.4283(8) 0.1124(6) 0.078(4) Uani 1 1 d . . . . .
C7 C 0.2735(9) 0.4356(8) 0.3216(7) 0.078(4) Uani 1 1 d . . . . .
H7 H 0.2197 0.4391 0.3248 0.094 Uiso 1 1 calc R U . . .
C8 C 0.3099(8) 0.3804(7) 0.3549(6) 0.068(3) Uani 1 1 d . . . . .
C9 C 0.3872(10) 0.3769(8) 0.3484(6) 0.075(4) Uani 1 1 d . . . . .
H9 H 0.4137 0.3411 0.3708 0.090 Uiso 1 1 calc R U . . .
C10 C 0.4288(9) 0.4251(8) 0.3094(6) 0.073(3) Uani 1 1 d . . . . .
C11 C 0.3854(10) 0.4785(9) 0.2802(7) 0.080(4) Uani 1 1 d . . . . .
H11 H 0.4115 0.5133 0.2551 0.097 Uiso 1 1 calc R U . . .
C12 C 0.2602(8) 0.3318(7) 0.3924(6) 0.067(3) Uani 1 1 d . . . . .
C13 C 0.2852(10) 0.2917(9) 0.4380(7) 0.082(4) Uani 1 1 d . . . . .
H13 H 0.3323 0.2981 0.4417 0.098 Uiso 1 1 calc R U . . .
C14 C 0.2443(9) 0.2421(8) 0.4790(6) 0.074(3) Uani 1 1 d . . . . .
C15 C 0.2773(11) 0.2031(11) 0.5279(8) 0.100(5) Uani 1 1 d . . . . .
C16 C 0.281(2) 0.1286(15) 0.5323(13) 0.155(11) Uani 1 1 d . . . . .
H16A H 0.3350 0.1052 0.5134 0.232 Uiso 1 1 calc R U . . .
H16B H 0.2441 0.1222 0.5154 0.232 Uiso 1 1 calc R U . . .
H16C H 0.2673 0.1076 0.5711 0.232 Uiso 1 1 calc R U . . .
C17 C 0.214(3) 0.237(3) 0.5807(12) 0.22(2) Uani 1 1 d . . . . .
H17A H 0.1651 0.2202 0.5903 0.336 Uiso 1 1 calc R U . . .
H17B H 0.2030 0.2885 0.5719 0.336 Uiso 1 1 calc R U . . .
H17C H 0.2359 0.2221 0.6118 0.336 Uiso 1 1 calc R U . . .
C18 C 0.3500(16) 0.2188(17) 0.5244(9) 0.130(8) Uani 1 1 d . . . . .
H18A H 0.3803 0.1785 0.5434 0.196 Uiso 1 1 calc R U . . .
H18B H 0.3390 0.2608 0.5417 0.196 Uiso 1 1 calc R U . . .
H18C H 0.3807 0.2278 0.4858 0.196 Uiso 1 1 calc R U . . .
C19 C 0.5145(9) 0.4167(7) 0.3040(6) 0.072(3) Uani 1 1 d . . . . .
C20 C 0.5603(11) 0.4567(11) 0.2622(7) 0.092(5) Uani 1 1 d . . . . .
H20 H 0.5348 0.4869 0.2367 0.111 Uiso 1 1 calc R U . . .
C21 C 0.6421(9) 0.4591(9) 0.2515(7) 0.081(4) Uani 1 1 d . . . . .
C22 C 0.6813(13) 0.5058(10) 0.2014(9) 0.124(8) Uani 1 1 d D U . . .
C23 C 0.7563(18) 0.4568(16) 0.1709(11) 0.206(18) Uani 1 1 d D . . . .
H23A H 0.7439 0.4122 0.1704 0.310 Uiso 1 1 calc R U . . .
H23B H 0.7966 0.4473 0.1898 0.310 Uiso 1 1 calc R U . . .
H23C H 0.7764 0.4798 0.1332 0.310 Uiso 1 1 calc R U . . .
C24 C 0.6320(18) 0.538(2) 0.1628(13) 0.210(16) Uani 1 1 d D U . . .
H24A H 0.6126 0.5012 0.1555 0.315 Uiso 1 1 calc R U . . .
H24B H 0.6642 0.5602 0.1283 0.315 Uiso 1 1 calc R U . . .
H24C H 0.5870 0.5741 0.1796 0.315 Uiso 1 1 calc R U . . .
C25 C 0.701(2) 0.5612(16) 0.2229(13) 0.176(13) Uani 1 1 d D U . . .
H25A H 0.7473 0.5772 0.1961 0.264 Uiso 1 1 calc R U . . .
H25B H 0.7126 0.5407 0.2577 0.264 Uiso 1 1 calc R U . . .
H25C H 0.6559 0.6016 0.2287 0.264 Uiso 1 1 calc R U . . .
C26 C 0.4387(9) 0.1425(8) 0.1465(5) 0.069(3) Uani 1 1 d . . . . .
H26 H 0.3853 0.1461 0.1488 0.083 Uiso 1 1 calc R U . . .
C27 C 0.4695(9) 0.0945(8) 0.1871(6) 0.078(4) Uani 1 1 d . . . . .
C28 C 0.5456(9) 0.0938(8) 0.1835(6) 0.075(4) Uani 1 1 d . . . . .
H28 H 0.5700 0.0625 0.2092 0.090 Uiso 1 1 calc R U . . .
C29 C 0.5872(9) 0.1388(9) 0.1423(6) 0.079(4) Uani 1 1 d . . . . .
C30 C 0.5520(10) 0.1794(8) 0.1056(6) 0.077(4) Uani 1 1 d . . . . .
H30 H 0.5812 0.2089 0.0766 0.092 Uiso 1 1 calc R U . . .
C31 C 0.4172(9) 0.0506(7) 0.2314(5) 0.069(3) Uani 1 1 d . . . . .
C32 C 0.4422(9) 0.0098(8) 0.2758(6) 0.079(4) Uani 1 1 d . . . . .
H32 H 0.4894 0.0160 0.2794 0.094 Uiso 1 1 calc R U . . .
C33 C 0.4043(9) -0.0388(8) 0.3147(6) 0.074(3) Uani 1 1 d . . . . .
C34 C 0.4478(12) -0.0884(9) 0.3579(7) 0.090(4) Uani 1 1 d . . . . .
C35 C 0.5339(14) -0.0828(12) 0.3427(9) 0.115(7) Uani 1 1 d . . . . .
H35A H 0.5367 -0.0328 0.3357 0.173 Uiso 1 1 calc R U . . .
H35B H 0.5647 -0.1045 0.3096 0.173 Uiso 1 1 calc R U . . .
H35C H 0.5555 -0.1074 0.3730 0.173 Uiso 1 1 calc R U . . .
C36 C 0.3996(16) -0.0715(15) 0.4157(9) 0.125(7) Uani 1 1 d . . . . .
H36A H 0.4272 -0.1000 0.4421 0.187 Uiso 1 1 calc R U . . .
H36B H 0.3475 -0.0825 0.4254 0.187 Uiso 1 1 calc R U . . .
H36C H 0.3932 -0.0211 0.4166 0.187 Uiso 1 1 calc R U . . .
C37 C 0.448(2) -0.1638(12) 0.3548(13) 0.147(10) Uani 1 1 d . . . . .
H37A H 0.4333 -0.1900 0.3919 0.221 Uiso 1 1 calc R U . . .
H37B H 0.5010 -0.1868 0.3343 0.221 Uiso 1 1 calc R U . . .
H37C H 0.4100 -0.1632 0.3360 0.221 Uiso 1 1 calc R U . . .
C38 C 0.6710(9) 0.1373(9) 0.1423(6) 0.075(4) Uani 1 1 d . . . . .
C39 C 0.7200(13) 0.1740(12) 0.0994(8) 0.109(7) Uani 1 1 d . . . . .
H39 H 0.7003 0.1972 0.0693 0.131 Uiso 1 1 calc R U . . .
C40 C 0.7931(11) 0.1806(11) 0.0954(7) 0.091(5) Uani 1 1 d . . . . .
C41 C 0.8379(14) 0.2270(14) 0.0481(8) 0.142(10) Uani 1 1 d D U . . .
C42 C 0.827(2) 0.2284(17) -0.0062(11) 0.179(13) Uani 1 1 d D U . . .
H42A H 0.7868 0.2016 -0.0010 0.269 Uiso 1 1 calc R U . . .
H42B H 0.8769 0.2070 -0.0311 0.269 Uiso 1 1 calc R U . . .
H42C H 0.8093 0.2775 -0.0220 0.269 Uiso 1 1 calc R U . . .
C43 C 0.818(2) 0.3003(16) 0.0650(13) 0.190(14) Uani 1 1 d D U . . .
H43A H 0.7610 0.3136 0.0831 0.284 Uiso 1 1 calc R U . . .
H43B H 0.8328 0.3351 0.0323 0.284 Uiso 1 1 calc R U . . .
H43C H 0.8470 0.2993 0.0904 0.284 Uiso 1 1 calc R U . . .
C44 C 0.9238(16) 0.198(2) 0.0485(17) 0.237(19) Uani 1 1 d D U . . .
H44A H 0.9580 0.2252 0.0187 0.355 Uiso 1 1 calc R U . . .
H44B H 0.9398 0.1482 0.0434 0.355 Uiso 1 1 calc R U . . .
H44C H 0.9286 0.2022 0.0837 0.355 Uiso 1 1 calc R U . . .
C45 C 0.2222(12) 0.6458(8) 0.2738(7) 0.087(4) Uani 1 1 d . . . . .
C46 C 0.2617(11) 0.6639(8) 0.2198(7) 0.085(4) Uani 1 1 d . . . . .
C47 C 0.2152(13) 0.6557(9) 0.1862(8) 0.095(5) Uani 1 1 d . . . . .
C48 C 0.1513(12) 0.6315(10) 0.2225(10) 0.103(5) Uani 1 1 d . . . . .
C49 C 0.1555(12) 0.6228(9) 0.2762(8) 0.095(5) Uani 1 1 d . . . . .
C50 C 0.2486(16) 0.6469(13) 0.3207(9) 0.121(7) Uani 1 1 d . . . . .
H50A H 0.2209 0.6908 0.3361 0.181 Uiso 1 1 calc R U . . .
H50B H 0.3057 0.6444 0.3083 0.181 Uiso 1 1 calc R U . . .
H50C H 0.2368 0.6062 0.3489 0.181 Uiso 1 1 calc R U . . .
C51 C 0.3417(14) 0.6886(11) 0.1924(10) 0.114(6) Uani 1 1 d . . . . .
H51A H 0.3567 0.7030 0.2201 0.171 Uiso 1 1 calc R U . . .
H51B H 0.3356 0.7287 0.1633 0.171 Uiso 1 1 calc R U . . .
H51C H 0.3829 0.6495 0.1765 0.171 Uiso 1 1 calc R U . . .
C52 C 0.235(2) 0.6716(13) 0.1256(11) 0.138(9) Uani 1 1 d . . . . .
H52A H 0.2626 0.6281 0.1097 0.207 Uiso 1 1 calc R U . . .
H52B H 0.2683 0.7063 0.1116 0.207 Uiso 1 1 calc R U . . .
H52C H 0.1857 0.6910 0.1152 0.207 Uiso 1 1 calc R U . . .
C53 C 0.080(2) 0.6119(18) 0.2089(14) 0.160(11) Uani 1 1 d . . . . .
H53A H 0.1022 0.5841 0.1785 0.240 Uiso 1 1 calc R U . . .
H53B H 0.0441 0.6556 0.1987 0.240 Uiso 1 1 calc R U . . .
H53C H 0.0504 0.5841 0.2415 0.240 Uiso 1 1 calc R U . . .
C54 C 0.0924(14) 0.6014(12) 0.3293(9) 0.117(7) Uani 1 1 d . . . . .
H54A H 0.1136 0.5915 0.3605 0.175 Uiso 1 1 calc R U . . .
H54B H 0.0780 0.5589 0.3261 0.175 Uiso 1 1 calc R U . . .
H54C H 0.0455 0.6401 0.3350 0.175 Uiso 1 1 calc R U . . .
C55 C 0.3706(12) 0.2745(11) -0.0164(6) 0.095(5) Uani 1 1 d . . . . .
C56 C 0.4478(10) 0.2808(9) -0.0411(6) 0.084(4) Uani 1 1 d D . . . .
C57 C 0.4981(11) 0.2140(8) -0.0298(6) 0.088(5) Uani 1 1 d D . . . .
C58 C 0.4542(17) 0.1633(10) -0.0033(8) 0.114(7) Uani 1 1 d . . . . .
C59 C 0.3697(13) 0.2011(10) 0.0090(8) 0.096(5) Uani 1 1 d . . . . .
C60 C 0.2924(16) 0.3327(16) -0.0156(10) 0.133(8) Uani 1 1 d . . . . .
H60A H 0.3036 0.3797 -0.0214 0.200 Uiso 1 1 calc R U . . .
H60B H 0.2526 0.3253 0.0199 0.200 Uiso 1 1 calc R U . . .
H60C H 0.2725 0.3292 -0.0449 0.200 Uiso 1 1 calc R U . . .
C61 C 0.4715(13) 0.3513(11) -0.0668(7) 0.103(5) Uani 1 1 d . . . . .
H61A H 0.4635 0.3656 -0.1031 0.154 Uiso 1 1 calc R U . . .
H61B H 0.5273 0.3464 -0.0703 0.154 Uiso 1 1 calc R U . . .
H61C H 0.4390 0.3872 -0.0434 0.154 Uiso 1 1 calc R U . . .
C62 C 0.5844(13) 0.1995(13) -0.0509(10) 0.128(8) Uani 1 1 d D . . . .
H62A H 0.6068 0.1626 -0.0252 0.192 Uiso 1 1 calc R U . . .
H62B H 0.6028 0.2428 -0.0549 0.192 Uiso 1 1 calc R U . . .
H62C H 0.6013 0.1835 -0.0867 0.192 Uiso 1 1 calc R U . . .
C63 C 0.4823(19) 0.0886(14) 0.0107(12) 0.138(9) Uani 1 1 d . . . . .
H63A H 0.5041 0.0664 -0.0226 0.208 Uiso 1 1 calc R U . . .
H63B H 0.4384 0.0676 0.0360 0.208 Uiso 1 1 calc R U . . .
H63C H 0.5235 0.0807 0.0285 0.208 Uiso 1 1 calc R U . . .
C64 C 0.2944(16) 0.1724(13) 0.0373(9) 0.120(7) Uani 1 1 d . . . . .
H64A H 0.2822 0.1528 0.0109 0.181 Uiso 1 1 calc R U . . .
H64B H 0.2505 0.2108 0.0513 0.181 Uiso 1 1 calc R U . . .
H64C H 0.3025 0.1351 0.0679 0.181 Uiso 1 1 calc R U . . .
C65 C -0.0002(8) 0.2727(8) 0.4327(6) 0.074(4) Uani 1 1 d . U . . .
C66 C -0.0044(12) 0.2644(12) 0.4860(9) 0.123(8) Uani 1 1 d D U . . .
C67 C 0.0133(10) 0.3288(10) 0.4890(8) 0.095(5) Uani 1 1 d D . . . .
C68 C 0.0195(9) 0.3748(7) 0.4393(7) 0.077(4) Uani 1 1 d . . . . .
C69 C 0.0117(9) 0.3393(9) 0.4016(6) 0.079(4) Uani 1 1 d . . . . .
C70 C -0.0163(16) 0.2142(14) 0.4067(12) 0.129(8) Uani 1 1 d . . . . .
H70A H -0.0214 0.1714 0.4338 0.193 Uiso 1 1 calc R U . . .
H70B H 0.0280 0.2026 0.3741 0.193 Uiso 1 1 calc R U . . .
H70C H -0.0652 0.2330 0.3963 0.193 Uiso 1 1 calc R U . . .
C71 C -0.0173(14) 0.2019(16) 0.5289(8) 0.130(9) Uani 1 1 d . . . . .
H71A H -0.0276 0.1660 0.5137 0.195 Uiso 1 1 calc R U . . .
H71B H -0.0627 0.2163 0.5601 0.195 Uiso 1 1 calc R U . . .
H71C H 0.0299 0.1822 0.5412 0.195 Uiso 1 1 calc R U . . .
C72 C 0.0211(18) 0.3489(18) 0.5390(12) 0.153(11) Uani 1 1 d . . . . .
H72A H 0.0598 0.3788 0.5273 0.230 Uiso 1 1 calc R U . . .
H72B H 0.0386 0.3060 0.5627 0.230 Uiso 1 1 calc R U . . .
H72C H -0.0303 0.3750 0.5594 0.230 Uiso 1 1 calc R U . . .
C73 C 0.0441(11) 0.4439(8) 0.4220(9) 0.092(5) Uani 1 1 d . . . . .
H73A H 0.0965 0.4377 0.4261 0.138 Uiso 1 1 calc R U . . .
H73B H 0.0059 0.4783 0.4449 0.138 Uiso 1 1 calc R U . . .
H73C H 0.0461 0.4610 0.3835 0.138 Uiso 1 1 calc R U . . .
C74 C 0.0169(14) 0.3685(12) 0.3405(8) 0.109(6) Uani 1 1 d . . . . .
H74A H 0.0525 0.4015 0.3261 0.164 Uiso 1 1 calc R U . . .
H74B H -0.0358 0.3932 0.3376 0.164 Uiso 1 1 calc R U . . .
H74C H 0.0373 0.3292 0.3191 0.164 Uiso 1 1 calc R U . . .
C75 C 0.1534(10) 0.0092(7) 0.2780(5) 0.076(4) Uani 1 1 d D . . . .
C76 C 0.1904(11) 0.0190(10) 0.2239(6) 0.086(4) Uani 1 1 d . . . . .
C77 C 0.2502(12) -0.0397(11) 0.2105(8) 0.096(5) Uani 1 1 d . . . . .
C78 C 0.2497(12) -0.0944(9) 0.2609(10) 0.103(6) Uani 1 1 d . . . . .
C79 C 0.1806(10) -0.0616(10) 0.3021(10) 0.109(7) Uani 1 1 d . . . . .
C80 C 0.0757(9) 0.0500(11) 0.3058(8) 0.104(5) Uani 1 1 d D . . . .
H80A H 0.0711 0.1000 0.2896 0.156 Uiso 1 1 calc R U . . .
H80B H 0.0701 0.0452 0.3449 0.156 Uiso 1 1 calc R U . . .
H80C H 0.0342 0.0319 0.3013 0.156 Uiso 1 1 calc R U . . .
C81 C 0.1728(15) 0.0849(15) 0.1835(9) 0.123(7) Uani 1 1 d . . . . .
H81A H 0.1158 0.0987 0.1884 0.185 Uiso 1 1 calc R U . . .
H81B H 0.2008 0.0750 0.1459 0.185 Uiso 1 1 calc R U . . .
H81C H 0.1904 0.1235 0.1900 0.185 Uiso 1 1 calc R U . . .
C82 C 0.3157(13) -0.0486(15) 0.1577(8) 0.118(7) Uani 1 1 d . . . . .
H82A H 0.2981 -0.0180 0.1271 0.177 Uiso 1 1 calc R U . . .
H82B H 0.3295 -0.0981 0.1517 0.177 Uiso 1 1 calc R U . . .
H82C H 0.3620 -0.0356 0.1597 0.177 Uiso 1 1 calc R U . . .
C83 C 0.304(2) -0.1663(16) 0.2670(18) 0.180(14) Uani 1 1 d . . . . .
H83A H 0.2748 -0.1986 0.2958 0.270 Uiso 1 1 calc R U . . .
H83B H 0.3487 -0.1618 0.2771 0.270 Uiso 1 1 calc R U . . .
H83C H 0.3234 -0.1851 0.2322 0.270 Uiso 1 1 calc R U . . .
C84 C 0.1563(14) -0.1011(15) 0.3603(10) 0.124(8) Uani 1 1 d . . . . .
H84A H 0.1803 -0.1516 0.3603 0.186 Uiso 1 1 calc R U . . .
H84B H 0.0986 -0.0945 0.3737 0.186 Uiso 1 1 calc R U . . .
H84C H 0.1743 -0.0825 0.3844 0.186 Uiso 1 1 calc R U . . .
C85 C 0.7087(12) 0.2962(9) 0.4107(7) 0.088(5) Uani 1 1 d . . . . .
C86 C 0.7295(11) 0.3622(12) 0.3884(9) 0.105(6) Uani 1 1 d . . . . .
C87 C 0.6569(13) 0.4157(14) 0.4081(8) 0.106(6) Uani 1 1 d . . . . .
C88 C 0.5984(18) 0.3795(16) 0.4356(9) 0.125(8) Uani 1 1 d . . . . .
C89 C 0.6252(13) 0.3111(14) 0.4360(8) 0.110(6) Uani 1 1 d . . . . .
C90 C 0.7689(17) 0.2243(16) 0.4009(11) 0.141(9) Uani 1 1 d . . . . .
H90A H 0.8093 0.2306 0.3654 0.212 Uiso 1 1 calc R U . . .
H90B H 0.7411 0.1888 0.4009 0.212 Uiso 1 1 calc R U . . .
H90C H 0.7943 0.2083 0.4302 0.212 Uiso 1 1 calc R U . . .
C91 C 0.8095(18) 0.3792(18) 0.3611(11) 0.146(10) Uani 1 1 d . . . . .
H91A H 0.8495 0.3352 0.3551 0.220 Uiso 1 1 calc R U . . .
H91B H 0.8213 0.4041 0.3846 0.220 Uiso 1 1 calc R U . . .
H91C H 0.8102 0.4094 0.3258 0.220 Uiso 1 1 calc R U . . .
C92 C 0.642(2) 0.4961(17) 0.3933(15) 0.164(11) Uani 1 1 d . . . . .
H92A H 0.5986 0.5177 0.4226 0.246 Uiso 1 1 calc R U . . .
H92B H 0.6288 0.5104 0.3588 0.246 Uiso 1 1 calc R U . . .
H92C H 0.6901 0.5120 0.3892 0.246 Uiso 1 1 calc R U . . .
C93 C 0.5069(19) 0.419(2) 0.4617(14) 0.179(15) Uani 1 1 d . . . . .
H93A H 0.4719 0.3975 0.4522 0.268 Uiso 1 1 calc R U . . .
H93B H 0.4994 0.4691 0.4469 0.268 Uiso 1 1 calc R U . . .
H93C H 0.4944 0.4126 0.5017 0.268 Uiso 1 1 calc R U . . .
C94 C 0.5718(19) 0.2522(18) 0.4656(14) 0.159(11) Uani 1 1 d . . . . .
H94A H 0.5434 0.2596 0.5036 0.238 Uiso 1 1 calc R U . . .
H94B H 0.6061 0.2047 0.4651 0.238 Uiso 1 1 calc R U . . .
H94C H 0.5338 0.2566 0.4459 0.238 Uiso 1 1 calc R U . . .
C95 C 0.8601(11) 0.0164(9) 0.2543(8) 0.088(4) Uani 1 1 d . . . . .
C96 C 0.7976(11) -0.0170(10) 0.2558(9) 0.097(5) Uani 1 1 d . . . . .
C97 C 0.8131(14) -0.0375(10) 0.2051(10) 0.104(6) Uani 1 1 d . . . . .
C98 C 0.8867(13) -0.0127(10) 0.1677(8) 0.102(6) Uani 1 1 d . . . . .
C99 C 0.9122(11) 0.0170(11) 0.2013(9) 0.100(5) Uani 1 1 d . . . . .
C100 C 0.8696(14) 0.0404(12) 0.3013(9) 0.113(6) Uani 1 1 d . . . . .
H10M H 0.8891 -0.0009 0.3255 0.170 Uiso 1 1 calc R U . . .
H10N H 0.8184 0.0664 0.3219 0.170 Uiso 1 1 calc R U . . .
H10O H 0.9074 0.0714 0.2873 0.170 Uiso 1 1 calc R U . . .
C101 C 0.7331(14) -0.0281(13) 0.3004(12) 0.131(8) Uani 1 1 d . . . . .
H10D H 0.6874 0.0102 0.2976 0.197 Uiso 1 1 calc R U . . .
H10E H 0.7450 -0.0291 0.3343 0.197 Uiso 1 1 calc R U . . .
H10F H 0.7212 -0.0734 0.3009 0.197 Uiso 1 1 calc R U . . .
C102 C 0.7671(16) -0.0674(13) 0.1854(10) 0.124(7) Uani 1 1 d . . . . .
H10J H 0.7739 -0.1183 0.1990 0.185 Uiso 1 1 calc R U . . .
H10K H 0.7847 -0.0600 0.1451 0.185 Uiso 1 1 calc R U . . .
H10L H 0.7112 -0.0444 0.1984 0.185 Uiso 1 1 calc R U . . .
C103 C 0.925(2) -0.024(2) 0.1155(16) 0.175(13) Uani 1 1 d . . . . .
H10G H 0.9808 -0.0445 0.1116 0.263 Uiso 1 1 calc R U . . .
H10H H 0.9198 0.0215 0.0909 0.263 Uiso 1 1 calc R U . . .
H10I H 0.9016 -0.0560 0.1058 0.263 Uiso 1 1 calc R U . . .
C104 C 0.9852(16) 0.0483(17) 0.1781(13) 0.152(11) Uani 1 1 d . . . . .
H10A H 0.9702 0.0987 0.1815 0.228 Uiso 1 1 calc R U . . .
H10B H 1.0093 0.0427 0.1393 0.228 Uiso 1 1 calc R U . . .
H10C H 1.0231 0.0238 0.1985 0.228 Uiso 1 1 calc R U . . .
C105 C 0.1898(11) 0.1304(9) 0.4059(6) 0.085(4) Uani 1 1 d . . . . .
H105 H 0.1803 0.1204 0.4445 0.102 Uiso 1 1 calc R U . . .
C106 C 0.2196(11) 0.0756(9) 0.3747(7) 0.083(4) Uani 1 1 d . . . . .
H106 H 0.2315 0.0285 0.3927 0.100 Uiso 1 1 calc R U . . .
C107 C 0.2165(11) 0.1537(9) 0.2981(7) 0.085(4) Uani 1 1 d . . . . .
H107 H 0.2241 0.1646 0.2597 0.102 Uiso 1 1 calc R U . . .
C108 C 0.1888(11) 0.2092(8) 0.3299(7) 0.090(5) Uani 1 1 d . . . . .
H108 H 0.1804 0.2570 0.3125 0.108 Uiso 1 1 calc R U . . .
C109 C 0.6450(10) 0.2310(9) 0.3043(7) 0.087(4) Uani 1 1 d . . . . .
H109 H 0.5925 0.2362 0.3282 0.104 Uiso 1 1 calc R U . . .
C110 C 0.6763(10) 0.1760(10) 0.2738(8) 0.091(5) Uani 1 1 d . . . . .
H110 H 0.6454 0.1426 0.2787 0.109 Uiso 1 1 calc R U . . .
C111 C 0.7890(9) 0.2138(9) 0.2356(6) 0.079(4) Uani 1 1 d . . . . .
H111 H 0.8418 0.2084 0.2122 0.095 Uiso 1 1 calc R U . . .
C112 C 0.7601(12) 0.2664(11) 0.2640(9) 0.101(5) Uani 1 1 d . . . . .
H112 H 0.7919 0.2992 0.2586 0.121 Uiso 1 1 calc R U . . .
C113 C 0.548(2) 0.072(2) 0.4285(11) 0.165(11) Uani 1 1 d D U . . .
C114 C 0.0190(19) 0.2824(15) 0.1629(13) 0.139(8) Uani 1 1 d D U . . .
C115 C 0.554(2) 0.8601(19) 0.1587(15) 0.206(16) Uani 1 1 d D U . . .
C116 C 0.2875(19) 0.5092(15) 0.4655(10) 0.131(9) Uani 1 1 d D . . . .
C119 C 0.737(4) 0.473(4) 0.916(2) 0.27(3) Uani 1 1 d D U . . .
O31 O 0.714(2) 0.472(2) 0.9734(17) 0.245(14) Uani 1 1 d D U . . .
C120 C 0.732(3) 0.256(2) 0.550(2) 0.214(17) Uani 1 1 d . U . . .
O32 O 0.8009(18) 0.2780(16) 0.5058(12) 0.199(10) Uani 1 1 d . . . . .
O33 O 0.6219(13) 0.3311(10) 0.0081(9) 0.157(7) Uani 1 1 d . . . . .
O34 O 0.134(3) 0.562(3) 0.060(2) 0.31(2) Uani 1 1 d . U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 C49 2.092(16) . ?
Rh1 C46 2.104(15) . ?
Rh1 N1 2.111(10) . ?
Rh1 C48 2.111(18) . ?
Rh1 O2 2.117(10) . ?
Rh1 C47 2.117(16) . ?
Rh1 C45 2.140(16) . ?
Rh1 O1 2.158(10) . ?
Rh2 C57 2.110(15) . ?
Rh2 N2 2.119(10) . ?
Rh2 O4 2.127(10) . ?
Rh2 C59 2.128(18) . ?
Rh2 C55 2.133(15) . ?
Rh2 O3 2.150(9) . ?
Rh2 C56 2.172(14) . ?
Rh2 C58 2.178(19) . ?
Rh3 C65 2.056(14) . ?
Rh3 O6 2.070(10) . ?
Rh3 C67 2.087(15) . ?
Rh3 O5 2.090(9) . ?
Rh3 C69 2.141(15) . ?
Rh3 C68 2.144(14) . ?
Rh3 N3 2.161(13) . ?
Rh3 C66 2.18(2) . ?
Rh4 C75 1.973(17) . ?
Rh4 O10 2.068(10) . ?
Rh4 O9 2.088(9) . ?
Rh4 C79 2.095(16) . ?
Rh4 C76 2.120(16) . ?
Rh4 N4 2.125(12) . ?
Rh4 C78 2.136(18) . ?
Rh4 C77 2.156(18) . ?
Rh5 C86 2.072(19) . ?
Rh5 C89 2.07(2) . ?
Rh5 O7 2.089(10) . ?
Rh5 O8 2.103(12) . ?
Rh5 C85 2.129(15) . ?
Rh5 C88 2.13(2) . ?
Rh5 C87 2.14(2) . ?
Rh5 N5 2.146(13) . ?
Rh6 O11 2.105(10) . ?
Rh6 O12 2.109(12) . ?
Rh6 C96 2.126(17) . ?
Rh6 N6 2.137(12) . ?
Rh6 C95 2.138(16) . ?
Rh6 C99 2.142(18) . ?
Rh6 C98 2.152(18) . ?
Rh6 C97 2.185(18) . ?
Cl1 C3 1.748(13) . ?
Cl2 C6 1.745(15) . ?
N1 C11 1.30(2) . ?
N1 C7 1.354(19) . ?
N2 C26 1.289(17) . ?
N2 C30 1.319(19) . ?
N3 C108 1.28(2) . ?
N3 C105 1.31(2) . ?
N4 C107 1.32(2) . ?
N4 C106 1.33(2) . ?
N5 C109 1.32(2) . ?
N5 C112 1.34(2) . ?
N6 C110 1.32(2) . ?
N6 C111 1.32(2) . ?
O1 C1 1.273(17) . ?
O2 C2 1.248(17) . ?
O3 C4 1.268(16) . ?
O4 C5 1.245(17) . ?
O5 C12 1.258(17) . ?
O6 C14 1.224(18) . ?
O7 C19 1.266(17) . ?
O8 C21 1.200(19) . ?
O9 C31 1.278(17) . ?
O10 C33 1.228(18) . ?
O11 C38 1.258(18) . ?
O12 C40 1.21(2) . ?
O13 S1 1.46(2) . ?
O14 S1 1.43(2) . ?
O15 S1 1.41(2) . ?
O16 S2 1.378(15) . ?
O17 S2 1.30(3) . ?
O18 S2 1.36(2) . ?
O19 S3 1.38(3) . ?
O20 S3 1.45(4) . ?
O21 S3 1.44(3) . ?
O22 S4 1.43(3) . ?
O23 S4 1.40(3) . ?
O24 S4 1.41(4) . ?
S1 C113 1.813(18) . ?
S2 C114 1.79(3) . ?
S3 C115 1.62(4) . ?
S4 C116 1.69(3) . ?
F1 C113 1.33(4) . ?
F2 C113 1.331(18) . ?
F3 C113 1.37(4) . ?
F4 C114 1.307(18) . ?
F5 C114 1.27(4) . ?
F6 C114 1.40(3) . ?
F7 C115 1.351(19) . ?
F8 C115 1.348(19) . ?
F9 C115 1.342(19) . ?
F10 C116 1.37(3) . ?
F11 C116 1.42(4) . ?
F12 C116 1.316(17) . ?
C1 C6 1.41(2) . ?
C1 C2 1.46(3) . ?
C2 C3 1.41(2) . ?
C3 C4 1.348(19) . ?
C4 C5 1.541(19) . ?
C5 C6 1.39(2) . ?
C7 C8 1.40(2) . ?
C8 C9 1.36(2) . ?
C8 C12 1.476(19) . ?
C9 C10 1.41(2) . ?
C10 C11 1.39(2) . ?
C10 C19 1.50(2) . ?
C12 C13 1.42(2) . ?
C13 C14 1.44(2) . ?
C14 C15 1.56(2) . ?
C15 C18 1.43(3) . ?
C15 C16 1.44(4) . ?
C15 C17 1.62(4) . ?
C19 C20 1.37(2) . ?
C20 C21 1.45(2) . ?
C21 C22 1.51(2) . ?
C22 C24 1.506(17) . ?
C22 C25 1.519(17) . ?
C22 C23 1.537(18) . ?
C26 C27 1.42(2) . ?
C27 C28 1.37(2) . ?
C27 C31 1.51(2) . ?
C28 C29 1.39(2) . ?
C29 C30 1.33(2) . ?
C29 C38 1.54(2) . ?
C31 C32 1.40(2) . ?
C32 C33 1.38(2) . ?
C33 C34 1.60(2) . ?
C34 C37 1.52(3) . ?
C34 C35 1.53(3) . ?
C34 C36 1.53(3) . ?
C38 C39 1.38(2) . ?
C39 C40 1.36(3) . ?
C40 C41 1.51(3) . ?
C41 C42 1.500(17) . ?
C41 C43 1.531(18) . ?
C41 C44 1.532(18) . ?
C45 C46 1.37(2) . ?
C45 C49 1.40(3) . ?
C45 C50 1.47(3) . ?
C46 C47 1.48(3) . ?
C46 C51 1.57(3) . ?
C47 C48 1.37(3) . ?
C47 C52 1.48(3) . ?
C48 C49 1.40(3) . ?
C48 C53 1.64(4) . ?
C49 C54 1.54(3) . ?
C55 C56 1.38(3) . ?
C55 C59 1.46(3) . ?
C55 C60 1.58(3) . ?
C56 C57 1.428(16) . ?
C56 C61 1.52(3) . ?
C57 C58 1.38(3) . ?
C57 C62 1.463(17) . ?
C58 C63 1.44(3) . ?
C58 C59 1.49(3) . ?
C59 C64 1.53(3) . ?
C65 C66 1.35(3) . ?
C65 C69 1.42(2) . ?
C65 C70 1.61(3) . ?
C66 C67 1.432(18) . ?
C66 C71 1.49(3) . ?
C67 C68 1.40(3) . ?
C67 C72 1.52(3) . ?
C68 C69 1.40(2) . ?
C68 C73 1.49(2) . ?
C69 C74 1.55(2) . ?
C75 C76 1.34(2) . ?
C75 C79 1.43(2) . ?
C75 C80 1.469(16) . ?
C76 C77 1.39(3) . ?
C76 C81 1.52(3) . ?
C77 C82 1.50(3) . ?
C77 C78 1.51(3) . ?
C78 C79 1.46(3) . ?
C78 C83 1.51(4) . ?
C79 C84 1.53(3) . ?
C85 C86 1.41(3) . ?
C85 C89 1.43(3) . ?
C85 C90 1.56(3) . ?
C86 C87 1.48(3) . ?
C86 C91 1.50(3) . ?
C87 C88 1.37(3) . ?
C87 C92 1.53(4) . ?
C88 C89 1.31(3) . ?
C88 C93 1.63(4) . ?
C89 C94 1.63(4) . ?
C95 C99 1.39(3) . ?
C95 C96 1.47(3) . ?
C95 C100 1.50(3) . ?
C96 C101 1.38(3) . ?
C96 C97 1.39(3) . ?
C97 C102 1.44(3) . ?
C97 C98 1.51(3) . ?
C98 C103 1.35(4) . ?
C98 C99 1.42(3) . ?
C99 C104 1.52(3) . ?
C105 C106 1.39(2) . ?
C107 C108 1.41(2) . ?
C109 C110 1.38(3) . ?
C111 C112 1.31(3) . ?
C119 O31 1.42(2) . ?
C120 O32 1.49(5) . ?

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
C49 Rh1 C46 64.8(8) . . ?
C49 Rh1 N1 109.2(6) . . ?
C46 Rh1 N1 117.7(6) . . ?
C49 Rh1 C48 39.0(8) . . ?
C46 Rh1 C48 65.2(8) . . ?
N1 Rh1 C48 146.5(7) . . ?
C49 Rh1 O2 111.4(7) . . ?
C46 Rh1 O2 157.6(6) . . ?
N1 Rh1 O2 84.6(4) . . ?
C48 Rh1 O2 97.4(7) . . ?
C49 Rh1 C47 65.1(8) . . ?
C46 Rh1 C47 41.1(7) . . ?
N1 Rh1 C47 158.8(6) . . ?
C48 Rh1 C47 37.7(8) . . ?
O2 Rh1 C47 116.5(6) . . ?
C49 Rh1 C45 38.7(8) . . ?
C46 Rh1 C45 37.6(7) . . ?
N1 Rh1 C45 96.9(6) . . ?
C48 Rh1 C45 64.6(8) . . ?
O2 Rh1 C45 148.8(6) . . ?
C47 Rh1 C45 65.5(7) . . ?
C49 Rh1 O1 163.3(6) . . ?
C46 Rh1 O1 101.8(5) . . ?
N1 Rh1 O1 85.5(4) . . ?
C48 Rh1 O1 127.7(7) . . ?
O2 Rh1 O1 77.0(4) . . ?
C47 Rh1 O1 98.3(6) . . ?
C45 Rh1 O1 134.2(6) . . ?
C57 Rh2 N2 107.1(5) . . ?
C57 Rh2 O4 112.6(5) . . ?
N2 Rh2 O4 88.6(4) . . ?
C57 Rh2 C59 65.6(7) . . ?
N2 Rh2 C59 119.3(6) . . ?
O4 Rh2 C59 151.8(6) . . ?
C57 Rh2 C55 64.8(7) . . ?
N2 Rh2 C55 159.2(6) . . ?
O4 Rh2 C55 112.2(6) . . ?
C59 Rh2 C55 40.1(8) . . ?
C57 Rh2 O3 163.2(6) . . ?
N2 Rh2 O3 86.6(4) . . ?
O4 Rh2 O3 76.5(4) . . ?
C59 Rh2 O3 99.5(6) . . ?
C55 Rh2 O3 99.0(6) . . ?
C57 Rh2 C56 38.9(4) . . ?
N2 Rh2 C56 144.1(5) . . ?
O4 Rh2 C56 95.5(5) . . ?
C59 Rh2 C56 64.9(7) . . ?
C55 Rh2 C56 37.3(7) . . ?
O3 Rh2 C56 129.0(5) . . ?
C57 Rh2 C58 37.5(7) . . ?
N2 Rh2 C58 95.6(7) . . ?
O4 Rh2 C58 149.4(7) . . ?
C59 Rh2 C58 40.5(9) . . ?
C55 Rh2 C58 66.0(9) . . ?
O3 Rh2 C58 133.9(7) . . ?
C56 Rh2 C58 64.1(7) . . ?
C65 Rh3 O6 132.8(5) . . ?
C65 Rh3 C67 62.6(7) . . ?
O6 Rh3 C67 97.3(6) . . ?
C65 Rh3 O5 138.9(5) . . ?
O6 Rh3 O5 88.3(4) . . ?
C67 Rh3 O5 121.4(6) . . ?
C65 Rh3 C69 39.4(6) . . ?
O6 Rh3 C69 161.9(5) . . ?
C67 Rh3 C69 64.6(7) . . ?
O5 Rh3 C69 101.8(5) . . ?
C65 Rh3 C68 63.5(6) . . ?
O6 Rh3 C68 127.0(5) . . ?
C67 Rh3 C68 38.6(7) . . ?
O5 Rh3 C68 94.5(5) . . ?
C69 Rh3 C68 38.2(6) . . ?
C65 Rh3 N3 95.9(5) . . ?
O6 Rh3 N3 86.2(4) . . ?
C67 Rh3 N3 153.5(7) . . ?
O5 Rh3 N3 84.8(4) . . ?
C69 Rh3 N3 109.4(6) . . ?
C68 Rh3 N3 146.8(6) . . ?
C65 Rh3 C66 36.9(7) . . ?
O6 Rh3 C66 100.1(6) . . ?
C67 Rh3 C66 39.2(5) . . ?
O5 Rh3 C66 159.3(7) . . ?
C69 Rh3 C66 65.7(6) . . ?
C68 Rh3 C66 65.4(7) . . ?
N3 Rh3 C66 114.4(7) . . ?
C75 Rh4 O10 137.5(5) . . ?
C75 Rh4 O9 133.5(5) . . ?
O10 Rh4 O9 88.8(4) . . ?
C75 Rh4 C79 41.1(6) . . ?
O10 Rh4 C79 101.0(6) . . ?
O9 Rh4 C79 160.4(8) . . ?
C75 Rh4 C76 38.1(6) . . ?
O10 Rh4 C76 161.0(6) . . ?
O9 Rh4 C76 100.4(5) . . ?
C79 Rh4 C76 65.6(7) . . ?
C75 Rh4 N4 93.2(5) . . ?
O10 Rh4 N4 85.6(5) . . ?
O9 Rh4 N4 84.5(4) . . ?
C79 Rh4 N4 112.9(8) . . ?
C76 Rh4 N4 111.7(6) . . ?
C75 Rh4 C78 69.2(7) . . ?
O10 Rh4 C78 93.5(7) . . ?
O9 Rh4 C78 122.8(7) . . ?
C79 Rh4 C78 40.5(9) . . ?
C76 Rh4 C78 67.5(8) . . ?
N4 Rh4 C78 152.7(7) . . ?
C75 Rh4 C77 65.0(6) . . ?
O10 Rh4 C77 125.5(6) . . ?
O9 Rh4 C77 94.7(6) . . ?
C79 Rh4 C77 65.8(9) . . ?
C76 Rh4 C77 37.8(7) . . ?
N4 Rh4 C77 148.9(7) . . ?
C78 Rh4 C77 41.1(8) . . ?
C86 Rh5 C89 66.4(9) . . ?
C86 Rh5 O7 159.2(7) . . ?
C89 Rh5 O7 103.0(7) . . ?
C86 Rh5 O8 97.1(6) . . ?
C89 Rh5 O8 160.2(8) . . ?
O7 Rh5 O8 88.8(4) . . ?
C86 Rh5 C85 39.1(7) . . ?
C89 Rh5 C85 39.7(8) . . ?
O7 Rh5 C85 139.9(6) . . ?
O8 Rh5 C85 131.2(6) . . ?
C86 Rh5 C88 65.6(10) . . ?
C89 Rh5 C88 36.3(9) . . ?
O7 Rh5 C88 95.0(9) . . ?
O8 Rh5 C88 127.9(9) . . ?
C85 Rh5 C88 63.6(10) . . ?
C86 Rh5 C87 41.0(9) . . ?
C89 Rh5 C87 63.2(10) . . ?
O7 Rh5 C87 118.5(7) . . ?
O8 Rh5 C87 97.2(7) . . ?
C85 Rh5 C87 65.1(8) . . ?
C88 Rh5 C87 37.2(9) . . ?
C86 Rh5 N5 114.1(8) . . ?
C89 Rh5 N5 112.5(8) . . ?
O7 Rh5 N5 86.3(5) . . ?
O8 Rh5 N5 83.8(5) . . ?
C85 Rh5 N5 95.5(6) . . ?
C88 Rh5 N5 148.2(9) . . ?
C87 Rh5 N5 155.1(7) . . ?
O11 Rh6 O12 87.8(4) . . ?
O11 Rh6 C96 103.2(6) . . ?
O12 Rh6 C96 162.4(7) . . ?
O11 Rh6 N6 84.7(5) . . ?
O12 Rh6 N6 84.1(5) . . ?
C96 Rh6 N6 110.4(7) . . ?
O11 Rh6 C95 141.2(6) . . ?
O12 Rh6 C95 130.9(6) . . ?
C96 Rh6 C95 40.2(7) . . ?
N6 Rh6 C95 96.4(6) . . ?
O11 Rh6 C99 156.3(7) . . ?
O12 Rh6 C99 99.7(6) . . ?
C96 Rh6 C99 64.9(7) . . ?
N6 Rh6 C99 118.3(7) . . ?
C95 Rh6 C99 38.0(8) . . ?
O11 Rh6 C98 118.5(8) . . ?
O12 Rh6 C98 96.6(6) . . ?
C96 Rh6 C98 66.1(8) . . ?
N6 Rh6 C98 156.8(8) . . ?
C95 Rh6 C98 65.6(8) . . ?
C99 Rh6 C98 38.6(9) . . ?
O11 Rh6 C97 92.6(7) . . ?
O12 Rh6 C97 129.5(7) . . ?
C96 Rh6 C97 37.7(8) . . ?
N6 Rh6 C97 146.3(7) . . ?
C95 Rh6 C97 65.4(7) . . ?
C99 Rh6 C97 65.2(8) . . ?
C98 Rh6 C97 40.8(8) . . ?
C11 N1 C7 118.2(12) . . ?
C11 N1 Rh1 121.8(10) . . ?
C7 N1 Rh1 119.4(10) . . ?
C26 N2 C30 118.2(11) . . ?
C26 N2 Rh2 119.3(9) . . ?
C30 N2 Rh2 122.5(9) . . ?
C108 N3 C105 120.0(14) . . ?
C108 N3 Rh3 119.0(10) . . ?
C105 N3 Rh3 120.4(11) . . ?
C107 N4 C106 115.9(13) . . ?
C107 N4 Rh4 121.5(10) . . ?
C106 N4 Rh4 122.3(10) . . ?
C109 N5 C112 115.4(16) . . ?
C109 N5 Rh5 121.5(12) . . ?
C112 N5 Rh5 123.0(13) . . ?
C110 N6 C111 115.8(14) . . ?
C110 N6 Rh6 121.2(11) . . ?
C111 N6 Rh6 122.3(11) . . ?
C1 O1 Rh1 111.4(11) . . ?
C2 O2 Rh1 115.0(11) . . ?
C4 O3 Rh2 115.4(9) . . ?
C5 O4 Rh2 115.7(9) . . ?
C12 O5 Rh3 124.6(8) . . ?
C14 O6 Rh3 129.6(9) . . ?
C19 O7 Rh5 124.2(10) . . ?
C21 O8 Rh5 128.5(10) . . ?
C31 O9 Rh4 124.6(8) . . ?
C33 O10 Rh4 126.1(9) . . ?
C38 O11 Rh6 123.6(10) . . ?
C40 O12 Rh6 126.4(11) . . ?
O15 S1 O14 116.3(15) . . ?
O15 S1 O13 115.6(15) . . ?
O14 S1 O13 114.2(12) . . ?
O15 S1 C113 104.1(19) . . ?
O14 S1 C113 100.5(15) . . ?
O13 S1 C113 103.2(18) . . ?
O17 S2 O18 108.5(19) . . ?
O17 S2 O16 118.0(14) . . ?
O18 S2 O16 115.8(12) . . ?
O17 S2 C114 106.5(19) . . ?
O18 S2 C114 102.6(15) . . ?
O16 S2 C114 103.8(12) . . ?
O19 S3 O21 106.8(17) . . ?
O19 S3 O20 120(3) . . ?
O21 S3 O20 110(2) . . ?
O19 S3 C115 99(2) . . ?
O21 S3 C115 107.2(18) . . ?
O20 S3 C115 112(2) . . ?
O23 S4 O24 100(2) . . ?
O23 S4 O22 107.5(18) . . ?
O24 S4 O22 130(2) . . ?
O23 S4 C116 108.9(17) . . ?
O24 S4 C116 95(2) . . ?
O22 S4 C116 112.3(15) . . ?
O1 C1 C6 118.4(16) . . ?
O1 C1 C2 119.5(15) . . ?
C6 C1 C2 122.1(13) . . ?
O2 C2 C3 125.3(16) . . ?
O2 C2 C1 117.1(15) . . ?
C3 C2 C1 117.5(13) . . ?
C4 C3 C2 122.3(13) . . ?
C4 C3 Cl1 118.8(11) . . ?
C2 C3 Cl1 118.8(11) . . ?
O3 C4 C3 124.6(13) . . ?
O3 C4 C5 115.0(12) . . ?
C3 C4 C5 120.4(12) . . ?
O4 C5 C6 125.1(13) . . ?
O4 C5 C4 117.3(13) . . ?
C6 C5 C4 117.6(13) . . ?
C5 C6 C1 120.0(14) . . ?
C5 C6 Cl2 119.2(11) . . ?
C1 C6 Cl2 120.7(12) . . ?
N1 C7 C8 123.0(14) . . ?
C9 C8 C7 116.6(13) . . ?
C9 C8 C12 127.2(13) . . ?
C7 C8 C12 116.3(12) . . ?
C8 C9 C10 121.5(14) . . ?
C11 C10 C9 116.2(14) . . ?
C11 C10 C19 125.5(13) . . ?
C9 C10 C19 118.2(13) . . ?
N1 C11 C10 124.4(14) . . ?
O5 C12 C13 128.1(12) . . ?
O5 C12 C8 115.2(12) . . ?
C13 C12 C8 116.7(13) . . ?
C12 C13 C14 124.6(14) . . ?
O6 C14 C13 124.2(14) . . ?
O6 C14 C15 116.3(13) . . ?
C13 C14 C15 119.2(15) . . ?
C18 C15 C16 114(2) . . ?
C18 C15 C14 113.7(17) . . ?
C16 C15 C14 108(2) . . ?
C18 C15 C17 105(2) . . ?
C16 C15 C17 112(3) . . ?
C14 C15 C17 104.5(19) . . ?
O7 C19 C20 126.3(15) . . ?
O7 C19 C10 113.2(13) . . ?
C20 C19 C10 120.6(13) . . ?
C19 C20 C21 129.0(16) . . ?
O8 C21 C20 122.6(15) . . ?
O8 C21 C22 117.9(15) . . ?
C20 C21 C22 119.5(15) . . ?
C24 C22 C21 113.7(18) . . ?
C24 C22 C25 112.5(18) . . ?
C21 C22 C25 105.8(19) . . ?
C24 C22 C23 107.9(18) . . ?
C21 C22 C23 105.3(16) . . ?
C25 C22 C23 111.5(18) . . ?
N2 C26 C27 123.5(13) . . ?
C28 C27 C26 115.8(13) . . ?
C28 C27 C31 125.0(13) . . ?
C26 C27 C31 119.2(14) . . ?
C27 C28 C29 120.0(14) . . ?
C30 C29 C28 117.9(14) . . ?
C30 C29 C38 125.0(14) . . ?
C28 C29 C38 117.1(13) . . ?
N2 C30 C29 124.4(14) . . ?
O9 C31 C32 126.3(13) . . ?
O9 C31 C27 113.2(11) . . ?
C32 C31 C27 120.5(14) . . ?
C33 C32 C31 125.6(15) . . ?
O10 C33 C32 127.8(14) . . ?
O10 C33 C34 113.7(13) . . ?
C32 C33 C34 118.4(14) . . ?
C37 C34 C35 107(2) . . ?
C37 C34 C36 109.1(19) . . ?
C35 C34 C36 112.9(17) . . ?
C37 C34 C33 105.8(16) . . ?
C35 C34 C33 112.3(14) . . ?
C36 C34 C33 109.1(16) . . ?
O11 C38 C39 127.5(15) . . ?
O11 C38 C29 111.4(13) . . ?
C39 C38 C29 120.9(14) . . ?
C40 C39 C38 127.2(16) . . ?
O12 C40 C39 126.7(16) . . ?
O12 C40 C41 111.3(15) . . ?
C39 C40 C41 121.9(16) . . ?
C42 C41 C40 115(2) . . ?
C42 C41 C43 113.7(18) . . ?
C40 C41 C43 107(2) . . ?
C42 C41 C44 113(2) . . ?
C40 C41 C44 103(2) . . ?
C43 C41 C44 103.4(18) . . ?
C46 C45 C49 108.4(16) . . ?
C46 C45 C50 125(2) . . ?
C49 C45 C50 126.5(18) . . ?
C46 C45 Rh1 69.8(9) . . ?
C49 C45 Rh1 68.8(9) . . ?
C50 C45 Rh1 124.6(13) . . ?
C45 C46 C47 107.8(17) . . ?
C45 C46 C51 131.1(18) . . ?
C47 C46 C51 121.1(17) . . ?
C45 C46 Rh1 72.6(9) . . ?
C47 C46 Rh1 69.9(9) . . ?
C51 C46 Rh1 122.2(12) . . ?
C48 C47 C46 105.8(17) . . ?
C48 C47 C52 128(2) . . ?
C46 C47 C52 126(2) . . ?
C48 C47 Rh1 70.9(10) . . ?
C46 C47 Rh1 69.0(8) . . ?
C52 C47 Rh1 125.1(15) . . ?
C47 C48 C49 109.7(19) . . ?
C47 C48 C53 128(2) . . ?
C49 C48 C53 122(2) . . ?
C47 C48 Rh1 71.4(10) . . ?
C49 C48 Rh1 69.8(10) . . ?
C53 C48 Rh1 123.7(16) . . ?
C45 C49 C48 108.1(18) . . ?
C45 C49 C54 125.2(19) . . ?
C48 C49 C54 126(2) . . ?
C45 C49 Rh1 72.5(10) . . ?
C48 C49 Rh1 71.2(10) . . ?
C54 C49 Rh1 128.2(13) . . ?
C56 C55 C59 108.8(17) . . ?
C56 C55 C60 128.8(19) . . ?
C59 C55 C60 122(2) . . ?
C56 C55 Rh2 72.9(9) . . ?
C59 C55 Rh2 69.8(9) . . ?
C60 C55 Rh2 125.3(14) . . ?
C55 C56 C57 108.3(16) . . ?
C55 C56 C61 123.3(16) . . ?
C57 C56 C61 127.6(16) . . ?
C55 C56 Rh2 69.9(9) . . ?
C57 C56 Rh2 68.2(8) . . ?
C61 C56 Rh2 119.7(12) . . ?
C58 C57 C56 110.6(18) . . ?
C58 C57 C62 124.7(19) . . ?
C56 C57 C62 124.1(16) . . ?
C58 C57 Rh2 73.9(11) . . ?
C56 C57 Rh2 72.9(9) . . ?
C62 C57 Rh2 127.1(14) . . ?
C57 C58 C63 128(3) . . ?
C57 C58 C59 106.3(17) . . ?
C63 C58 C59 126(2) . . ?
C57 C58 Rh2 68.6(10) . . ?
C63 C58 Rh2 127.8(16) . . ?
C59 C58 Rh2 68.0(10) . . ?
C55 C59 C58 105.6(17) . . ?
C55 C59 C64 124.2(19) . . ?
C58 C59 C64 130.1(18) . . ?
C55 C59 Rh2 70.1(9) . . ?
C58 C59 Rh2 71.6(11) . . ?
C64 C59 Rh2 126.4(13) . . ?
C66 C65 C69 116.0(15) . . ?
C66 C65 C70 122.5(18) . . ?
C69 C65 C70 121.2(16) . . ?
C66 C65 Rh3 76.5(11) . . ?
C69 C65 Rh3 73.5(9) . . ?
C70 C65 Rh3 124.2(12) . . ?
C65 C66 C67 101.6(16) . . ?
C65 C66 C71 129(2) . . ?
C67 C66 C71 129(2) . . ?
C65 C66 Rh3 66.6(10) . . ?
C67 C66 Rh3 67.0(9) . . ?
C71 C66 Rh3 125.0(15) . . ?
C68 C67 C66 111.1(16) . . ?
C68 C67 C72 122(2) . . ?
C66 C67 C72 126(2) . . ?
C68 C67 Rh3 72.9(9) . . ?
C66 C67 Rh3 73.9(11) . . ?
C72 C67 Rh3 122.6(16) . . ?
C67 C68 C69 107.7(14) . . ?
C67 C68 C73 129.8(16) . . ?
C69 C68 C73 121.6(16) . . ?
C67 C68 Rh3 68.5(9) . . ?
C69 C68 Rh3 70.8(8) . . ?
C73 C68 Rh3 118.0(11) . . ?
C68 C69 C65 103.3(13) . . ?
C68 C69 C74 126.4(16) . . ?
C65 C69 C74 130.4(16) . . ?
C68 C69 Rh3 71.0(9) . . ?
C65 C69 Rh3 67.1(8) . . ?
C74 C69 Rh3 124.5(12) . . ?
C76 C75 C79 110.6(16) . . ?
C76 C75 C80 125.5(15) . . ?
C79 C75 C80 119.4(15) . . ?
C76 C75 Rh4 76.9(10) . . ?
C79 C75 Rh4 74.0(10) . . ?
C80 C75 Rh4 135.6(12) . . ?
C75 C76 C77 109.2(15) . . ?
C75 C76 C81 126.2(19) . . ?
C77 C76 C81 124.6(18) . . ?
C75 C76 Rh4 65.0(9) . . ?
C77 C76 Rh4 72.5(11) . . ?
C81 C76 Rh4 126.6(13) . . ?
C76 C77 C82 129(2) . . ?
C76 C77 C78 109.6(16) . . ?
C82 C77 C78 121.1(19) . . ?
C76 C77 Rh4 69.7(10) . . ?
C82 C77 Rh4 121.1(13) . . ?
C78 C77 Rh4 68.8(10) . . ?
C79 C78 C77 102.1(15) . . ?
C79 C78 C83 129(2) . . ?
C77 C78 C83 129(2) . . ?
C79 C78 Rh4 68.2(10) . . ?
C77 C78 Rh4 70.2(10) . . ?
C83 C78 Rh4 126.4(19) . . ?
C75 C79 C78 107.6(16) . . ?
C75 C79 C84 132(2) . . ?
C78 C79 C84 119.8(19) . . ?
C75 C79 Rh4 64.9(9) . . ?
C78 C79 Rh4 71.3(10) . . ?
C84 C79 Rh4 124.1(16) . . ?
C86 C85 C89 106.2(18) . . ?
C86 C85 C90 123(2) . . ?
C89 C85 C90 131(2) . . ?
C86 C85 Rh5 68.2(10) . . ?
C89 C85 Rh5 68.0(10) . . ?
C90 C85 Rh5 122.7(13) . . ?
C85 C86 C87 105.5(18) . . ?
C85 C86 C91 130(2) . . ?
C87 C86 C91 124(2) . . ?
C85 C86 Rh5 72.6(10) . . ?
C87 C86 Rh5 72.1(10) . . ?
C91 C86 Rh5 129.8(17) . . ?
C88 C87 C86 106(2) . . ?
C88 C87 C92 124(3) . . ?
C86 C87 C92 129(2) . . ?
C88 C87 Rh5 70.9(13) . . ?
C86 C87 Rh5 66.9(11) . . ?
C92 C87 Rh5 118.8(17) . . ?
C89 C88 C87 111(3) . . ?
C89 C88 C93 126(3) . . ?
C87 C88 C93 123(3) . . ?
C89 C88 Rh5 69.3(13) . . ?
C87 C88 Rh5 71.8(12) . . ?
C93 C88 Rh5 123.9(19) . . ?
C88 C89 C85 110(2) . . ?
C88 C89 C94 125(2) . . ?
C85 C89 C94 125(2) . . ?
C88 C89 Rh5 74.3(14) . . ?
C85 C89 Rh5 72.2(11) . . ?
C94 C89 Rh5 124.1(18) . . ?
C99 C95 C96 106.6(17) . . ?
C99 C95 C100 126.5(19) . . ?
C96 C95 C100 126.8(19) . . ?
C99 C95 Rh6 71.2(10) . . ?
C96 C95 Rh6 69.4(9) . . ?
C100 C95 Rh6 127.5(13) . . ?
C101 C96 C97 124(2) . . ?
C101 C96 C95 126(2) . . ?
C97 C96 C95 109.6(18) . . ?
C101 C96 Rh6 123.4(14) . . ?
C97 C96 Rh6 73.4(11) . . ?
C95 C96 Rh6 70.3(9) . . ?
C96 C97 C102 130(2) . . ?
C96 C97 C98 106.8(18) . . ?
C102 C97 C98 122(2) . . ?
C96 C97 Rh6 68.9(11) . . ?
C102 C97 Rh6 121.3(16) . . ?
C98 C97 Rh6 68.4(10) . . ?
C103 C98 C99 127(2) . . ?
C103 C98 C97 127(3) . . ?
C99 C98 C97 105.3(17) . . ?
C103 C98 Rh6 129(2) . . ?
C99 C98 Rh6 70.3(11) . . ?
C97 C98 Rh6 70.8(10) . . ?
C95 C99 C98 111.5(17) . . ?
C95 C99 C104 127(2) . . ?
C98 C99 C104 121(2) . . ?
C95 C99 Rh6 70.9(10) . . ?
C98 C99 Rh6 71.1(11) . . ?
C104 C99 Rh6 122.5(16) . . ?
N3 C105 C106 119.9(14) . . ?
N4 C106 C105 122.3(14) . . ?
N4 C107 C108 121.3(15) . . ?
N3 C108 C107 120.5(15) . . ?
N5 C109 C110 120.4(16) . . ?
N6 C110 C109 122.5(16) . . ?
C112 C111 N6 122.4(15) . . ?
C111 C112 N5 123.4(17) . . ?
F1 C113 F2 109(3) . . ?
F1 C113 F3 112(3) . . ?
F2 C113 F3 104(3) . . ?
F1 C113 S1 110(2) . . ?
F2 C113 S1 111.6(19) . . ?
F3 C113 S1 110(2) . . ?
F5 C114 F4 102(3) . . ?
F5 C114 F6 110(3) . . ?
F4 C114 F6 102(3) . . ?
F5 C114 S2 119(3) . . ?
F4 C114 S2 113(2) . . ?
F6 C114 S2 109(2) . . ?
F9 C115 F8 86(3) . . ?
F9 C115 F7 85(3) . . ?
F8 C115 F7 105(3) . . ?
F9 C115 S3 118(3) . . ?
F8 C115 S3 124(3) . . ?
F7 C115 S3 125(3) . . ?
F12 C116 F10 104(3) . . ?
F12 C116 F11 104(2) . . ?
F10 C116 F11 103(3) . . ?
F12 C116 S4 124(2) . . ?
F10 C116 S4 109.8(18) . . ?
F11 C116 S4 111(2) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rh1 O1 C1 C6 -179.6(11) . . . . ?
Rh1 O1 C1 C2 -0.3(16) . . . . ?
Rh1 O2 C2 C3 177.4(10) . . . . ?
Rh1 O2 C2 C1 -2.8(16) . . . . ?
O1 C1 C2 O2 2(2) . . . . ?
C6 C1 C2 O2 -178.5(14) . . . . ?
O1 C1 C2 C3 -178.0(12) . . . . ?
C6 C1 C2 C3 1(2) . . . . ?
O2 C2 C3 C4 177.2(13) . . . . ?
C1 C2 C3 C4 -3(2) . . . . ?
O2 C2 C3 Cl1 -0.6(19) . . . . ?
C1 C2 C3 Cl1 179.6(10) . . . . ?
Rh2 O3 C4 C3 177.8(10) . . . . ?
Rh2 O3 C4 C5 -2.0(14) . . . . ?
C2 C3 C4 O3 -177.6(12) . . . . ?
Cl1 C3 C4 O3 0.2(19) . . . . ?
C2 C3 C4 C5 2(2) . . . . ?
Cl1 C3 C4 C5 180.0(10) . . . . ?
Rh2 O4 C5 C6 -176.9(12) . . . . ?
Rh2 O4 C5 C4 3.7(16) . . . . ?
O3 C4 C5 O4 -1.2(18) . . . . ?
C3 C4 C5 O4 179.0(13) . . . . ?
O3 C4 C5 C6 179.4(13) . . . . ?
C3 C4 C5 C6 0(2) . . . . ?
O4 C5 C6 C1 179.8(15) . . . . ?
C4 C5 C6 C1 -1(2) . . . . ?
O4 C5 C6 Cl2 3(2) . . . . ?
C4 C5 C6 Cl2 -177.8(11) . . . . ?
O1 C1 C6 C5 179.7(14) . . . . ?
C2 C1 C6 C5 0(2) . . . . ?
O1 C1 C6 Cl2 -3(2) . . . . ?
C2 C1 C6 Cl2 177.3(12) . . . . ?
C11 N1 C7 C8 1(2) . . . . ?
Rh1 N1 C7 C8 173.0(12) . . . . ?
N1 C7 C8 C9 -1(2) . . . . ?
N1 C7 C8 C12 -179.7(14) . . . . ?
C7 C8 C9 C10 -2(2) . . . . ?
C12 C8 C9 C10 177.3(14) . . . . ?
C8 C9 C10 C11 4(2) . . . . ?
C8 C9 C10 C19 -178.7(14) . . . . ?
C7 N1 C11 C10 1(2) . . . . ?
Rh1 N1 C11 C10 -170.6(12) . . . . ?
C9 C10 C11 N1 -4(2) . . . . ?
C19 C10 C11 N1 178.9(15) . . . . ?
Rh3 O5 C12 C13 6(2) . . . . ?
Rh3 O5 C12 C8 -171.9(9) . . . . ?
C9 C8 C12 O5 -160.3(14) . . . . ?
C7 C8 C12 O5 18.6(19) . . . . ?
C9 C8 C12 C13 22(2) . . . . ?
C7 C8 C12 C13 -159.5(14) . . . . ?
O5 C12 C13 C14 2(3) . . . . ?
C8 C12 C13 C14 179.6(14) . . . . ?
Rh3 O6 C14 C13 -1(2) . . . . ?
Rh3 O6 C14 C15 173.0(11) . . . . ?
C12 C13 C14 O6 -5(3) . . . . ?
C12 C13 C14 C15 -178.4(16) . . . . ?
O6 C14 C15 C18 -177.9(19) . . . . ?
C13 C14 C15 C18 -4(3) . . . . ?
O6 C14 C15 C16 55(2) . . . . ?
C13 C14 C15 C16 -130(2) . . . . ?
O6 C14 C15 C17 -64(3) . . . . ?
C13 C14 C15 C17 110(3) . . . . ?
Rh5 O7 C19 C20 9(2) . . . . ?
Rh5 O7 C19 C10 -170.5(9) . . . . ?
C11 C10 C19 O7 169.4(15) . . . . ?
C9 C10 C19 O7 -8(2) . . . . ?
C11 C10 C19 C20 -10(2) . . . . ?
C9 C10 C19 C20 172.0(16) . . . . ?
O7 C19 C20 C21 -3(3) . . . . ?
C10 C19 C20 C21 176.6(18) . . . . ?
Rh5 O8 C21 C20 -3(3) . . . . ?
Rh5 O8 C21 C22 178.8(13) . . . . ?
C19 C20 C21 O8 -1(3) . . . . ?
C19 C20 C21 C22 177.9(19) . . . . ?
O8 C21 C22 C24 171(2) . . . . ?
C20 C21 C22 C24 -8(3) . . . . ?
O8 C21 C22 C25 -66(2) . . . . ?
C20 C21 C22 C25 116(2) . . . . ?
O8 C21 C22 C23 53(2) . . . . ?
C20 C21 C22 C23 -126(2) . . . . ?
C30 N2 C26 C27 -4(2) . . . . ?
Rh2 N2 C26 C27 176.3(11) . . . . ?
N2 C26 C27 C28 3(2) . . . . ?
N2 C26 C27 C31 -179.0(14) . . . . ?
C26 C27 C28 C29 1(2) . . . . ?
C31 C27 C28 C29 -177.1(15) . . . . ?
C27 C28 C29 C30 -3(2) . . . . ?
C27 C28 C29 C38 177.4(15) . . . . ?
C26 N2 C30 C29 1(2) . . . . ?
Rh2 N2 C30 C29 -179.1(13) . . . . ?
C28 C29 C30 N2 2(3) . . . . ?
C38 C29 C30 N2 -178.4(15) . . . . ?
Rh4 O9 C31 C32 2(2) . . . . ?
Rh4 O9 C31 C27 -179.2(9) . . . . ?
C28 C27 C31 O9 -172.5(15) . . . . ?
C26 C27 C31 O9 10(2) . . . . ?
C28 C27 C31 C32 6(2) . . . . ?
C26 C27 C31 C32 -171.8(15) . . . . ?
O9 C31 C32 C33 7(3) . . . . ?
C27 C31 C32 C33 -171.4(15) . . . . ?
Rh4 O10 C33 C32 5(2) . . . . ?
Rh4 O10 C33 C34 -178.0(10) . . . . ?
C31 C32 C33 O10 -11(3) . . . . ?
C31 C32 C33 C34 171.8(15) . . . . ?
O10 C33 C34 C37 55(2) . . . . ?
C32 C33 C34 C37 -127(2) . . . . ?
O10 C33 C34 C35 172.2(17) . . . . ?
C32 C33 C34 C35 -10(2) . . . . ?
O10 C33 C34 C36 -62(2) . . . . ?
C32 C33 C34 C36 115.7(19) . . . . ?
Rh6 O11 C38 C39 2(3) . . . . ?
Rh6 O11 C38 C29 177.8(10) . . . . ?
C30 C29 C38 O11 176.6(16) . . . . ?
C28 C29 C38 O11 -4(2) . . . . ?
C30 C29 C38 C39 -7(3) . . . . ?
C28 C29 C38 C39 172.4(18) . . . . ?
O11 C38 C39 C40 -8(4) . . . . ?
C29 C38 C39 C40 176(2) . . . . ?
Rh6 O12 C40 C39 2(3) . . . . ?
Rh6 O12 C40 C41 -176.8(15) . . . . ?
C38 C39 C40 O12 6(4) . . . . ?
C38 C39 C40 C41 -175(2) . . . . ?
O12 C40 C41 C42 143(2) . . . . ?
C39 C40 C41 C42 -36(3) . . . . ?
O12 C40 C41 C43 -89(2) . . . . ?
C39 C40 C41 C43 91(3) . . . . ?
O12 C40 C41 C44 20(3) . . . . ?
C39 C40 C41 C44 -160(3) . . . . ?
C49 C45 C46 C47 3.3(18) . . . . ?
C50 C45 C46 C47 -179.8(17) . . . . ?
Rh1 C45 C46 C47 61.4(11) . . . . ?
C49 C45 C46 C51 -176.0(17) . . . . ?
C50 C45 C46 C51 1(3) . . . . ?
Rh1 C45 C46 C51 -117.8(19) . . . . ?
C49 C45 C46 Rh1 -58.2(11) . . . . ?
C50 C45 C46 Rh1 118.8(18) . . . . ?
C45 C46 C47 C48 -1.4(19) . . . . ?
C51 C46 C47 C48 178.0(16) . . . . ?
Rh1 C46 C47 C48 61.8(12) . . . . ?
C45 C46 C47 C52 178.0(19) . . . . ?
C51 C46 C47 C52 -3(3) . . . . ?
Rh1 C46 C47 C52 -119(2) . . . . ?
C45 C46 C47 Rh1 -63.1(11) . . . . ?
C51 C46 C47 Rh1 116.2(16) . . . . ?
C46 C47 C48 C49 -1(2) . . . . ?
C52 C47 C48 C49 179.5(19) . . . . ?
Rh1 C47 C48 C49 59.4(13) . . . . ?
C46 C47 C48 C53 -179(2) . . . . ?
C52 C47 C48 C53 1(3) . . . . ?
Rh1 C47 C48 C53 -119(2) . . . . ?
C46 C47 C48 Rh1 -60.5(11) . . . . ?
C52 C47 C48 Rh1 120(2) . . . . ?
C46 C45 C49 C48 -4.0(19) . . . . ?
C50 C45 C49 C48 179.2(18) . . . . ?
Rh1 C45 C49 C48 -62.7(12) . . . . ?
C46 C45 C49 C54 -176.5(16) . . . . ?
C50 C45 C49 C54 7(3) . . . . ?
Rh1 C45 C49 C54 124.8(17) . . . . ?
C46 C45 C49 Rh1 58.7(12) . . . . ?
C50 C45 C49 Rh1 -118.1(18) . . . . ?
C47 C48 C49 C45 3(2) . . . . ?
C53 C48 C49 C45 -178.7(19) . . . . ?
Rh1 C48 C49 C45 63.5(11) . . . . ?
C47 C48 C49 C54 175.6(17) . . . . ?
C53 C48 C49 C54 -6(3) . . . . ?
Rh1 C48 C49 C54 -124.1(18) . . . . ?
C47 C48 C49 Rh1 -60.4(13) . . . . ?
C53 C48 C49 Rh1 118(2) . . . . ?
C59 C55 C56 C57 -3.4(19) . . . . ?
C60 C55 C56 C57 179.3(18) . . . . ?
Rh2 C55 C56 C57 57.5(11) . . . . ?
C59 C55 C56 C61 -173.9(15) . . . . ?
C60 C55 C56 C61 9(3) . . . . ?
Rh2 C55 C56 C61 -113.0(16) . . . . ?
C59 C55 C56 Rh2 -60.8(11) . . . . ?
C60 C55 C56 Rh2 122(2) . . . . ?
C55 C56 C57 C58 6.3(19) . . . . ?
C61 C56 C57 C58 176.3(16) . . . . ?
Rh2 C56 C57 C58 64.8(12) . . . . ?
C55 C56 C57 C62 177.9(17) . . . . ?
C61 C56 C57 C62 -12(3) . . . . ?
Rh2 C56 C57 C62 -123.6(18) . . . . ?
C55 C56 C57 Rh2 -58.5(12) . . . . ?
C61 C56 C57 Rh2 111.5(17) . . . . ?
C56 C57 C58 C63 174(2) . . . . ?
C62 C57 C58 C63 2(3) . . . . ?
Rh2 C57 C58 C63 -122(2) . . . . ?
C56 C57 C58 C59 -6.5(19) . . . . ?
C62 C57 C58 C59 -178.0(17) . . . . ?
Rh2 C57 C58 C59 57.7(12) . . . . ?
C56 C57 C58 Rh2 -64.2(11) . . . . ?
C62 C57 C58 Rh2 124.3(18) . . . . ?
C56 C55 C59 C58 -0.5(19) . . . . ?
C60 C55 C59 C58 177.1(17) . . . . ?
Rh2 C55 C59 C58 -63.3(12) . . . . ?
C56 C55 C59 C64 -176.0(16) . . . . ?
C60 C55 C59 C64 2(3) . . . . ?
Rh2 C55 C59 C64 121.2(17) . . . . ?
C56 C55 C59 Rh2 62.8(12) . . . . ?
C60 C55 C59 Rh2 -119.7(18) . . . . ?
C57 C58 C59 C55 4.2(19) . . . . ?
C63 C58 C59 C55 -176(2) . . . . ?
Rh2 C58 C59 C55 62.3(11) . . . . ?
C57 C58 C59 C64 179.4(18) . . . . ?
C63 C58 C59 C64 -1(3) . . . . ?
Rh2 C58 C59 C64 -123(2) . . . . ?
C57 C58 C59 Rh2 -58.1(12) . . . . ?
C63 C58 C59 Rh2 122(2) . . . . ?
C69 C65 C66 C67 -5(2) . . . . ?
C70 C65 C66 C67 -179.5(16) . . . . ?
Rh3 C65 C66 C67 58.4(12) . . . . ?
C69 C65 C66 C71 179.2(19) . . . . ?
C70 C65 C66 C71 5(3) . . . . ?
Rh3 C65 C66 C71 -117(2) . . . . ?
C69 C65 C66 Rh3 -63.8(12) . . . . ?
C70 C65 C66 Rh3 122.1(17) . . . . ?
C65 C66 C67 C68 6(2) . . . . ?
C71 C66 C67 C68 -179(2) . . . . ?
Rh3 C66 C67 C68 63.9(12) . . . . ?
C65 C66 C67 C72 -177.1(19) . . . . ?
C71 C66 C67 C72 -2(4) . . . . ?
Rh3 C66 C67 C72 -119(2) . . . . ?
C65 C66 C67 Rh3 -58.2(12) . . . . ?
C71 C66 C67 Rh3 117(2) . . . . ?
C66 C67 C68 C69 -4(2) . . . . ?
C72 C67 C68 C69 178.4(18) . . . . ?
Rh3 C67 C68 C69 60.2(11) . . . . ?
C66 C67 C68 C73 -173.7(17) . . . . ?
C72 C67 C68 C73 9(3) . . . . ?
Rh3 C67 C68 C73 -109.1(17) . . . . ?
C66 C67 C68 Rh3 -64.5(13) . . . . ?
C72 C67 C68 Rh3 118(2) . . . . ?
C67 C68 C69 C65 0.9(17) . . . . ?
C73 C68 C69 C65 171.3(14) . . . . ?
Rh3 C68 C69 C65 59.7(10) . . . . ?
C67 C68 C69 C74 -178.2(16) . . . . ?
C73 C68 C69 C74 -8(3) . . . . ?
Rh3 C68 C69 C74 -119.4(17) . . . . ?
C67 C68 C69 Rh3 -58.8(11) . . . . ?
C73 C68 C69 Rh3 111.6(15) . . . . ?
C66 C65 C69 C68 3.0(19) . . . . ?
C70 C65 C69 C68 177.2(15) . . . . ?
Rh3 C65 C69 C68 -62.4(10) . . . . ?
C66 C65 C69 C74 -177.9(18) . . . . ?
C70 C65 C69 C74 -4(3) . . . . ?
Rh3 C65 C69 C74 116.6(18) . . . . ?
C66 C65 C69 Rh3 65.5(14) . . . . ?
C70 C65 C69 Rh3 -120.4(15) . . . . ?
C79 C75 C76 C77 -8(2) . . . . ?
C80 C75 C76 C77 -163.6(17) . . . . ?
Rh4 C75 C76 C77 59.1(13) . . . . ?
C79 C75 C76 C81 174.6(18) . . . . ?
C80 C75 C76 C81 19(3) . . . . ?
Rh4 C75 C76 C81 -118.3(18) . . . . ?
C79 C75 C76 Rh4 -67.1(13) . . . . ?
C80 C75 C76 Rh4 137.3(18) . . . . ?
C75 C76 C77 C82 -168.8(18) . . . . ?
C81 C76 C77 C82 9(3) . . . . ?
Rh4 C76 C77 C82 -114(2) . . . . ?
C75 C76 C77 C78 3(2) . . . . ?
C81 C76 C77 C78 -180.0(18) . . . . ?
Rh4 C76 C77 C78 57.2(13) . . . . ?
C75 C76 C77 Rh4 -54.6(12) . . . . ?
C81 C76 C77 Rh4 122.8(18) . . . . ?
C76 C77 C78 C79 4(2) . . . . ?
C82 C77 C78 C79 175.6(17) . . . . ?
Rh4 C77 C78 C79 61.3(12) . . . . ?
C76 C77 C78 C83 -179(3) . . . . ?
C82 C77 C78 C83 -7(3) . . . . ?
Rh4 C77 C78 C83 -121(3) . . . . ?
C76 C77 C78 Rh4 -57.7(13) . . . . ?
C82 C77 C78 Rh4 114.3(17) . . . . ?
C76 C75 C79 C78 10(2) . . . . ?
C80 C75 C79 C78 167.7(16) . . . . ?
Rh4 C75 C79 C78 -58.6(13) . . . . ?
C76 C75 C79 C84 -177(2) . . . . ?
C80 C75 C79 C84 -20(3) . . . . ?
Rh4 C75 C79 C84 114(2) . . . . ?
C76 C75 C79 Rh4 68.9(13) . . . . ?
C80 C75 C79 Rh4 -133.7(15) . . . . ?
C77 C78 C79 C75 -8(2) . . . . ?
C83 C78 C79 C75 175(2) . . . . ?
Rh4 C78 C79 C75 54.7(13) . . . . ?
C77 C78 C79 C84 178.2(17) . . . . ?
C83 C78 C79 C84 1(4) . . . . ?
Rh4 C78 C79 C84 -119.2(19) . . . . ?
C77 C78 C79 Rh4 -62.7(12) . . . . ?
C83 C78 C79 Rh4 120(3) . . . . ?
C89 C85 C86 C87 7(2) . . . . ?
C90 C85 C86 C87 -179.1(17) . . . . ?
Rh5 C85 C86 C87 65.1(12) . . . . ?
C89 C85 C86 C91 175(2) . . . . ?
C90 C85 C86 C91 -12(3) . . . . ?
Rh5 C85 C86 C91 -128(3) . . . . ?
C89 C85 C86 Rh5 -57.6(13) . . . . ?
C90 C85 C86 Rh5 115.8(17) . . . . ?
C85 C86 C87 C88 -5(2) . . . . ?
C91 C86 C87 C88 -173(2) . . . . ?
Rh5 C86 C87 C88 60.3(15) . . . . ?
C85 C86 C87 C92 -175(2) . . . . ?
C91 C86 C87 C92 17(4) . . . . ?
Rh5 C86 C87 C92 -109(2) . . . . ?
C85 C86 C87 Rh5 -65.4(13) . . . . ?
C91 C86 C87 Rh5 126(2) . . . . ?
C86 C87 C88 C89 1(3) . . . . ?
C92 C87 C88 C89 171(2) . . . . ?
Rh5 C87 C88 C89 58.2(17) . . . . ?
C86 C87 C88 C93 -177(2) . . . . ?
C92 C87 C88 C93 -7(4) . . . . ?
Rh5 C87 C88 C93 -119(2) . . . . ?
C86 C87 C88 Rh5 -57.7(14) . . . . ?
C92 C87 C88 Rh5 113(2) . . . . ?
C87 C88 C89 C85 4(3) . . . . ?
C93 C88 C89 C85 -178(2) . . . . ?
Rh5 C88 C89 C85 64.0(14) . . . . ?
C87 C88 C89 C94 179(2) . . . . ?
C93 C88 C89 C94 -3(4) . . . . ?
Rh5 C88 C89 C94 -121(2) . . . . ?
C87 C88 C89 Rh5 -59.6(17) . . . . ?
C93 C88 C89 Rh5 118(2) . . . . ?
C86 C85 C89 C88 -8(2) . . . . ?
C90 C85 C89 C88 180(2) . . . . ?
Rh5 C85 C89 C88 -65.3(16) . . . . ?
C86 C85 C89 C94 177(2) . . . . ?
C90 C85 C89 C94 5(3) . . . . ?
Rh5 C85 C89 C94 120(2) . . . . ?
C86 C85 C89 Rh5 57.8(14) . . . . ?
C90 C85 C89 Rh5 -114.9(19) . . . . ?
C99 C95 C96 C101 -179.5(18) . . . . ?
C100 C95 C96 C101 4(3) . . . . ?
Rh6 C95 C96 C101 -118(2) . . . . ?
C99 C95 C96 C97 1(2) . . . . ?
C100 C95 C96 C97 -174.6(18) . . . . ?
Rh6 C95 C96 C97 63.3(13) . . . . ?
C99 C95 C96 Rh6 -61.9(12) . . . . ?
C100 C95 C96 Rh6 122.1(18) . . . . ?
C101 C96 C97 C102 6(3) . . . . ?
C95 C96 C97 C102 -175(2) . . . . ?
Rh6 C96 C97 C102 -114(2) . . . . ?
C101 C96 C97 C98 177.6(18) . . . . ?
C95 C96 C97 C98 -3(2) . . . . ?
Rh6 C96 C97 C98 58.1(12) . . . . ?
C101 C96 C97 Rh6 119.5(19) . . . . ?
C95 C96 C97 Rh6 -61.4(12) . . . . ?
C96 C97 C98 C103 177(3) . . . . ?
C102 C97 C98 C103 -10(4) . . . . ?
Rh6 C97 C98 C103 -124(3) . . . . ?
C96 C97 C98 C99 4(2) . . . . ?
C102 C97 C98 C99 176.5(19) . . . . ?
Rh6 C97 C98 C99 62.3(12) . . . . ?
C96 C97 C98 Rh6 -58.4(13) . . . . ?
C102 C97 C98 Rh6 114(2) . . . . ?
C96 C95 C99 C98 1(2) . . . . ?
C100 C95 C99 C98 177.2(18) . . . . ?
Rh6 C95 C99 C98 -59.6(14) . . . . ?
C96 C95 C99 C104 178(2) . . . . ?
C100 C95 C99 C104 -6(3) . . . . ?
Rh6 C95 C99 C104 117(2) . . . . ?
C96 C95 C99 Rh6 60.8(11) . . . . ?
C100 C95 C99 Rh6 -123.2(18) . . . . ?
C103 C98 C99 C95 -176(3) . . . . ?
C97 C98 C99 C95 -3(2) . . . . ?
Rh6 C98 C99 C95 59.5(14) . . . . ?
C103 C98 C99 C104 7(4) . . . . ?
C97 C98 C99 C104 -180(2) . . . . ?
Rh6 C98 C99 C104 -117(2) . . . . ?
C103 C98 C99 Rh6 124(3) . . . . ?
C97 C98 C99 Rh6 -62.6(12) . . . . ?
C108 N3 C105 C106 -1(3) . . . . ?
Rh3 N3 C105 C106 169.4(13) . . . . ?
C107 N4 C106 C105 2(2) . . . . ?
Rh4 N4 C106 C105 -171.9(13) . . . . ?
N3 C105 C106 N4 -2(3) . . . . ?
C106 N4 C107 C108 1(2) . . . . ?
Rh4 N4 C107 C108 174.2(14) . . . . ?
C105 N3 C108 C107 3(3) . . . . ?
Rh3 N3 C108 C107 -167.3(14) . . . . ?
N4 C107 C108 N3 -3(3) . . . . ?
C112 N5 C109 C110 3(2) . . . . ?
Rh5 N5 C109 C110 -172.6(13) . . . . ?
C111 N6 C110 C109 4(2) . . . . ?
Rh6 N6 C110 C109 174.1(13) . . . . ?
N5 C109 C110 N6 -3(3) . . . . ?
C110 N6 C111 C112 -4(2) . . . . ?
Rh6 N6 C111 C112 -174.3(14) . . . . ?
N6 C111 C112 N5 4(3) . . . . ?
C109 N5 C112 C111 -3(3) . . . . ?
Rh5 N5 C112 C111 172.2(15) . . . . ?
O15 S1 C113 F1 180(2) . . . . ?
O14 S1 C113 F1 59(3) . . . . ?
O13 S1 C113 F1 -59(3) . . . . ?
O15 S1 C113 F2 -59(4) . . . . ?
O14 S1 C113 F2 -180(3) . . . . ?
O13 S1 C113 F2 62(3) . . . . ?
O15 S1 C113 F3 56(3) . . . . ?
O14 S1 C113 F3 -64(3) . . . . ?
O13 S1 C113 F3 177(2) . . . . ?
O17 S2 C114 F5 -177(3) . . . . ?
O18 S2 C114 F5 -64(3) . . . . ?
O16 S2 C114 F5 57(3) . . . . ?
O17 S2 C114 F4 63(3) . . . . ?
O18 S2 C114 F4 177(2) . . . . ?
O16 S2 C114 F4 -62(3) . . . . ?
O17 S2 C114 F6 -50(3) . . . . ?
O18 S2 C114 F6 64(2) . . . . ?
O16 S2 C114 F6 -175(2) . . . . ?
O19 S3 C115 F9 175(3) . . . . ?
O21 S3 C115 F9 64(3) . . . . ?
O20 S3 C115 F9 -57(4) . . . . ?
O19 S3 C115 F8 70(4) . . . . ?
O21 S3 C115 F8 -41(4) . . . . ?
O20 S3 C115 F8 -162(4) . . . . ?
O19 S3 C115 F7 -80(4) . . . . ?
O21 S3 C115 F7 169(4) . . . . ?
O20 S3 C115 F7 48(5) . . . . ?
O23 S4 C116 F12 -58(3) . . . . ?
O24 S4 C116 F12 45(3) . . . . ?
O22 S4 C116 F12 -177(3) . . . . ?
O23 S4 C116 F10 64(2) . . . . ?
O24 S4 C116 F10 167(3) . . . . ?
O22 S4 C116 F10 -55(3) . . . . ?
O23 S4 C116 F11 177(2) . . . . ?
O24 S4 C116 F11 -80(3) . . . . ?
O22 S4 C116 F11 58(3) . . . . ?

_refine_diff_density_max         3.253
_refine_diff_density_min         -1.622
_refine_diff_density_rms         0.343

_shelxl_version_number           2013-4

####################################################################### 
# 
# 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_G1_1a
_database_code_depnum_ccdc_archive 'CCDC 1571146'
_audit_update_record             
;
2018-01-08 deposited with the CCDC.
2018-01-09 downloaded from the CCDC.
;
_audit_creation_date             2018-01-08
_audit_creation_method           
; 
Olex2 1.2-beta 
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998) 
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'0.67(C128 H152 Cl4 Cu4 N4 O27.5 Rh4), 0.33(C130 H158 Cl4 Cu4 N4 O28 Rh4), 2.67(C F3 O3 S), C16 H10, 0.67(C4 H10 O), 0.67(C O)'
_chemical_formula_sum            'C154 H192 Cl4 Cu4 F12 N4 O45 Rh4 S4'
_chemical_formula_weight         3982.94
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 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'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh 0.0927 3.6045 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   18.9815(9)
_cell_length_b                   23.9885(11)
_cell_length_c                   34.8027(16)
_cell_angle_alpha                80.7437(17)
_cell_angle_beta                 85.6454(17)
_cell_angle_gamma                70.2326(17)
_cell_volume                     14715.0(12)
_cell_formula_units_Z            3
_cell_measurement_reflns_used    9970
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      68.38
_cell_measurement_theta_min      2.82
_shelx_estimated_absorpt_T_max   0.364
_shelx_estimated_absorpt_T_min   0.306
_exptl_absorpt_coefficient_mu    4.694
_exptl_absorpt_correction_T_max  0.1665
_exptl_absorpt_correction_T_min  0.0465
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
; 
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction. 
wR2(int) was 0.1445 before and 0.0759 after correction. 
The Ratio of minimum to maximum transmission is 0.2793. 
The λ/2 correction factor is 0.00150. 
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            green
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.348
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             6120
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.27
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0625
_diffrn_reflns_av_unetI/netI     0.0880
_diffrn_reflns_Laue_measured_fraction_full 0.944
_diffrn_reflns_Laue_measured_fraction_max 0.943
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_number            97360
_diffrn_reflns_point_group_measured_fraction_full 0.944
_diffrn_reflns_point_group_measured_fraction_max 0.943
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         67.999
_diffrn_reflns_theta_min         2.198
_diffrn_ambient_temperature      200.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.944
_diffrn_measured_fraction_theta_max 0.943
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                32130
_reflns_number_total             50550
_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. 
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_refine_diff_density_max         2.579
_refine_diff_density_min         -4.999
_refine_diff_density_rms         0.159
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.445
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     3207
_refine_ls_number_reflns         50550
_refine_ls_number_restraints     738
_refine_ls_R_factor_all          0.1631
_refine_ls_R_factor_gt           0.1306
_refine_ls_restrained_S_all      1.456
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3776
_refine_ls_wR_factor_ref         0.4110
_refine_special_details          
; 
 Two copper atoms and three tert-butyl groups were 
 disordered and they were divided into two parts (60:40, 
 64:36 for copper atoms and 60:40, 63:37, 63:37 for t-bu 
 groups). O57 was partly occupied (50%). O48 and C196 were 
 refined isotropically and other non-hydrogen atoms were 
 refined anisotropically. 99 ISOR, 2 SIMU and 120 DFIX 
 instructions were used to restrain anions, ligands and Cp* 
 fragments so that there were 738 restraints in the data. 
 Hydrogen of methanol and water molecules could not be found 
 and others were put in calculated positions. 
;
_olex2_refinement_description    
; 
1. Fixed Uiso 
 At 1.2 times of: 
  All C(H) groups, All C(H,H) groups 
 At 1.5 times of: 
  All C(H,H,H) groups 
2. Shared sites 
{C57, C57'} 
{C76, C76'} 
3. Restrained distances 
 O46-O47 = O46-O48 = O47-O48 
 2.4 with sigma of 0.03 
 S2-O40 = S2-O41 = S2-O42 
 1.41 with sigma of 0.01 
 S4-O47 
 1.42 with sigma of 0.02 
 O55-C224 = O55-C225 = O60-C227 
 1.42 with sigma of 0.03 
 C202-C203 = C203-C204 
 1.4 with sigma of 0.02 
 F10-F11 = F10-F12 = F11-F12 
 2.1 with sigma of 0.03 
 C194-F4 = C195-F8 = C196-F10 = C196-F11 = C196-F12 
 1.35 with sigma of 0.02 
 S3-O43 = S3-O44 = S3-O45 = S4-O46 = S4-O47 = S4-O48 
 1.42 with sigma of 0.02 
 S4-C196 
 1.8 with sigma of 0.02 
 C175-C176 = C176-C177 
 1.4 with sigma of 0.02 
 C251-C252 = C251-C253 = C252-C253 
 2.5 with sigma of 0.03 
 C150-C251 = C150-C252 = C150-C253 
 1.52 with sigma of 0.02 
 C151-C152 = C151-C153 = C152-C153 
 2.5 with sigma of 0.03 
 C150-C151 = C150-C152 = C150-C153 
 1.52 with sigma of 0.02 
 C79-C80 = C79-C81 = C80-C81 = C79'-C80' = C79'-C81' = C80'-C81' 
 2.5 with sigma of 0.03 
 C78-C79 = C78-C80 = C78-C81 = C78'-C79' = C78'-C80' = C78'-C81' 
 1.52 with sigma of 0.02 
 C66-C68 = C85-C88 
 1.52 with sigma of 0.02 
 C60-C61 = C60-C62 = C61-C62 = C60'-C61' = C60'-C62' = C61'-C62' 
 2.5 with sigma of 0.03 
 C59-C60 = C59-C61 = C59-C62 = C59'-C60' = C59'-C61' = C59'-C62' 
 1.52 with sigma of 0.02 
 C48-C49 = C48-C50 = C49-C50 = C48'-C49' = C48'-C50' = C49'-C50' 
 2.5 with sigma of 0.03 
 C47-C48 = C47-C49 = C47-C50 = C47'-C48' = C47'-C49' = C47'-C50' 
 1.52 with sigma of 0.02 
 C41-C42 = C41-C43 = C42-C43 = C41'-C42' = C41'-C43' = C42'-C43' 
 2.5 with sigma of 0.03 
 C40-C41 = C40-C42 = C40-C43 = C40'-C41' = C40'-C42' = C40'-C43' 
 1.52 with sigma of 0.02 
 C27-C29 = C27-C31 = C39-C42' = C46-C48' = C58-C60 = C58'-C60' 
 2.5 with sigma of 0.03 
 C29-C30 = C29-C31 = C30-C31 = C29'-C30' = C29'-C31' = C30'-C31' 
 2.5 with sigma of 0.03 
 C28-C29 = C28-C30 = C28-C31 = C28-C29' = C28-C30' = C28-C31' 
 1.52 with sigma of 0.02 
 C122-C127 = C175-C180 
 1.5 with sigma of 0.02 
 C77-C78 = C77'-C78' 
 1.5 with sigma of 0.02 
 C27-C28 = C39-C40 = C46-C47' = C58-C59 = C58'-C59' 
 1.5 with sigma of 0.02 
 C223-C224 = C225-C226 
 1.52 with sigma of 0.03 
4. Uiso/Uaniso restraints and constraints 
C196 \\sim F10 \\sim F11 \\sim F12: within 2A with sigma of 0.02 and sigma for 
terminal atoms of 0.05 
Cu3' \\sim O58: within 2A with sigma of 0.02 and sigma for terminal atoms of 
0.05 
Uanis(Cu1) \\sim Ueq, Uanis(Cu2) \\sim Ueq, Uanis(Cu3) \\sim Ueq, Uanis(Cu4) 
\\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04 
Uanis(O9) \\sim Ueq, Uanis(O12) \\sim Ueq, Uanis(O13) \\sim Ueq, Uanis(O16) 
\\sim Ueq, Uanis(O20) \\sim Ueq, Uanis(O24) \\sim Ueq, Uanis(O38) \\sim Ueq, 
Uanis(O43) \\sim Ueq, Uanis(O44) \\sim Ueq, Uanis(O45) \\sim Ueq, Uanis(O47) 
\\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04 
Uanis(F3) \\sim Ueq, Uanis(F7) \\sim Ueq, Uanis(F8) \\sim Ueq, Uanis(F9) \\sim 
Ueq, Uanis(F10) \\sim Ueq, Uanis(F11) \\sim Ueq, Uanis(F12) \\sim Ueq: with 
sigma of 0.02 and sigma for terminal atoms of 0.04 
Uanis(C20) \\sim Ueq, Uanis(C27) \\sim Ueq, Uanis(C28) \\sim Ueq, Uanis(C29) 
\\sim Ueq, Uanis(C30) \\sim Ueq, Uanis(C31) \\sim Ueq, Uanis(C29') \\sim Ueq, 
Uanis(C30') \\sim Ueq, Uanis(C81) \\sim Ueq, Uanis(C78') \\sim Ueq, Uanis(C80') 
\\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04 
Uanis(C39) \\sim Ueq, Uanis(C40) \\sim Ueq, Uanis(C41) \\sim Ueq, Uanis(C42) 
\\sim Ueq, Uanis(C43) \\sim Ueq, Uanis(C41') \\sim Ueq, Uanis(C42') \\sim Ueq, 
Uanis(C43') \\sim Ueq, Uanis(C47') \\sim Ueq, Uanis(C48') \\sim Ueq, 
Uanis(C49') \\sim Ueq, Uanis(C50') \\sim Ueq: with sigma of 0.02 and sigma for 
terminal atoms of 0.04 
Uanis(C57) \\sim Ueq, Uanis(C58) \\sim Ueq, Uanis(C59) \\sim Ueq, Uanis(C60) 
\\sim Ueq, Uanis(C61) \\sim Ueq, Uanis(C62) \\sim Ueq, Uanis(O17) \\sim Ueq, 
Uanis(C57') \\sim Ueq, Uanis(C58') \\sim Ueq, Uanis(C59') \\sim Ueq, 
Uanis(C60') \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04 
Uanis(C61') \\sim Ueq, Uanis(C62') \\sim Ueq, Uanis(C65) \\sim Ueq, Uanis(C66) 
\\sim Ueq, Uanis(C68) \\sim Ueq, Uanis(C69) \\sim Ueq, Uanis(C76) \\sim Ueq, 
Uanis(C77) \\sim Ueq, Uanis(C79) \\sim Ueq, Uanis(C80) \\sim Ueq: with sigma of 
0.02 and sigma for terminal atoms of 0.04 
Uanis(C87) \\sim Ueq, Uanis(C88) \\sim Ueq, Uanis(C111) \\sim Ueq, Uanis(C126) 
\\sim Ueq, Uanis(C127) \\sim Ueq, Uanis(C128) \\sim Ueq, Uanis(C145) \\sim Ueq, 
Uanis(C146) \\sim Ueq, Uanis(C153) \\sim Ueq: with sigma of 0.02 and sigma for 
terminal atoms of 0.04 
Uanis(C251) \\sim Ueq, Uanis(C252) \\sim Ueq, Uanis(C253) \\sim Ueq, 
Uanis(C171) \\sim Ueq, Uanis(C172) \\sim Ueq, Uanis(C176) \\sim Ueq, 
Uanis(C179) \\sim Ueq, Uanis(C180) \\sim Ueq, Uanis(C181) \\sim Ueq: with sigma 
of 0.02 and sigma for terminal atoms of 0.04 
Uanis(C195) \\sim Ueq, Uanis(C202) \\sim Ueq, Uanis(C203) \\sim Ueq, 
Uanis(C204) \\sim Ueq, Uanis(C205) \\sim Ueq, Uanis(C207) \\sim Ueq, 
Uanis(C208) \\sim Ueq, Uanis(C209) \\sim Ueq, Uanis(C225) \\sim Ueq, 
Uanis(C226) \\sim Ueq, Uanis(O57) \\sim Ueq: with sigma of 0.02 and sigma for 
terminal atoms of 0.04 
Uanis(C182) \\sim Ueq, Uanis(O58) \\sim Ueq: with sigma of 0.01 and sigma for 
terminal atoms of 0.02 
Uanis(C31') \\sim Ueq, Uanis(C79') \\sim Ueq: with sigma of 0.005 and sigma for 
terminal atoms of 0.01 
Uanis(Cu1) = Uanis(Cu1') 
Uanis(Cu2) = Uanis(Cu2') 
Uanis(Cu3) = Uanis(Cu3') 
Uanis(Cu4) = Uanis(Cu4') 
Uanis(C57) = Uanis(C57') 
Uanis(C76) = Uanis(C76') 
Uanis(C78) = Uanis(C78') 
Uanis(C81) = Uanis(C81') 
5. Others 
 Sof(Cu1')=Sof(C40')=Sof(C41')=Sof(H41D)=Sof(H41E)=Sof(H41F)=Sof(C42')= 
 Sof(H42D)=Sof(H42E)=Sof(H42F)=Sof(C43')=Sof(H43D)=Sof(H43E)=Sof(H43F)=1-FVAR(1) 
 Sof(Cu1)=Sof(C40)=Sof(C41)=Sof(H41A)=Sof(H41B)=Sof(H41C)=Sof(C42)=Sof(H42A)= 
 Sof(H42B)=Sof(H42C)=Sof(C43)=Sof(H43A)=Sof(H43B)=Sof(H43C)=FVAR(1) 
 Sof(Cu2')=Sof(C29')=Sof(H29D)=Sof(H29E)=Sof(H29F)=Sof(C30')=Sof(H30D)= 
 Sof(H30E)=Sof(H30F)=Sof(C31')=Sof(H31D)=Sof(H31E)=Sof(H31F)=Sof(C47')= 
 Sof(C48')=Sof(H48D)=Sof(H48E)=Sof(H48F)=Sof(C49')=Sof(H49D)=Sof(H49E)= 
 Sof(H49F)=Sof(C50')=Sof(H50D)=Sof(H50E)=Sof(H50F)=1-FVAR(2) 
 Sof(Cu2)=Sof(C29)=Sof(H29A)=Sof(H29B)=Sof(H29C)=Sof(C30)=Sof(H30A)=Sof(H30B)= 
 Sof(H30C)=Sof(C31)=Sof(H31A)=Sof(H31B)=Sof(H31C)=Sof(C47)=Sof(C48)=Sof(H48A)= 
 Sof(H48B)=Sof(H48C)=Sof(C49)=Sof(H49A)=Sof(H49B)=Sof(H49C)=Sof(C50)=Sof(H50A)= 
 Sof(H50B)=Sof(H50C)=FVAR(2) 
 Sof(Cu3')=Sof(C57')=Sof(H57')=Sof(C58')=Sof(C59')=Sof(C60')=Sof(H60D)= 
 Sof(H60E)=Sof(H60F)=Sof(C61')=Sof(H61D)=Sof(H61E)=Sof(H61F)=Sof(C62')= 
 Sof(H62D)=Sof(H62E)=Sof(H62F)=Sof(O17')=Sof(C76')=Sof(H76')=Sof(C77')= 
 Sof(C78')=Sof(C79')=Sof(H79D)=Sof(H79E)=Sof(H79F)=Sof(C80')=Sof(H80D)= 
 Sof(H80E)=Sof(H80F)=Sof(C81')=Sof(H81D)=Sof(H81E)=Sof(H81F)=Sof(O21')=1-FVAR(3) 
 Sof(Cu3)=Sof(C57)=Sof(H57)=Sof(C58)=Sof(C59)=Sof(C60)=Sof(H60A)=Sof(H60B)= 
 Sof(H60C)=Sof(C61)=Sof(H61A)=Sof(H61B)=Sof(H61C)=Sof(C62)=Sof(H62A)=Sof(H62B)= 
 Sof(H62C)=Sof(O17)=Sof(C76)=Sof(H76)=Sof(C77)=Sof(C78)=Sof(C79)=Sof(H79A)= 
 Sof(H79B)=Sof(H79C)=Sof(C80)=Sof(H80A)=Sof(H80B)=Sof(H80C)=Sof(C81)=Sof(H81A)= 
 Sof(H81B)=Sof(H81C)=Sof(O21)=FVAR(3) 
 Sof(Cu4')=1-FVAR(4) 
 Sof(Cu4)=FVAR(4) 
 Sof(C251)=Sof(H25A)=Sof(H25B)=Sof(H25C)=Sof(C252)=Sof(H25D)=Sof(H25E)= 
 Sof(H25F)=Sof(C253)=Sof(H25G)=Sof(H25H)=Sof(H25I)=1-FVAR(5) 
 Sof(C151)=Sof(H15A)=Sof(H15B)=Sof(H15C)=Sof(C152)=Sof(H15D)=Sof(H15E)= 
 Sof(H15F)=Sof(C153)=Sof(H15G)=Sof(H15H)=Sof(H15I)=FVAR(5) 
 Fixed Sof: O57(0.5) 
6.a Secondary CH2 refined with riding coordinates: 
 C224(H22J,H22K), C225(H22L,H22M) 
6.b Me refined with riding coordinates: 
 C29(H29A,H29B,H29C), C30(H30A,H30B,H30C), C29'(H29D,H29E,H29F), C30'(H30D, 
 H30E,H30F), C79(H79A,H79B,H79C), C81(H81A,H81B,H81C), C81'(H81D,H81E,H81F), 
 C253(H25G,H25H,H25I) 
6.c Aromatic/amide H refined with riding coordinates: 
 C13(H13), C15(H15), C17(H17), C19(H19), C26(H26), C32(H32), C34(H34), 
 C36(H36), C38(H38), C45(H45), C51(H51), C53(H53), C55(H55), C57(H57), 
 C57'(H57'), C64(H64), C70(H70), C72(H72), C74(H74), C76(H76), C76'(H76'), 
 C83(H83), C135(H135), C137(H137), C139(H139), C141(H141), C148(H148), 
 C154(H154), C156(H156), C158(H158), C160(H160), C167(H167), C200(H200), 
 C201(H201), C203(H203), C204(H204), C205(H205), C207(H207), C208(H208), 
 C210(H210), C211(H211), C212(H212), C215(H215), C216(H216), C218(H218), 
 C219(H219), C220(H220) 
6.d Idealised Me refined as rotating group: 
 C22(H22A,H22B,H22C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C31(H31A,H31B, 
 H31C), C31'(H31D,H31E,H31F), C41(H41A,H41B,H41C), C42(H42A,H42B,H42C), 
 C43(H43A,H43B,H43C), C41'(H41D,H41E,H41F), C42'(H42D,H42E,H42F), C43'(H43D, 
 H43E,H43F), C48(H48A,H48B,H48C), C49(H49A,H49B,H49C), C50(H50A,H50B,H50C), 
 C48'(H48D,H48E,H48F), C49'(H49D,H49E,H49F), C50'(H50D,H50E,H50F), C60(H60A, 
 H60B,H60C), C61(H61A,H61B,H61C), C62(H62A,H62B,H62C), C60'(H60D,H60E,H60F), 
 C61'(H61D,H61E,H61F), C62'(H62D,H62E,H62F), C67(H67A,H67B,H67C), C68(H68A,H68B, 
 H68C), C69(H69A,H69B,H69C), C80(H80A,H80B,H80C), C79'(H79D,H79E,H79F), 
 C80'(H80D,H80E,H80F), C86(H86A,H86B,H86C), C87(H87A,H87B,H87C), C88(H88A,H88B, 
 H88C), C94(H94A,H94B,H94C), C95(H95A,H95B,H95C), C96(H96A,H96B,H96C), C97(H97A, 
 H97B,H97C), C98(H98A,H98B,H98C), C104(H10A,H10B,H10C), C105(H10D,H10E,H10F), 
 C106(H10G,H10H,H10I), C107(H10J,H10K,H10L), C108(H10M,H10N,H10O), C114(H11A, 
 H11B,H11C), C115(H11D,H11E,H11F), C116(H11G,H11H,H11I), C117(H11J,H11K,H11L), 
 C118(H11M,H11N,H11O), C124(H12A,H12B,H12C), C125(H12D,H12E,H12F), C126(H12G, 
 H12H,H12I), C127(H12J,H12K,H12L), C128(H12M,H12N,H12O), C144(H14A,H14B,H14C), 
 C145(H14D,H14E,H14F), C146(H14G,H14H,H14I), C151(H15A,H15B,H15C), C152(H15D, 
 H15E,H15F), C153(H15G,H15H,H15I), C251(H25A,H25B,H25C), C252(H25D,H25E,H25F), 
 C163(H16A,H16B,H16C), C164(H16D,H16E,H16F), C165(H16G,H16H,H16I), C170(H17A, 
 H17B,H17C), C171(H17D,H17E,H17F), C172(H17G,H17H,H17I), C178(H17J,H17K,H17L), 
 C179(H17M,H17N,H17O), C180(H18A,H18B,H18C), C181(H18D,H18E,H18F), C182(H18G, 
 H18H,H18I), C188(H18J,H18K,H18L), C189(H18M,H18N,H18O), C190(H19A,H19B,H19C), 
 C191(H19D,H19E,H19F), C192(H19G,H19H,H19I), C223(H22G,H22H,H22I), C226(H22N, 
 H22O,H22P), C227(H22D,H22E,H22F) 
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?

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 -0.016 0.467 0.024 3650.5 380.0
2 0.090 0.292 0.847 14.9 -0.4
3 0.108 0.827 0.147 11.4 -0.5
4 0.142 0.524 0.144 15.7 -2.1
5 0.169 0.803 0.194 9.8 -0.7
6 0.213 0.498 0.192 6.4 0.3
7 0.258 0.202 0.983 25.2 -4.7
8 0.251 0.452 0.527 11.7 -0.2
9 0.307 0.667 0.825 8.4 0.8
10 0.439 0.203 0.148 20.9 -0.5
11 0.465 0.147 0.484 17.4 1.5
12 0.535 0.853 0.516 17.4 4.5
13 0.561 0.797 0.852 20.8 0.4
14 0.693 0.333 0.175 8.4 2.3
15 0.742 0.798 1.016 25.3 -3.9
16 0.749 0.548 0.473 11.7 -1.0
17 0.792 0.500 0.811 6.6 0.0
18 0.836 0.194 0.811 11.8 -0.5
19 0.861 0.475 0.858 15.5 -3.5
20 0.900 0.171 0.859 10.3 0.3
21 0.910 0.708 0.153 14.9 -2.6
_platon_squeeze_details          
;
 In asymmetric unit of this data, there were disordered
 anions and solvents (two triflate anions, three methanol
 and three 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 0.27210(4) 0.36912(3) 0.10787(2) 0.0547(2) Uani 1 1 d . . . . .
Rh2 Rh 0.58617(3) 0.50494(3) 0.15067(2) 0.04517(18) Uani 1 1 d . . . . .
Rh3 Rh 0.06361(8) 0.17264(6) 0.51790(2) 0.0955(4) Uani 1 1 d . . . . .
Rh4 Rh 0.39325(4) 0.29095(3) 0.56076(2) 0.0529(2) Uani 1 1 d . . . . .
Cu1 Cu 0.3645(3) 0.14388(19) 0.31934(12) 0.0572(9) Uani 0.600(7) 1 d . U P . .
Cu2 Cu 0.0245(4) 0.4166(3) 0.31376(18) 0.0699(14) Uani 0.629(11) 1 d . U P . .
Cu3 Cu 0.6313(3) 0.2524(2) 0.35066(13) 0.0711(11) Uani 0.600(7) 1 d . U P C .
Cu4 Cu 0.3000(4) 0.5255(3) 0.3498(2) 0.0539(14) Uani 0.641(18) 1 d . U P . .
Cu1' Cu 0.3414(4) 0.1318(3) 0.3228(2) 0.0572(9) Uani 0.400(7) 1 d . . P . .
Cu2' Cu 0.0078(6) 0.4024(6) 0.3117(4) 0.0699(14) Uani 0.371(11) 1 d . . P . .
Cu3' Cu 0.6571(4) 0.2654(3) 0.3553(2) 0.0711(11) Uani 0.400(7) 1 d . U P C .
Cu4' Cu 0.3142(6) 0.5358(6) 0.3555(3) 0.0539(14) Uani 0.359(18) 1 d . . P . .
Cl1 Cl 0.30337(13) 0.56264(11) 0.13595(11) 0.0790(9) Uani 1 1 d . . . . .
Cl2 Cl 0.55135(16) 0.30897(12) 0.13540(14) 0.0957(12) Uani 1 1 d . . . . .
Cl3 Cl 0.11455(17) 0.36572(15) 0.52968(12) 0.0869(9) Uani 1 1 d . . . . .
Cl4 Cl 0.3451(2) 0.10244(12) 0.53618(12) 0.1028(13) Uani 1 1 d . . . . .
N1 N 0.2606(4) 0.3467(4) 0.1691(2) 0.0538(18) Uani 1 1 d . . . . .
N2 N 0.0956(7) 0.1947(5) 0.4598(3) 0.076(3) Uani 1 1 d . . . . .
N3 N 0.5556(4) 0.4801(3) 0.20936(19) 0.0420(14) Uani 1 1 d . . . . .
N4 N 0.4039(5) 0.3149(4) 0.4994(2) 0.0550(18) Uani 1 1 d . . . . .
O1 O 0.3873(4) 0.3451(3) 0.1177(2) 0.0575(16) Uani 1 1 d . . . . .
O2 O 0.2834(3) 0.4489(3) 0.1204(2) 0.0547(15) Uani 1 1 d . . . . .
O3 O 0.4689(3) 0.5303(3) 0.14091(19) 0.0479(13) Uani 1 1 d . . . . .
O4 O 0.5716(3) 0.4243(3) 0.14243(19) 0.0498(13) Uani 1 1 d . . . . .
O5 O 0.1793(5) 0.1434(4) 0.5290(2) 0.076(2) Uani 1 1 d . . . . .
O6 O 0.0840(5) 0.2530(4) 0.5251(2) 0.080(2) Uani 1 1 d . . . . .
O7 O 0.2772(4) 0.3206(3) 0.55028(19) 0.0539(14) Uani 1 1 d . . . . .
O8 O 0.3747(4) 0.2130(3) 0.5479(2) 0.0615(17) Uani 1 1 d . . . . .
O9 O 0.4499(6) 0.1224(5) 0.2927(3) 0.118(4) Uani 1 1 d . U . . .
O10 O 0.3119(4) 0.2065(4) 0.2832(2) 0.075(2) Uani 1 1 d . . . . .
O11 O 0.0990(4) 0.3790(4) 0.2775(2) 0.075(2) Uani 1 1 d . . . . .
O12 O -0.0098(7) 0.4887(6) 0.2812(3) 0.141(5) Uani 1 1 d . U . . .
O13 O 0.4045(7) 0.0756(5) 0.3600(3) 0.123(4) Uani 1 1 d . U . . .
O14 O 0.2672(5) 0.1664(3) 0.3534(2) 0.078(2) Uani 1 1 d . . . . .
O15 O 0.0583(5) 0.3396(5) 0.3483(3) 0.093(3) Uani 1 1 d . . . . .
O16 O -0.0564(6) 0.4456(6) 0.3510(3) 0.123(4) Uani 1 1 d . U . . .
O18 O 0.5971(5) 0.3303(4) 0.3184(3) 0.091(3) Uani 1 1 d . . . . .
O19 O 0.3887(4) 0.5020(3) 0.3178(2) 0.0611(17) Uani 1 1 d . . . . .
O20 O 0.2558(5) 0.5937(4) 0.3126(2) 0.096(3) Uani 1 1 d . U . . .
O22 O 0.5610(5) 0.2878(4) 0.3893(2) 0.090(3) Uani 1 1 d . . . . .
O23 O 0.3489(4) 0.4593(3) 0.3887(2) 0.0636(18) Uani 1 1 d . . . . .
O24 O 0.2122(5) 0.5473(5) 0.3805(2) 0.097(3) Uani 1 1 d . U . . .
O25 O 0.0341(3) 0.8873(3) 0.21351(19) 0.0552(15) Uani 1 1 d . . . . .
O26 O -0.0644(3) 0.9949(3) 0.21458(18) 0.0496(13) Uani 1 1 d . . . . .
O27 O -0.2540(3) 0.9233(3) 0.18989(19) 0.0500(14) Uani 1 1 d . . . . .
O28 O -0.1574(4) 0.8150(3) 0.19317(19) 0.0551(15) Uani 1 1 d . . . . .
O29 O -0.1085(4) 1.2267(4) 0.0463(3) 0.078(2) Uani 1 1 d . . . . .
O30 O 0.0232(4) 1.1309(3) 0.0531(2) 0.0660(18) Uani 1 1 d . . . . .
O31 O 0.2242(4) 0.9496(3) 0.05675(19) 0.0584(16) Uani 1 1 d . . . . .
O32 O 0.3155(4) 0.8341(3) 0.0483(2) 0.0666(19) Uani 1 1 d . . . . .
O35 O 0.2677(4) 0.9872(3) -0.0139(2) 0.0613(17) Uani 1 1 d . . . . .
O36 O 0.3690(4) 0.8747(3) -0.0187(2) 0.0642(18) Uani 1 1 d . . . . .
O33 O -0.0581(4) 1.2696(3) -0.0219(3) 0.073(2) Uani 1 1 d . . . . .
O34 O 0.0697(4) 1.1682(3) -0.0171(2) 0.0652(18) Uani 1 1 d . . . . .
O37 O 0.7844(11) 0.8726(9) 0.8425(5) 0.192(8) Uani 1 1 d . . . . .
O38 O 0.7085(16) 0.8221(9) 0.8315(7) 0.254(11) Uani 1 1 d . U . . .
O39 O 0.7373(12) 0.8940(8) 0.7809(5) 0.192(8) Uani 1 1 d . . . . .
O40 O 0.4164(11) 0.5578(9) 0.4465(4) 0.205(9) Uani 1 1 d D . . . .
O41 O 0.4655(9) 0.5390(11) 0.5066(7) 0.243(12) Uani 1 1 d D . . . .
O42 O 0.3973(17) 0.4783(7) 0.4962(7) 0.258(13) Uani 1 1 d D . . . .
O43 O 0.7108(11) 0.6529(9) 0.0830(5) 0.228(10) Uani 1 1 d D U . . .
O44 O 0.8110(10) 0.6950(9) 0.0866(6) 0.212(9) Uani 1 1 d D U . . .
O45 O 0.8138(17) 0.6450(15) 0.0322(7) 0.326(14) Uani 1 1 d D U . . .
O46 O 0.2263(13) 0.2398(10) 0.6262(5) 0.236(12) Uani 1 1 d D . . . .
O47 O 0.1764(15) 0.1630(9) 0.6746(7) 0.339(17) Uani 1 1 d D U . . .
O48 O 0.143(3) 0.194(2) 0.6089(9) 0.53(3) Uiso 1 1 d D . . . .
S1 S 0.7279(6) 0.8720(3) 0.82111(18) 0.166(3) Uani 1 1 d . . . . .
S2 S 0.4059(5) 0.5353(3) 0.4862(2) 0.158(3) Uani 1 1 d D . . . .
S3 S 0.7769(6) 0.6590(6) 0.0707(3) 0.236(5) Uani 1 1 d D . . . .
S4 S 0.1785(5) 0.2091(3) 0.6414(2) 0.162(2) Uani 1 1 d D . . . .
F1 F 0.6444(10) 0.9159(8) 0.8800(6) 0.210(7) Uani 1 1 d . . . . .
F2 F 0.6601(8) 0.9813(7) 0.8329(5) 0.190(7) Uani 1 1 d . . . . .
F3 F 0.5864(11) 0.9383(11) 0.8264(7) 0.275(11) Uani 1 1 d . U . . .
F4 F 0.3161(14) 0.5703(12) 0.5387(7) 0.273(11) Uani 1 1 d D . . . .
F5 F 0.3215(14) 0.6470(12) 0.4950(9) 0.291(14) Uani 1 1 d . . . . .
F6 F 0.2658(14) 0.5903(13) 0.4856(7) 0.309(15) Uani 1 1 d . . . . .
F7 F 0.7934(12) 0.5502(10) 0.0692(7) 0.284(11) Uani 1 1 d . U . . .
F8 F 0.9043(13) 0.5630(11) 0.0862(9) 0.322(13) Uani 1 1 d D U . . .
F9 F 0.8143(12) 0.5776(11) 0.1286(8) 0.273(10) Uani 1 1 d . U . . .
F10 F 0.1167(12) 0.3050(10) 0.6750(7) 0.280(10) Uani 1 1 d D U . . .
F11 F 0.0850(16) 0.3071(12) 0.6181(6) 0.348(13) Uani 1 1 d D U . . .
F12 F 0.0344(13) 0.2618(10) 0.6655(7) 0.317(12) Uani 1 1 d D U . . .
C1 C 0.4098(5) 0.3862(5) 0.1251(3) 0.056(2) Uani 1 1 d . . . . .
C2 C 0.3491(4) 0.4479(4) 0.1261(2) 0.0456(18) Uani 1 1 d . . . . .
C3 C 0.3711(5) 0.4939(4) 0.1329(3) 0.053(2) Uani 1 1 d . . . . .
C4 C 0.4461(4) 0.4884(4) 0.1368(2) 0.0423(17) Uani 1 1 d . . . . .
C5 C 0.5051(4) 0.4262(4) 0.1369(3) 0.0474(18) Uani 1 1 d . . . . .
C6 C 0.4838(5) 0.3793(4) 0.1327(3) 0.060(2) Uani 1 1 d . . . . .
C7 C 0.2054(8) 0.1831(5) 0.5332(3) 0.074(3) Uani 1 1 d . . . . .
C8 C 0.1510(8) 0.2458(5) 0.5308(3) 0.072(3) Uani 1 1 d . . . . .
C9 C 0.1769(6) 0.2931(5) 0.5351(3) 0.066(3) Uani 1 1 d . . . . .
C10 C 0.2519(6) 0.2804(4) 0.5433(3) 0.058(2) Uani 1 1 d . . . . .
C11 C 0.3070(6) 0.2174(4) 0.5432(3) 0.059(2) Uani 1 1 d . . . . .
C12 C 0.2830(8) 0.1724(5) 0.5375(3) 0.071(3) Uani 1 1 d . . . . .
C13 C 0.3055(6) 0.2945(5) 0.1895(3) 0.064(3) Uani 1 1 d . . . . .
H13 H 0.3454 0.2678 0.1765 0.077 Uiso 1 1 calc R . . . .
C14 C 0.2932(5) 0.2810(5) 0.2280(3) 0.060(2) Uani 1 1 d . . . . .
C15 C 0.2329(5) 0.3147(4) 0.2470(3) 0.054(2) Uani 1 1 d . . . . .
H15 H 0.2234 0.3025 0.2736 0.065 Uiso 1 1 calc R . . . .
C16 C 0.1842(6) 0.3682(5) 0.2269(3) 0.062(2) Uani 1 1 d . . . . .
C17 C 0.2008(6) 0.3819(5) 0.1870(3) 0.056(2) Uani 1 1 d . . . . .
H17 H 0.1688 0.4171 0.1723 0.067 Uiso 1 1 calc R . . . .
C18 C 0.3426(6) 0.2248(6) 0.2523(3) 0.073(3) Uani 1 1 d . . . . .
C19 C 0.4168(7) 0.1996(7) 0.2392(4) 0.093(5) Uani 1 1 d . . . . .
H19 H 0.4334 0.2166 0.2152 0.112 Uiso 1 1 calc R . . . .
C20 C 0.4680(8) 0.1482(8) 0.2619(4) 0.099(5) Uani 1 1 d . U . . .
C21 C 0.5508(10) 0.1253(10) 0.2468(6) 0.129(8) Uani 1 1 d . . . . .
C22 C 0.5538(11) 0.0707(9) 0.2249(8) 0.167(11) Uani 1 1 d . . . . .
H22A H 0.5991 0.0605 0.2083 0.251 Uiso 1 1 calc GR . . . .
H22B H 0.5095 0.0822 0.2088 0.251 Uiso 1 1 calc GR . . . .
H22C H 0.5546 0.0359 0.2442 0.251 Uiso 1 1 calc GR . . . .
C23 C 0.5769(11) 0.1716(12) 0.2167(6) 0.170(12) Uani 1 1 d . . . . .
H23A H 0.5742 0.2061 0.2292 0.256 Uiso 1 1 calc GR . . . .
H23B H 0.5441 0.1851 0.1942 0.256 Uiso 1 1 calc GR . . . .
H23C H 0.6285 0.1524 0.2080 0.256 Uiso 1 1 calc GR . . . .
C24 C 0.5988(10) 0.1087(12) 0.2809(6) 0.154(10) Uani 1 1 d . . . . .
H24A H 0.5875 0.1430 0.2950 0.231 Uiso 1 1 calc GR . . . .
H24B H 0.6515 0.0966 0.2723 0.231 Uiso 1 1 calc GR . . . .
H24C H 0.5893 0.0753 0.2981 0.231 Uiso 1 1 calc GR . . . .
C25 C 0.1176(6) 0.4069(5) 0.2476(3) 0.059(2) Uani 1 1 d . . . . .
C26 C 0.0840(9) 0.4652(7) 0.2333(4) 0.098(5) Uani 1 1 d . . . . .
H26 H 0.1015 0.4800 0.2088 0.118 Uiso 1 1 calc R . . . .
C27 C 0.0264(12) 0.5046(8) 0.2517(5) 0.134(7) Uani 1 1 d D U . . .
C28 C -0.0159(12) 0.5674(9) 0.2335(6) 0.185(11) Uani 1 1 d D U . . .
C29 C -0.087(2) 0.569(2) 0.2155(16) 0.42(6) Uani 0.629(11) 1 d D U P A 1
H29A H -0.1140 0.6096 0.2037 0.623 Uiso 0.629(11) 1 calc R . P A 1
H29B H -0.0736 0.5422 0.1954 0.623 Uiso 0.629(11) 1 calc R . P A 1
H29C H -0.1184 0.5549 0.2357 0.623 Uiso 0.629(11) 1 calc R . P A 1
C30 C -0.032(3) 0.6109(15) 0.2626(10) 0.186(18) Uani 0.629(11) 1 d D U P A 1
H30A H -0.0592 0.6513 0.2500 0.279 Uiso 0.629(11) 1 calc R . P A 1
H30B H -0.0619 0.5991 0.2844 0.279 Uiso 0.629(11) 1 calc R . P A 1
H30C H 0.0156 0.6104 0.2722 0.279 Uiso 0.629(11) 1 calc R . P A 1
C31 C 0.035(2) 0.5857(16) 0.2011(9) 0.194(19) Uani 0.629(11) 1 d D U P A 1
H31A H 0.0540 0.5545 0.1843 0.291 Uiso 0.629(11) 1 calc GR . P A 1
H31B H 0.0778 0.5907 0.2129 0.291 Uiso 0.629(11) 1 calc GR . P A 1
H31C H 0.0070 0.6236 0.1856 0.291 Uiso 0.629(11) 1 calc GR . P A 1
C29' C -0.0961(15) 0.5939(17) 0.2489(11) 0.140(19) Uani 0.371(11) 1 d D U P A 2
H29D H -0.1188 0.6346 0.2353 0.210 Uiso 0.371(11) 1 calc R . P A 2
H29E H -0.1255 0.5690 0.2443 0.210 Uiso 0.371(11) 1 calc R . P A 2
H29F H -0.0955 0.5949 0.2769 0.210 Uiso 0.371(11) 1 calc R . P A 2
C30' C 0.034(2) 0.5940(18) 0.2506(11) 0.145(19) Uani 0.371(11) 1 d D U P A 2
H30D H 0.0171 0.6374 0.2425 0.217 Uiso 0.371(11) 1 calc R . P A 2
H30E H 0.0317 0.5854 0.2791 0.217 Uiso 0.371(11) 1 calc R . P A 2
H30F H 0.0857 0.5764 0.2414 0.217 Uiso 0.371(11) 1 calc R . P A 2
C31' C -0.0180(17) 0.5809(15) 0.1894(6) 0.076(8) Uani 0.371(11) 1 d D U P A 2
H31D H 0.0253 0.5927 0.1794 0.114 Uiso 0.371(11) 1 calc GR . P A 2
H31E H -0.0642 0.6136 0.1816 0.114 Uiso 0.371(11) 1 calc GR . P A 2
H31F H -0.0165 0.5451 0.1788 0.114 Uiso 0.371(11) 1 calc GR . P A 2
C32 C 0.1545(10) 0.1624(6) 0.4433(3) 0.093(5) Uani 1 1 d . . . . .
H32 H 0.1796 0.1237 0.4567 0.111 Uiso 1 1 calc R . . . .
C33 C 0.1864(8) 0.1800(5) 0.4057(3) 0.076(3) Uani 1 1 d . . . . .
C34 C 0.1446(7) 0.2360(6) 0.3868(3) 0.073(3) Uani 1 1 d . . . . .
H34 H 0.1595 0.2498 0.3614 0.087 Uiso 1 1 calc R . . . .
C35 C 0.0798(6) 0.2727(6) 0.4051(3) 0.077(3) Uani 1 1 d . . . . .
C36 C 0.0578(8) 0.2498(8) 0.4410(4) 0.088(4) Uani 1 1 d . . . . .
H36 H 0.0142 0.2738 0.4532 0.106 Uiso 1 1 calc R . . . .
C37 C 0.2588(8) 0.1443(5) 0.3874(3) 0.077(3) Uani 1 1 d . . . . .
C38 C 0.3044(11) 0.0941(6) 0.4071(4) 0.109(6) Uani 1 1 d . . . . .
H38 H 0.2882 0.0809 0.4324 0.131 Uiso 1 1 calc R . . . .
C39 C 0.3764(11) 0.0584(6) 0.3929(4) 0.120(6) Uani 1 1 d D U . . .
C40 C 0.4033(12) -0.0043(8) 0.4170(5) 0.090(7) Uani 0.600(7) 1 d D U P B 1
C41 C 0.4224(18) 0.0067(13) 0.4566(7) 0.126(12) Uani 0.600(7) 1 d D U P B 1
H41A H 0.4479 -0.0318 0.4724 0.189 Uiso 0.600(7) 1 calc GR . P B 1
H41B H 0.3762 0.0277 0.4702 0.189 Uiso 0.600(7) 1 calc GR . P B 1
H41C H 0.4553 0.0310 0.4526 0.189 Uiso 0.600(7) 1 calc GR . P B 1
C42 C 0.3565(13) -0.0451(10) 0.4226(9) 0.116(10) Uani 0.600(7) 1 d D U P B 1
H42A H 0.3488 -0.0548 0.3972 0.175 Uiso 0.600(7) 1 calc GR . P B 1
H42B H 0.3079 -0.0249 0.4344 0.175 Uiso 0.600(7) 1 calc GR . P B 1
H42C H 0.3824 -0.0821 0.4396 0.175 Uiso 0.600(7) 1 calc GR . P B 1
C43 C 0.4754(13) -0.0374(13) 0.3963(7) 0.097(10) Uani 0.600(7) 1 d D U P B 1
H43A H 0.5080 -0.0687 0.4150 0.146 Uiso 0.600(7) 1 calc GR . P B 1
H43B H 0.5010 -0.0091 0.3850 0.146 Uiso 0.600(7) 1 calc GR . P B 1
H43C H 0.4635 -0.0557 0.3755 0.146 Uiso 0.600(7) 1 calc GR . P B 1
C40' C 0.4487(13) 0.0121(11) 0.4159(7) 0.065(6) Uani 0.400(7) 1 d D . P B 2
C41' C 0.494(2) 0.0395(16) 0.4364(11) 0.128(15) Uani 0.400(7) 1 d D U P B 2
H41D H 0.5198 0.0107 0.4584 0.191 Uiso 0.400(7) 1 calc GR . P B 2
H41E H 0.4609 0.0759 0.4458 0.191 Uiso 0.400(7) 1 calc GR . P B 2
H41F H 0.5316 0.0494 0.4180 0.191 Uiso 0.400(7) 1 calc GR . P B 2
C42' C 0.416(2) -0.026(2) 0.4465(13) 0.20(3) Uani 0.400(7) 1 d D U P B 2
H42D H 0.4567 -0.0584 0.4601 0.297 Uiso 0.400(7) 1 calc GR . P B 2
H42E H 0.3849 -0.0426 0.4339 0.297 Uiso 0.400(7) 1 calc GR . P B 2
H42F H 0.3852 -0.0008 0.4653 0.297 Uiso 0.400(7) 1 calc GR . P B 2
C43' C 0.500(3) -0.028(2) 0.3879(14) 0.112(19) Uani 0.400(7) 1 d D U P B 2
H43D H 0.5278 -0.0046 0.3710 0.168 Uiso 0.400(7) 1 calc GR . P B 2
H43E H 0.4707 -0.0410 0.3720 0.168 Uiso 0.400(7) 1 calc GR . P B 2
H43F H 0.5362 -0.0624 0.4029 0.168 Uiso 0.400(7) 1 calc GR . P B 2
C44 C 0.0378(6) 0.3303(7) 0.3833(3) 0.081(4) Uani 1 1 d . . . . .
C45 C -0.0170(7) 0.3694(8) 0.4022(4) 0.111(6) Uani 1 1 d . . . . .
H45 H -0.0234 0.3577 0.4293 0.133 Uiso 1 1 calc R . . . .
C46 C -0.0635(8) 0.4234(9) 0.3866(4) 0.124(8) Uani 1 1 d D . . . .
C47 C -0.1372(13) 0.4493(10) 0.4070(7) 0.095(8) Uani 0.629(11) 1 d D . P A 1
C48 C -0.1190(15) 0.5040(10) 0.4122(8) 0.098(8) Uani 0.629(11) 1 d D . P A 1
H48A H -0.0908 0.5153 0.3893 0.147 Uiso 0.629(11) 1 calc GR . P A 1
H48B H -0.0888 0.4952 0.4355 0.147 Uiso 0.629(11) 1 calc GR . P A 1
H48C H -0.1655 0.5370 0.4153 0.147 Uiso 0.629(11) 1 calc GR . P A 1
C49 C -0.1991(14) 0.4653(16) 0.3786(8) 0.152(15) Uani 0.629(11) 1 d D . P A 1
H49A H -0.2268 0.5083 0.3764 0.229 Uiso 0.629(11) 1 calc GR . P A 1
H49B H -0.2331 0.4428 0.3879 0.229 Uiso 0.629(11) 1 calc GR . P A 1
H49C H -0.1777 0.4552 0.3531 0.229 Uiso 0.629(11) 1 calc GR . P A 1
C50 C -0.1549(15) 0.4141(12) 0.4444(7) 0.135(12) Uani 0.629(11) 1 d D . P A 1
H50A H -0.2084 0.4307 0.4510 0.202 Uiso 0.629(11) 1 calc GR . P A 1
H50B H -0.1253 0.4168 0.4655 0.202 Uiso 0.629(11) 1 calc GR . P A 1
H50C H -0.1427 0.3721 0.4409 0.202 Uiso 0.629(11) 1 calc GR . P A 1
C47' C -0.1193(14) 0.4747(11) 0.4064(7) 0.070(9) Uani 0.371(11) 1 d D U P A 2
C48' C -0.1911(16) 0.4571(17) 0.4091(15) 0.118(17) Uani 0.371(11) 1 d D U P A 2
H48D H -0.2314 0.4895 0.3951 0.177 Uiso 0.371(11) 1 calc GR . P A 2
H48E H -0.2064 0.4500 0.4365 0.177 Uiso 0.371(11) 1 calc GR . P A 2
H48F H -0.1810 0.4205 0.3974 0.177 Uiso 0.371(11) 1 calc GR . P A 2
C49' C -0.100(2) 0.4725(18) 0.4494(8) 0.133(18) Uani 0.371(11) 1 d D U P A 2
H49D H -0.1458 0.4793 0.4657 0.200 Uiso 0.371(11) 1 calc GR . P A 2
H49E H -0.0781 0.5036 0.4510 0.200 Uiso 0.371(11) 1 calc GR . P A 2
H49F H -0.0641 0.4331 0.4586 0.200 Uiso 0.371(11) 1 calc GR . P A 2
C50' C -0.1436(15) 0.5421(12) 0.3886(8) 0.073(9) Uani 0.371(11) 1 d D U P A 2
H50D H -0.1005 0.5561 0.3870 0.109 Uiso 0.371(11) 1 calc GR . P A 2
H50E H -0.1830 0.5655 0.4052 0.109 Uiso 0.371(11) 1 calc GR . P A 2
H50F H -0.1628 0.5471 0.3625 0.109 Uiso 0.371(11) 1 calc GR . P A 2
C51 C 0.5950(5) 0.4259(4) 0.2271(3) 0.054(2) Uani 1 1 d . . . . .
H51 H 0.6392 0.4027 0.2148 0.065 Uiso 1 1 calc R . . . .
C52 C 0.5720(6) 0.4029(5) 0.2632(3) 0.065(3) Uani 1 1 d . . . . .
C53 C 0.5087(5) 0.4362(4) 0.2817(3) 0.060(2) Uani 1 1 d . . . . .
H53 H 0.4929 0.4210 0.3065 0.072 Uiso 1 1 calc R . . . .
C54 C 0.4688(5) 0.4921(4) 0.2633(3) 0.054(2) Uani 1 1 d . . . . .
C55 C 0.4943(5) 0.5119(4) 0.2270(3) 0.0486(19) Uani 1 1 d . . . . .
H55 H 0.4664 0.5503 0.2141 0.058 Uiso 1 1 calc R . . . .
C56 C 0.6172(8) 0.3402(6) 0.2839(3) 0.086(4) Uani 1 1 d . . . . .
C57 C 0.6768(9) 0.3054(6) 0.2647(4) 0.102(5) Uani 0.600(7) 1 d . U P C 1
H57 H 0.7008 0.3228 0.2435 0.122 Uiso 0.600(7) 1 calc R . P C 1
C58 C 0.7040(12) 0.2387(10) 0.2777(6) 0.079(6) Uani 0.600(7) 1 d D U P C 1
C59 C 0.7670(14) 0.2018(10) 0.2542(6) 0.122(10) Uani 0.600(7) 1 d D U P C 1
C60 C 0.8347(15) 0.2224(14) 0.2574(10) 0.141(15) Uani 0.600(7) 1 d D U P C 1
H60A H 0.8207 0.2544 0.2737 0.211 Uiso 0.600(7) 1 calc GR . P C 1
H60B H 0.8501 0.2373 0.2314 0.211 Uiso 0.600(7) 1 calc GR . P C 1
H60C H 0.8763 0.1885 0.2692 0.211 Uiso 0.600(7) 1 calc GR . P C 1
C61 C 0.7889(15) 0.1361(9) 0.2697(7) 0.096(8) Uani 0.600(7) 1 d D U P C 1
H61A H 0.8287 0.1134 0.2530 0.144 Uiso 0.600(7) 1 calc GR . P C 1
H61B H 0.7453 0.1229 0.2699 0.144 Uiso 0.600(7) 1 calc GR . P C 1
H61C H 0.8070 0.1292 0.2963 0.144 Uiso 0.600(7) 1 calc GR . P C 1
C62 C 0.7458(19) 0.2117(14) 0.2113(6) 0.144(13) Uani 0.600(7) 1 d D U P C 1
H62A H 0.7763 0.1771 0.1990 0.215 Uiso 0.600(7) 1 calc GR . P C 1
H62B H 0.7549 0.2479 0.1978 0.215 Uiso 0.600(7) 1 calc GR . P C 1
H62C H 0.6927 0.2164 0.2098 0.215 Uiso 0.600(7) 1 calc GR . P C 1
O17 O 0.7048(13) 0.2224(16) 0.3127(10) 0.099(9) Uani 0.600(7) 1 d . U P C 1
C57' C 0.6768(9) 0.3054(6) 0.2647(4) 0.102(5) Uani 0.400(7) 1 d . U P C 2
H57' H 0.6780 0.3154 0.2372 0.122 Uiso 0.400(7) 1 calc R . P C 2
C58' C 0.7396(13) 0.2540(10) 0.2817(8) 0.052(5) Uani 0.400(7) 1 d D U P C 2
C59' C 0.8046(11) 0.2168(10) 0.2588(6) 0.052(6) Uani 0.400(7) 1 d D U P C 2
C60' C 0.793(2) 0.1590(13) 0.2533(10) 0.103(13) Uani 0.400(7) 1 d D U P C 2
H60D H 0.7840 0.1599 0.2258 0.154 Uiso 0.400(7) 1 calc GR . P C 2
H60E H 0.7488 0.1551 0.2690 0.154 Uiso 0.400(7) 1 calc GR . P C 2
H60F H 0.8369 0.1249 0.2617 0.154 Uiso 0.400(7) 1 calc GR . P C 2
C61' C 0.8712(13) 0.2019(16) 0.2856(8) 0.086(10) Uani 0.400(7) 1 d D U P C 2
H61D H 0.8623 0.1786 0.3101 0.129 Uiso 0.400(7) 1 calc GR . P C 2
H61E H 0.8767 0.2391 0.2908 0.129 Uiso 0.400(7) 1 calc GR . P C 2
H61F H 0.9170 0.1785 0.2728 0.129 Uiso 0.400(7) 1 calc GR . P C 2
C62' C 0.8187(17) 0.2523(14) 0.2207(8) 0.101(12) Uani 0.400(7) 1 d D U P C 2
H62D H 0.8714 0.2358 0.2126 0.152 Uiso 0.400(7) 1 calc GR . P C 2
H62E H 0.8072 0.2943 0.2241 0.152 Uiso 0.400(7) 1 calc GR . P C 2
H62F H 0.7867 0.2498 0.2007 0.152 Uiso 0.400(7) 1 calc GR . P C 2
O17' O 0.7327(17) 0.230(2) 0.3138(15) 0.086(11) Uani 0.400(7) 1 d . . P C 2
C63 C 0.3969(5) 0.5259(4) 0.2834(3) 0.052(2) Uani 1 1 d . . . . .
C64 C 0.3484(6) 0.5757(5) 0.2645(3) 0.069(3) Uani 1 1 d . . . . .
H64 H 0.3629 0.5896 0.2390 0.083 Uiso 1 1 calc R . . . .
C65 C 0.2813(7) 0.6079(6) 0.2782(3) 0.082(4) Uani 1 1 d . U . . .
C66 C 0.2319(8) 0.6661(7) 0.2553(4) 0.111(6) Uani 1 1 d D U . . .
C67 C 0.1678(9) 0.6993(7) 0.2799(4) 0.103(5) Uani 1 1 d . . . . .
H67A H 0.1371 0.6741 0.2894 0.155 Uiso 1 1 calc GR . . . .
H67B H 0.1372 0.7362 0.2644 0.155 Uiso 1 1 calc GR . . . .
H67C H 0.1874 0.7093 0.3022 0.155 Uiso 1 1 calc GR . . . .
C68 C 0.2772(12) 0.7109(8) 0.2455(9) 0.201(13) Uani 1 1 d D U . . .
H68A H 0.3075 0.7078 0.2678 0.301 Uiso 1 1 calc GR . . . .
H68B H 0.2422 0.7519 0.2400 0.301 Uiso 1 1 calc GR . . . .
H68C H 0.3099 0.7010 0.2227 0.301 Uiso 1 1 calc GR . . . .
C69 C 0.2055(15) 0.6504(13) 0.2212(6) 0.245(16) Uani 1 1 d . U . . .
H69A H 0.2141 0.6760 0.1977 0.367 Uiso 1 1 calc GR . . . .
H69B H 0.1518 0.6563 0.2245 0.367 Uiso 1 1 calc GR . . . .
H69C H 0.2329 0.6083 0.2187 0.367 Uiso 1 1 calc GR . . . .
C70 C 0.4632(7) 0.2799(4) 0.4799(3) 0.063(3) Uani 1 1 d . . . . .
H70 H 0.4956 0.2438 0.4933 0.076 Uiso 1 1 calc R . . . .
C71 C 0.4771(7) 0.2960(4) 0.4407(3) 0.063(2) Uani 1 1 d . . . . .
C72 C 0.4299(5) 0.3492(4) 0.4221(3) 0.053(2) Uani 1 1 d . . . . .
H72 H 0.4399 0.3623 0.3956 0.063 Uiso 1 1 calc R . . . .
C73 C 0.3688(5) 0.3834(4) 0.4411(3) 0.054(2) Uani 1 1 d . . . . .
C74 C 0.3596(6) 0.3648(4) 0.4810(3) 0.056(2) Uani 1 1 d . . . . .
H74 H 0.3196 0.3894 0.4952 0.067 Uiso 1 1 calc R . . . .
C75 C 0.5442(8) 0.2589(6) 0.4190(3) 0.079(3) Uani 1 1 d . . . . .
C76 C 0.5797(11) 0.1995(8) 0.4311(5) 0.126(6) Uani 0.600(7) 1 d . U P C 1
H76 H 0.5784 0.1873 0.4584 0.151 Uiso 0.600(7) 1 calc R . P C 1
C77 C 0.6186(18) 0.1533(11) 0.4084(8) 0.101(7) Uani 0.600(7) 1 d D U P C 1
C78 C 0.6837(18) 0.0966(14) 0.4236(9) 0.240(18) Uani 0.600(7) 1 d D . P C 1
C79 C 0.6571(18) 0.0736(15) 0.4636(8) 0.146(13) Uani 0.600(7) 1 d D U P C 1
H79A H 0.6604 0.0988 0.4825 0.219 Uiso 0.600(7) 1 calc R . P C 1
H79B H 0.6051 0.0752 0.4623 0.219 Uiso 0.600(7) 1 calc R . P C 1
H79C H 0.6889 0.0322 0.4717 0.219 Uiso 0.600(7) 1 calc R . P C 1
C80 C 0.678(2) 0.0569(14) 0.3947(9) 0.146(14) Uani 0.600(7) 1 d D U P C 1
H80A H 0.7084 0.0153 0.4036 0.219 Uiso 0.600(7) 1 calc GR . P C 1
H80B H 0.6968 0.0701 0.3691 0.219 Uiso 0.600(7) 1 calc GR . P C 1
H80C H 0.6258 0.0596 0.3929 0.219 Uiso 0.600(7) 1 calc GR . P C 1
C81 C 0.767(2) 0.089(2) 0.4276(14) 0.24(2) Uani 0.600(7) 1 d D U P C 1
H81A H 0.7719 0.1142 0.4461 0.367 Uiso 0.600(7) 1 calc R . P C 1
H81B H 0.7951 0.0468 0.4371 0.367 Uiso 0.600(7) 1 calc R . P C 1
H81C H 0.7882 0.1006 0.4021 0.367 Uiso 0.600(7) 1 calc R . P C 1
O21 O 0.6550(15) 0.1741(8) 0.3804(6) 0.118(9) Uani 0.600(7) 1 d . . P C 1
C76' C 0.5797(11) 0.1995(8) 0.4311(5) 0.126(6) Uani 0.400(7) 1 d . . P C 2
H76' H 0.5550 0.1769 0.4484 0.151 Uiso 0.400(7) 1 calc R . P C 2
C77' C 0.6620(14) 0.1691(11) 0.4161(8) 0.065(7) Uani 0.400(7) 1 d D . P C 2
C78' C 0.6960(19) 0.1020(13) 0.4309(10) 0.240(18) Uani 0.400(7) 1 d D U P C 2
C79' C 0.7201(12) 0.0687(12) 0.4719(7) 0.062(6) Uani 0.400(7) 1 d D U P C 2
H79D H 0.6777 0.0801 0.4903 0.094 Uiso 0.400(7) 1 calc GR . P C 2
H79E H 0.7615 0.0795 0.4800 0.094 Uiso 0.400(7) 1 calc GR . P C 2
H79F H 0.7363 0.0255 0.4715 0.094 Uiso 0.400(7) 1 calc GR . P C 2
C80' C 0.6282(16) 0.0864(11) 0.4211(8) 0.068(7) Uani 0.400(7) 1 d D U P C 2
H80D H 0.5823 0.1202 0.4241 0.102 Uiso 0.400(7) 1 calc GR . P C 2
H80E H 0.6256 0.0509 0.4387 0.102 Uiso 0.400(7) 1 calc GR . P C 2
H80F H 0.6333 0.0782 0.3941 0.102 Uiso 0.400(7) 1 calc GR . P C 2
C81' C 0.761(2) 0.076(4) 0.4030(12) 0.24(2) Uani 0.400(7) 1 d D . P C 2
H81D H 0.8047 0.0862 0.4091 0.367 Uiso 0.400(7) 1 calc R . P C 2
H81E H 0.7737 0.0328 0.4059 0.367 Uiso 0.400(7) 1 calc R . P C 2
H81F H 0.7463 0.0938 0.3761 0.367 Uiso 0.400(7) 1 calc R . P C 2
O21' O 0.6933(13) 0.1885(11) 0.3848(9) 0.073(7) Uani 0.400(7) 1 d . . P C 2
C82 C 0.3195(6) 0.4407(5) 0.4193(3) 0.059(2) Uani 1 1 d . . . . .
C83 C 0.2457(6) 0.4660(6) 0.4316(3) 0.072(3) Uani 1 1 d . . . . .
H83 H 0.2284 0.4477 0.4550 0.087 Uiso 1 1 calc R . . . .
C84 C 0.1952(6) 0.5181(7) 0.4107(4) 0.092(5) Uani 1 1 d . . . . .
C85 C 0.1140(8) 0.5449(9) 0.4250(5) 0.123(8) Uani 1 1 d D . . . .
C86 C 0.0646(8) 0.5611(10) 0.3908(5) 0.125(7) Uani 1 1 d . . . . .
H86A H 0.0477 0.5275 0.3883 0.188 Uiso 1 1 calc GR . . . .
H86B H 0.0926 0.5700 0.3671 0.188 Uiso 1 1 calc GR . . . .
H86C H 0.0211 0.5964 0.3944 0.188 Uiso 1 1 calc GR . . . .
C87 C 0.0883(9) 0.5016(10) 0.4545(6) 0.149(9) Uani 1 1 d . U . . .
H87A H 0.0335 0.5150 0.4557 0.224 Uiso 1 1 calc GR . . . .
H87B H 0.1072 0.5004 0.4801 0.224 Uiso 1 1 calc GR . . . .
H87C H 0.1077 0.4616 0.4467 0.224 Uiso 1 1 calc GR . . . .
C88 C 0.1095(11) 0.6025(11) 0.4418(8) 0.175(11) Uani 1 1 d D U . . .
H88A H 0.0910 0.6375 0.4218 0.262 Uiso 1 1 calc GR . . . .
H88B H 0.1594 0.5993 0.4496 0.262 Uiso 1 1 calc GR . . . .
H88C H 0.0752 0.6069 0.4645 0.262 Uiso 1 1 calc GR . . . .
C89 C 0.2607(7) 0.3069(5) 0.0734(3) 0.065(2) Uani 1 1 d . . . . .
C90 C 0.1915(6) 0.3324(5) 0.0931(3) 0.061(2) Uani 1 1 d . . . . .
C91 C 0.1657(6) 0.3968(5) 0.0818(3) 0.065(3) Uani 1 1 d . . . . .
C92 C 0.2214(7) 0.4105(6) 0.0527(3) 0.065(3) Uani 1 1 d . . . . .
C93 C 0.2809(7) 0.3549(6) 0.0497(4) 0.075(3) Uani 1 1 d . . . . .
C94 C 0.3072(9) 0.2416(7) 0.0774(5) 0.101(5) Uani 1 1 d . . . . .
H94A H 0.3195 0.2266 0.1048 0.152 Uiso 1 1 calc GR . . . .
H94B H 0.3535 0.2367 0.0618 0.152 Uiso 1 1 calc GR . . . .
H94C H 0.2788 0.2191 0.0682 0.152 Uiso 1 1 calc GR . . . .
C95 C 0.1538(8) 0.2995(7) 0.1200(4) 0.088(4) Uani 1 1 d . . . . .
H95A H 0.1026 0.3254 0.1250 0.132 Uiso 1 1 calc GR . . . .
H95B H 0.1808 0.2856 0.1445 0.132 Uiso 1 1 calc GR . . . .
H95C H 0.1521 0.2649 0.1089 0.132 Uiso 1 1 calc GR . . . .
C96 C 0.0975(7) 0.4391(8) 0.0926(5) 0.103(5) Uani 1 1 d . . . . .
H96A H 0.0667 0.4573 0.0696 0.155 Uiso 1 1 calc GR . . . .
H96B H 0.1081 0.4703 0.1038 0.155 Uiso 1 1 calc GR . . . .
H96C H 0.0705 0.4189 0.1119 0.155 Uiso 1 1 calc GR . . . .
C97 C 0.2212(9) 0.4676(6) 0.0318(4) 0.096(4) Uani 1 1 d . . . . .
H97A H 0.2706 0.4716 0.0333 0.143 Uiso 1 1 calc GR . . . .
H97B H 0.1832 0.4999 0.0433 0.143 Uiso 1 1 calc GR . . . .
H97C H 0.2098 0.4701 0.0044 0.143 Uiso 1 1 calc GR . . . .
C98 C 0.3464(9) 0.3476(8) 0.0221(4) 0.096(4) Uani 1 1 d . . . . .
H98A H 0.3310 0.3473 -0.0041 0.144 Uiso 1 1 calc GR . . . .
H98B H 0.3859 0.3097 0.0306 0.144 Uiso 1 1 calc GR . . . .
H98C H 0.3655 0.3809 0.0217 0.144 Uiso 1 1 calc GR . . . .
C99 C 0.6127(5) 0.5643(4) 0.1033(3) 0.055(2) Uani 1 1 d . . . . .
C100 C 0.6155(6) 0.5842(4) 0.1398(3) 0.059(2) Uani 1 1 d . . . . .
C101 C 0.6716(6) 0.5381(5) 0.1627(3) 0.062(2) Uani 1 1 d . . . . .
C102 C 0.7042(4) 0.4899(4) 0.1421(3) 0.054(2) Uani 1 1 d . . . . .
C103 C 0.6683(5) 0.5063(4) 0.1037(3) 0.055(2) Uani 1 1 d . . . . .
C104 C 0.5633(6) 0.5970(5) 0.0710(3) 0.068(3) Uani 1 1 d . . . . .
H10A H 0.5120 0.5979 0.0781 0.103 Uiso 1 1 calc GR . . . .
H10B H 0.5804 0.5770 0.0479 0.103 Uiso 1 1 calc GR . . . .
H10C H 0.5646 0.6381 0.0653 0.103 Uiso 1 1 calc GR . . . .
C105 C 0.5684(9) 0.6445(5) 0.1509(5) 0.091(4) Uani 1 1 d . . . . .
H10D H 0.5855 0.6758 0.1357 0.136 Uiso 1 1 calc GR . . . .
H10E H 0.5733 0.6444 0.1787 0.136 Uiso 1 1 calc GR . . . .
H10F H 0.5158 0.6522 0.1453 0.136 Uiso 1 1 calc GR . . . .
C106 C 0.6943(8) 0.5420(6) 0.2026(3) 0.078(3) Uani 1 1 d . . . . .
H10G H 0.7064 0.5026 0.2186 0.117 Uiso 1 1 calc GR . . . .
H10H H 0.6529 0.5709 0.2150 0.117 Uiso 1 1 calc GR . . . .
H10I H 0.7383 0.5550 0.2001 0.117 Uiso 1 1 calc GR . . . .
C107 C 0.7641(7) 0.4304(7) 0.1548(5) 0.097(5) Uani 1 1 d . . . . .
H10J H 0.8072 0.4251 0.1367 0.146 Uiso 1 1 calc GR . . . .
H10K H 0.7439 0.3978 0.1549 0.146 Uiso 1 1 calc GR . . . .
H10L H 0.7799 0.4298 0.1811 0.146 Uiso 1 1 calc GR . . . .
C108 C 0.6846(7) 0.4695(6) 0.0731(4) 0.077(3) Uani 1 1 d . . . . .
H10M H 0.6396 0.4791 0.0578 0.115 Uiso 1 1 calc GR . . . .
H10N H 0.7003 0.4272 0.0846 0.115 Uiso 1 1 calc GR . . . .
H10O H 0.7249 0.4772 0.0561 0.115 Uiso 1 1 calc GR . . . .
C109 C -0.0220(12) 0.1790(10) 0.5643(5) 0.115(6) Uani 1 1 d . . . . .
C110 C -0.0606(12) 0.1978(11) 0.5257(5) 0.121(7) Uani 1 1 d . . . . .
C111 C -0.0290(11) 0.1465(9) 0.5063(5) 0.108(5) Uani 1 1 d . U . . .
C112 C 0.0237(12) 0.1000(9) 0.5283(5) 0.118(7) Uani 1 1 d . . . . .
C113 C 0.0274(12) 0.1208(10) 0.5643(4) 0.109(6) Uani 1 1 d . . . . .
C114 C -0.0324(10) 0.2185(10) 0.5955(5) 0.122(7) Uani 1 1 d . . . . .
H11A H 0.0041 0.1980 0.6159 0.183 Uiso 1 1 calc GR . . . .
H11B H -0.0832 0.2270 0.6067 0.183 Uiso 1 1 calc GR . . . .
H11C H -0.0247 0.2562 0.5840 0.183 Uiso 1 1 calc GR . . . .
C115 C -0.1131(12) 0.2556(10) 0.5150(6) 0.138(8) Uani 1 1 d . . . . .
H11D H -0.1293 0.2591 0.4884 0.207 Uiso 1 1 calc GR . . . .
H11E H -0.0896 0.2859 0.5162 0.207 Uiso 1 1 calc GR . . . .
H11F H -0.1565 0.2619 0.5329 0.207 Uiso 1 1 calc GR . . . .
C116 C -0.0502(13) 0.1424(12) 0.4667(5) 0.150(9) Uani 1 1 d . . . . .
H11G H -0.0106 0.1103 0.4557 0.225 Uiso 1 1 calc GR . . . .
H11H H -0.0567 0.1805 0.4498 0.225 Uiso 1 1 calc GR . . . .
H11I H -0.0972 0.1335 0.4686 0.225 Uiso 1 1 calc GR . . . .
C117 C 0.0709(14) 0.0393(9) 0.5181(6) 0.143(9) Uani 1 1 d . . . . .
H11J H 0.0454 0.0101 0.5275 0.214 Uiso 1 1 calc GR . . . .
H11K H 0.1196 0.0266 0.5304 0.214 Uiso 1 1 calc GR . . . .
H11L H 0.0782 0.0418 0.4898 0.214 Uiso 1 1 calc GR . . . .
C118 C 0.0833(12) 0.0817(9) 0.5973(5) 0.132(8) Uani 1 1 d . . . . .
H11M H 0.0859 0.1069 0.6163 0.198 Uiso 1 1 calc GR . . . .
H11N H 0.1332 0.0645 0.5857 0.198 Uiso 1 1 calc GR . . . .
H11O H 0.0656 0.0494 0.6103 0.198 Uiso 1 1 calc GR . . . .
C119 C 0.4160(6) 0.3515(5) 0.5909(3) 0.060(2) Uani 1 1 d . . . . .
C120 C 0.3863(8) 0.3149(6) 0.6180(4) 0.076(3) Uani 1 1 d . . . . .
C121 C 0.4297(11) 0.2566(6) 0.6181(3) 0.098(5) Uani 1 1 d . . . . .
C122 C 0.4926(9) 0.2557(6) 0.5917(4) 0.097(5) Uani 1 1 d D . . . .
C123 C 0.4832(7) 0.3164(7) 0.5763(4) 0.082(3) Uani 1 1 d . . . . .
C124 C 0.3829(12) 0.4202(6) 0.5816(6) 0.125(7) Uani 1 1 d . . . . .
H12A H 0.3900 0.4381 0.6038 0.187 Uiso 1 1 calc GR . . . .
H12B H 0.3293 0.4319 0.5767 0.187 Uiso 1 1 calc GR . . . .
H12C H 0.4085 0.4342 0.5585 0.187 Uiso 1 1 calc GR . . . .
C125 C 0.3149(10) 0.3361(9) 0.6401(6) 0.124(7) Uani 1 1 d . . . . .
H12D H 0.2805 0.3165 0.6337 0.186 Uiso 1 1 calc GR . . . .
H12E H 0.2925 0.3795 0.6333 0.186 Uiso 1 1 calc GR . . . .
H12F H 0.3246 0.3262 0.6681 0.186 Uiso 1 1 calc GR . . . .
C126 C 0.4077(14) 0.2038(9) 0.6419(5) 0.149(8) Uani 1 1 d . U . . .
H12G H 0.3995 0.2096 0.6693 0.224 Uiso 1 1 calc GR . . . .
H12H H 0.4482 0.1660 0.6397 0.224 Uiso 1 1 calc GR . . . .
H12I H 0.3617 0.2026 0.6316 0.224 Uiso 1 1 calc GR . . . .
C127 C 0.5441(15) 0.1925(10) 0.5873(8) 0.210(13) Uani 1 1 d D U . . .
H12J H 0.5141 0.1684 0.5823 0.315 Uiso 1 1 calc GR . . . .
H12K H 0.5719 0.1743 0.6113 0.315 Uiso 1 1 calc GR . . . .
H12L H 0.5795 0.1943 0.5655 0.315 Uiso 1 1 calc GR . . . .
C128 C 0.5350(9) 0.3380(11) 0.5471(6) 0.141(8) Uani 1 1 d . U . . .
H12M H 0.5058 0.3653 0.5255 0.211 Uiso 1 1 calc GR . . . .
H12N H 0.5721 0.3036 0.5370 0.211 Uiso 1 1 calc GR . . . .
H12O H 0.5608 0.3589 0.5599 0.211 Uiso 1 1 calc GR . . . .
Rh5 Rh 0.05201(4) 0.96437(4) 0.22635(2) 0.0546(2) Uani 1 1 d . . . . .
Rh6 Rh -0.27275(4) 0.84329(3) 0.18247(2) 0.0547(2) Uani 1 1 d . . . . .
Cu5 Cu -0.01553(8) 1.20128(6) 0.01629(5) 0.0635(4) Uani 1 1 d . . . . .
Cu6 Cu 0.30005(8) 0.91264(6) 0.01987(4) 0.0572(4) Uani 1 1 d . . . . .
Cl5 Cl -0.22482(13) 1.03754(10) 0.19415(10) 0.0714(7) Uani 1 1 d . . . . .
Cl6 Cl 0.00740(18) 0.77531(12) 0.20098(13) 0.0977(12) Uani 1 1 d . . . . .
N5 N 0.0659(5) 0.9873(4) 0.1660(2) 0.0563(18) Uani 1 1 d . . . . .
N6 N 0.2399(5) 1.1344(3) -0.1242(2) 0.0542(19) Uani 1 1 d . . . . .
C129 C -0.0317(5) 0.8927(4) 0.2077(3) 0.0460(18) Uani 1 1 d . . . . .
C130 C -0.0892(4) 0.9552(4) 0.2080(2) 0.0421(16) Uani 1 1 d . . . . .
C131 C -0.1619(5) 0.9650(4) 0.1990(3) 0.0493(19) Uani 1 1 d . . . . .
C132 C -0.1877(5) 0.9187(3) 0.1958(2) 0.0433(17) Uani 1 1 d . . . . .
C133 C -0.1304(5) 0.8551(3) 0.1971(2) 0.0468(19) Uani 1 1 d . . . . .
C134 C -0.0564(6) 0.8456(4) 0.2016(3) 0.056(2) Uani 1 1 d . . . . .
C135 C 0.0232(5) 1.0407(4) 0.1456(3) 0.056(2) Uani 1 1 d . . . . .
H135 H -0.0161 1.0671 0.1591 0.067 Uiso 1 1 calc R . . . .
C136 C 0.0344(6) 1.0577(4) 0.1065(3) 0.057(2) Uani 1 1 d . . . . .
C137 C 0.0934(5) 1.0192(4) 0.0871(3) 0.0504(19) Uani 1 1 d . . . . .
H137 H 0.1046 1.0307 0.0606 0.061 Uiso 1 1 calc R . . . .
C138 C 0.1363(5) 0.9634(4) 0.1068(3) 0.0519(19) Uani 1 1 d . . . . .
C139 C 0.1194(5) 0.9509(4) 0.1468(3) 0.0508(19) Uani 1 1 d . . . . .
H139 H 0.1486 0.9137 0.1607 0.061 Uiso 1 1 calc R . . . .
C140 C -0.0094(6) 1.1157(4) 0.0840(3) 0.061(2) Uani 1 1 d . . . . .
C141 C -0.0817(6) 1.1452(5) 0.0968(3) 0.062(2) Uani 1 1 d . . . . .
H141 H -0.0999 1.1287 0.1206 0.074 Uiso 1 1 calc R . . . .
C142 C -0.1280(6) 1.1974(5) 0.0765(4) 0.068(3) Uani 1 1 d . . . . .
C143 C -0.2081(8) 1.2255(7) 0.0893(5) 0.090(4) Uani 1 1 d . . . . .
C144 C -0.2138(10) 1.2833(7) 0.1065(7) 0.124(7) Uani 1 1 d . . . . .
H14A H -0.1970 1.3104 0.0867 0.185 Uiso 1 1 calc GR . . . .
H14B H -0.1821 1.2723 0.1293 0.185 Uiso 1 1 calc GR . . . .
H14C H -0.2659 1.3033 0.1142 0.185 Uiso 1 1 calc GR . . . .
C145 C -0.2586(8) 1.2402(11) 0.0556(6) 0.140(8) Uani 1 1 d . U . . .
H14D H -0.2424 1.2658 0.0345 0.210 Uiso 1 1 calc GR . . . .
H14E H -0.3101 1.2612 0.0638 0.210 Uiso 1 1 calc GR . . . .
H14F H -0.2565 1.2031 0.0464 0.210 Uiso 1 1 calc GR . . . .
C146 C -0.2379(11) 1.1857(9) 0.1217(7) 0.155(9) Uani 1 1 d . U . . .
H14G H -0.2927 1.1988 0.1211 0.233 Uiso 1 1 calc GR . . . .
H14H H -0.2226 1.1894 0.1472 0.233 Uiso 1 1 calc GR . . . .
H14I H -0.2171 1.1438 0.1173 0.233 Uiso 1 1 calc GR . . . .
C147 C 0.2002(5) 0.9221(4) 0.0853(3) 0.0479(18) Uani 1 1 d . . . . .
C148 C 0.2255(5) 0.8623(4) 0.0972(3) 0.054(2) Uani 1 1 d . . . . .
H148 H 0.2037 0.8475 0.1203 0.065 Uiso 1 1 calc R . . . .
C149 C 0.2805(6) 0.8213(5) 0.0783(3) 0.065(3) Uani 1 1 d . . . . .
C150 C 0.3018(8) 0.7534(5) 0.0919(4) 0.096(4) Uani 1 1 d D . . . .
C151 C 0.2350(11) 0.7360(8) 0.1066(9) 0.104(9) Uani 0.63(3) 1 d D . P D 1
H15A H 0.1906 0.7630 0.0926 0.156 Uiso 0.63(3) 1 calc GR . P D 1
H15B H 0.2273 0.7387 0.1345 0.156 Uiso 0.63(3) 1 calc GR . P D 1
H15C H 0.2433 0.6948 0.1024 0.156 Uiso 0.63(3) 1 calc GR . P D 1
C152 C 0.3469(18) 0.7174(11) 0.0606(7) 0.130(14) Uani 0.63(3) 1 d D . P D 1
H15D H 0.3242 0.6878 0.0563 0.195 Uiso 0.63(3) 1 calc GR . P D 1
H15E H 0.3985 0.6968 0.0691 0.195 Uiso 0.63(3) 1 calc GR . P D 1
H15F H 0.3469 0.7445 0.0363 0.195 Uiso 0.63(3) 1 calc GR . P D 1
C153 C 0.3589(14) 0.7396(12) 0.1260(8) 0.142(13) Uani 0.63(3) 1 d D U P D 1
H15G H 0.3461 0.7744 0.1399 0.214 Uiso 0.63(3) 1 calc GR . P D 1
H15H H 0.4099 0.7313 0.1151 0.214 Uiso 0.63(3) 1 calc GR . P D 1
H15I H 0.3559 0.7047 0.1442 0.214 Uiso 0.63(3) 1 calc GR . P D 1
C251 C 0.274(2) 0.7268(15) 0.0606(9) 0.102(14) Uani 0.37(3) 1 d D U P D 2
H25A H 0.3027 0.7303 0.0363 0.152 Uiso 0.37(3) 1 calc GR . P D 2
H25B H 0.2208 0.7488 0.0561 0.152 Uiso 0.37(3) 1 calc GR . P D 2
H25C H 0.2809 0.6845 0.0697 0.152 Uiso 0.37(3) 1 calc GR . P D 2
C252 C 0.3871(11) 0.7266(19) 0.0908(13) 0.111(16) Uani 0.37(3) 1 d D U P D 2
H25D H 0.4062 0.7229 0.1168 0.167 Uiso 0.37(3) 1 calc GR . P D 2
H25E H 0.4078 0.7528 0.0723 0.167 Uiso 0.37(3) 1 calc GR . P D 2
H25F H 0.4021 0.6870 0.0825 0.167 Uiso 0.37(3) 1 calc GR . P D 2
C253 C 0.269(2) 0.7381(15) 0.1316(8) 0.097(14) Uani 0.37(3) 1 d D U P D 2
H25G H 0.2148 0.7559 0.1313 0.146 Uiso 0.37(3) 1 calc R . P D 2
H25H H 0.2835 0.6945 0.1381 0.146 Uiso 0.37(3) 1 calc R . P D 2
H25I H 0.2892 0.7539 0.1510 0.146 Uiso 0.37(3) 1 calc R . P D 2
C154 C 0.1785(6) 1.1712(4) -0.1058(3) 0.056(2) Uani 1 1 d . . . . .
H154 H 0.1549 1.2112 -0.1176 0.067 Uiso 1 1 calc R . . . .
C155 C 0.1513(6) 1.1509(4) -0.0710(3) 0.057(2) Uani 1 1 d . . . . .
C156 C 0.1870(6) 1.0941(4) -0.0522(3) 0.057(2) Uani 1 1 d . . . . .
H156 H 0.1694 1.0809 -0.0273 0.069 Uiso 1 1 calc R . . . .
C157 C 0.2472(6) 1.0571(4) -0.0695(3) 0.056(2) Uani 1 1 d . . . . .
C158 C 0.2729(6) 1.0787(4) -0.1056(3) 0.060(2) Uani 1 1 d . . . . .
H158 H 0.3155 1.0530 -0.1176 0.072 Uiso 1 1 calc R . . . .
C159 C 0.0804(6) 1.1904(4) -0.0512(3) 0.057(2) Uani 1 1 d . . . . .
C160 C 0.0353(7) 1.2445(5) -0.0710(4) 0.069(3) Uani 1 1 d . . . . .
H160 H 0.0504 1.2572 -0.0966 0.083 Uiso 1 1 calc R . . . .
C161 C -0.0317(6) 1.2814(4) -0.0551(4) 0.060(3) Uani 1 1 d . . . . .
C162 C -0.0750(7) 1.3404(5) -0.0801(4) 0.075(3) Uani 1 1 d . . . . .
C163 C -0.1481(9) 1.3703(6) -0.0579(5) 0.108(5) Uani 1 1 d . . . . .
H16A H -0.1621 1.3397 -0.0399 0.162 Uiso 1 1 calc GR . . . .
H16B H -0.1882 1.3910 -0.0765 0.162 Uiso 1 1 calc GR . . . .
H16C H -0.1406 1.3993 -0.0432 0.162 Uiso 1 1 calc GR . . . .
C164 C -0.0246(12) 1.3818(7) -0.0827(7) 0.150(9) Uani 1 1 d . . . . .
H16D H 0.0102 1.3677 -0.0610 0.225 Uiso 1 1 calc GR . . . .
H16E H -0.0567 1.4231 -0.0812 0.225 Uiso 1 1 calc GR . . . .
H16F H 0.0038 1.3801 -0.1074 0.225 Uiso 1 1 calc GR . . . .
C165 C -0.0923(10) 1.3266(7) -0.1204(5) 0.118(6) Uani 1 1 d . . . . .
H16G H -0.0527 1.3300 -0.1394 0.177 Uiso 1 1 calc GR . . . .
H16H H -0.1405 1.3554 -0.1296 0.177 Uiso 1 1 calc GR . . . .
H16I H -0.0946 1.2860 -0.1173 0.177 Uiso 1 1 calc GR . . . .
C166 C 0.2842(6) 0.9947(4) -0.0499(3) 0.054(2) Uani 1 1 d . . . . .
C167 C 0.3336(7) 0.9519(5) -0.0711(3) 0.070(3) Uani 1 1 d . . . . .
H167 H 0.3382 0.9624 -0.0984 0.084 Uiso 1 1 calc R . . . .
C168 C 0.3752(6) 0.8964(4) -0.0547(3) 0.057(2) Uani 1 1 d . . . . .
C169 C 0.4381(7) 0.8589(5) -0.0786(4) 0.075(3) Uani 1 1 d . . . . .
C170 C 0.4617(7) 0.7916(5) -0.0596(4) 0.077(3) Uani 1 1 d . . . . .
H17A H 0.4849 0.7869 -0.0346 0.115 Uiso 1 1 calc GR . . . .
H17B H 0.4977 0.7669 -0.0770 0.115 Uiso 1 1 calc GR . . . .
H17C H 0.4173 0.7790 -0.0556 0.115 Uiso 1 1 calc GR . . . .
C171 C 0.4138(14) 0.8638(10) -0.1193(6) 0.170(10) Uani 1 1 d . U . . .
H17D H 0.3751 0.8451 -0.1189 0.255 Uiso 1 1 calc GR . . . .
H17E H 0.4569 0.8434 -0.1352 0.255 Uiso 1 1 calc GR . . . .
H17F H 0.3935 0.9061 -0.1304 0.255 Uiso 1 1 calc GR . . . .
C172 C 0.5070(9) 0.8780(8) -0.0789(7) 0.130(7) Uani 1 1 d . U . . .
H17G H 0.4917 0.9218 -0.0825 0.195 Uiso 1 1 calc GR . . . .
H17H H 0.5411 0.8629 -0.1004 0.195 Uiso 1 1 calc GR . . . .
H17I H 0.5327 0.8617 -0.0542 0.195 Uiso 1 1 calc GR . . . .
C173 C 0.0444(6) 0.9871(5) 0.2840(3) 0.062(2) Uani 1 1 d . . . . .
C174 C 0.0881(7) 0.9276(6) 0.2852(4) 0.078(3) Uani 1 1 d . . . . .
C175 C 0.1519(8) 0.9173(7) 0.2608(5) 0.102(5) Uani 1 1 d D . . . .
C176 C 0.1469(9) 0.9755(9) 0.2455(5) 0.109(5) Uani 1 1 d D U . . .
C177 C 0.0790(10) 1.0213(7) 0.2566(4) 0.105(6) Uani 1 1 d D . . . .
C178 C -0.0270(9) 1.0101(9) 0.3057(5) 0.116(6) Uani 1 1 d . . . . .
H17J H -0.0549 0.9820 0.3071 0.173 Uiso 1 1 calc GR . . . .
H17K H -0.0568 1.0492 0.2922 0.173 Uiso 1 1 calc GR . . . .
H17L H -0.0167 1.0142 0.3320 0.173 Uiso 1 1 calc GR . . . .
C179 C 0.0683(12) 0.8743(7) 0.3083(5) 0.130(7) Uani 1 1 d . U . . .
H17M H 0.0767 0.8718 0.3360 0.195 Uiso 1 1 calc GR . . . .
H17N H 0.1000 0.8372 0.2989 0.195 Uiso 1 1 calc GR . . . .
H17O H 0.0155 0.8799 0.3045 0.195 Uiso 1 1 calc GR . . . .
C180 C 0.2089(10) 0.8561(8) 0.2556(7) 0.140(7) Uani 1 1 d D U . . .
H18A H 0.2436 0.8422 0.2772 0.210 Uiso 1 1 calc GR . . . .
H18B H 0.2369 0.8595 0.2310 0.210 Uiso 1 1 calc GR . . . .
H18C H 0.1826 0.8274 0.2551 0.210 Uiso 1 1 calc GR . . . .
C181 C 0.2080(14) 0.9878(14) 0.2162(7) 0.191(11) Uani 1 1 d . U . . .
H18D H 0.2572 0.9693 0.2281 0.286 Uiso 1 1 calc GR . . . .
H18E H 0.1975 1.0310 0.2096 0.286 Uiso 1 1 calc GR . . . .
H18F H 0.2078 0.9706 0.1925 0.286 Uiso 1 1 calc GR . . . .
C182 C 0.0556(14) 1.0900(9) 0.2468(7) 0.161(9) Uani 1 1 d . U . . .
H18G H 0.0067 1.1083 0.2590 0.241 Uiso 1 1 calc GR . . . .
H18H H 0.0523 1.1016 0.2185 0.241 Uiso 1 1 calc GR . . . .
H18I H 0.0929 1.1039 0.2566 0.241 Uiso 1 1 calc GR . . . .
C183 C -0.3624(8) 0.8134(6) 0.1703(4) 0.082(4) Uani 1 1 d . . . . .
C184 C -0.3056(8) 0.7654(5) 0.1929(3) 0.074(3) Uani 1 1 d . . . . .
C185 C -0.3036(8) 0.7850(6) 0.2295(3) 0.074(3) Uani 1 1 d . . . . .
C186 C -0.3532(7) 0.8436(5) 0.2290(3) 0.068(3) Uani 1 1 d . . . . .
C187 C -0.3910(7) 0.8620(6) 0.1922(4) 0.075(3) Uani 1 1 d . . . . .
C188 C -0.3863(9) 0.8116(7) 0.1320(4) 0.096(5) Uani 1 1 d . . . . .
H18J H -0.4082 0.8526 0.1186 0.144 Uiso 1 1 calc GR . . . .
H18K H -0.4238 0.7914 0.1347 0.144 Uiso 1 1 calc GR . . . .
H18L H -0.3431 0.7898 0.1168 0.144 Uiso 1 1 calc GR . . . .
C189 C -0.2658(9) 0.7065(7) 0.1814(5) 0.098(5) Uani 1 1 d . . . . .
H18M H -0.2135 0.6932 0.1893 0.147 Uiso 1 1 calc GR . . . .
H18N H -0.2675 0.7091 0.1530 0.147 Uiso 1 1 calc GR . . . .
H18O H -0.2897 0.6777 0.1941 0.147 Uiso 1 1 calc GR . . . .
C190 C -0.2516(8) 0.7486(6) 0.2615(4) 0.085(4) Uani 1 1 d . . . . .
H19A H -0.2001 0.7457 0.2535 0.128 Uiso 1 1 calc GR . . . .
H19B H -0.2556 0.7083 0.2670 0.128 Uiso 1 1 calc GR . . . .
H19C H -0.2653 0.7679 0.2850 0.128 Uiso 1 1 calc GR . . . .
C191 C -0.3674(8) 0.8827(7) 0.2604(4) 0.085(4) Uani 1 1 d . . . . .
H19D H -0.4111 0.8796 0.2762 0.127 Uiso 1 1 calc GR . . . .
H19E H -0.3767 0.9244 0.2484 0.127 Uiso 1 1 calc GR . . . .
H19F H -0.3235 0.8697 0.2769 0.127 Uiso 1 1 calc GR . . . .
C192 C -0.4492(8) 0.9229(7) 0.1797(5) 0.102(5) Uani 1 1 d . . . . .
H19G H -0.4529 0.9299 0.1513 0.152 Uiso 1 1 calc GR . . . .
H19H H -0.4342 0.9542 0.1881 0.152 Uiso 1 1 calc GR . . . .
H19I H -0.4980 0.9237 0.1916 0.152 Uiso 1 1 calc GR . . . .
C193 C 0.6521(15) 0.9275(15) 0.8402(8) 0.165(12) Uani 1 1 d . . . . .
C194 C 0.3226(14) 0.592(2) 0.5004(9) 0.21(2) Uani 1 1 d D . . . .
C195 C 0.8282(15) 0.5769(13) 0.0878(11) 0.174(10) Uani 1 1 d D U . . .
C196 C 0.0981(13) 0.2723(10) 0.6525(8) 0.306(15) Uiso 1 1 d D U . . .
C199 C 0.2805(15) 0.4057(9) 0.3023(7) 0.122(7) Uani 1 1 d . . . . .
C200 C 0.2135(16) 0.4292(12) 0.3266(9) 0.146(9) Uani 1 1 d . . . . .
H200 H 0.1771 0.4659 0.3164 0.175 Uiso 1 1 calc R . . . .
C201 C 0.1999(17) 0.4041(17) 0.3604(8) 0.173(12) Uani 1 1 d . . . . .
H201 H 0.1557 0.4220 0.3748 0.208 Uiso 1 1 calc R . . . .
C202 C 0.2540(16) 0.3480(12) 0.3757(6) 0.133(7) Uani 1 1 d D U . . .
C203 C 0.2458(15) 0.3156(12) 0.4130(7) 0.144(8) Uani 1 1 d D U . . .
H203 H 0.2048 0.3305 0.4302 0.173 Uiso 1 1 calc R . . . .
C204 C 0.3014(15) 0.2611(12) 0.4223(9) 0.155(9) Uani 1 1 d D U . . .
H204 H 0.2947 0.2401 0.4471 0.185 Uiso 1 1 calc R . . . .
C205 C 0.3613(16) 0.2334(11) 0.4032(8) 0.143(8) Uani 1 1 d . U . . .
H205 H 0.3953 0.1952 0.4128 0.172 Uiso 1 1 calc R . . . .
C206 C 0.3705(19) 0.2651(12) 0.3676(7) 0.154(10) Uani 1 1 d . . . . .
C207 C 0.4394(18) 0.2439(14) 0.3407(10) 0.163(10) Uani 1 1 d . U . . .
H207 H 0.4771 0.2070 0.3493 0.195 Uiso 1 1 calc R . . . .
C208 C 0.4491(17) 0.2715(15) 0.3089(9) 0.166(10) Uani 1 1 d . U . . .
H208 H 0.4937 0.2551 0.2943 0.199 Uiso 1 1 calc R . . . .
C209 C 0.3982(15) 0.3250(12) 0.2937(7) 0.130(7) Uani 1 1 d . U . . .
C210 C 0.4045(18) 0.3561(16) 0.2559(8) 0.154(10) Uani 1 1 d . . . . .
H210 H 0.4442 0.3390 0.2386 0.185 Uiso 1 1 calc R . . . .
C211 C 0.356(2) 0.4080(16) 0.2454(10) 0.165(13) Uani 1 1 d . . . . .
H211 H 0.3640 0.4285 0.2207 0.198 Uiso 1 1 calc R . . . .
C212 C 0.2952(18) 0.4356(10) 0.2652(8) 0.143(10) Uani 1 1 d . . . . .
H212 H 0.2626 0.4741 0.2551 0.172 Uiso 1 1 calc R . . . .
C213 C 0.3321(11) 0.3512(8) 0.3164(6) 0.106(5) Uani 1 1 d . . . . .
C214 C 0.3185(12) 0.3209(8) 0.3543(5) 0.105(5) Uani 1 1 d . . . . .
C215 C 0.1153(12) 0.9271(12) -0.0235(7) 0.128(7) Uani 1 1 d . . . . .
H215 H 0.1592 0.9085 -0.0379 0.154 Uiso 1 1 calc R . . . .
C216 C 0.1026(13) 0.8977(8) 0.0115(7) 0.121(7) Uani 1 1 d . . . . .
H216 H 0.1356 0.8590 0.0209 0.145 Uiso 1 1 calc R . . . .
C217 C 0.0354(12) 0.9278(7) 0.0347(5) 0.101(5) Uani 1 1 d . . . . .
C218 C 0.0206(18) 0.9012(12) 0.0685(6) 0.144(11) Uani 1 1 d . . . . .
H218 H 0.0499 0.8612 0.0777 0.173 Uiso 1 1 calc R . . . .
C219 C -0.0414(19) 0.9342(15) 0.0914(7) 0.161(13) Uani 1 1 d . . . . .
H219 H -0.0521 0.9162 0.1165 0.193 Uiso 1 1 calc R . . . .
C220 C -0.0858(15) 0.9923(14) 0.0772(6) 0.148(10) Uani 1 1 d . . . . .
H220 H -0.1261 1.0137 0.0928 0.177 Uiso 1 1 calc R . . . .
C221 C -0.0706(9) 1.0200(8) 0.0388(5) 0.091(4) Uani 1 1 d . . . . .
C222 C -0.0099(9) 0.9880(7) 0.0192(4) 0.086(4) Uani 1 1 d . . . . .
C223 C 0.4803(9) 0.2208(7) 0.9517(5) 0.106(5) Uani 1 1 d D . . . .
H22G H 0.5292 0.1948 0.9617 0.159 Uiso 1 1 calc GR . . . .
H22H H 0.4702 0.2613 0.9577 0.159 Uiso 1 1 calc GR . . . .
H22I H 0.4804 0.2219 0.9234 0.159 Uiso 1 1 calc GR . . . .
C224 C 0.4194(16) 0.1961(11) 0.9708(8) 0.211(15) Uani 1 1 d D . . . .
H22J H 0.4143 0.1983 0.9991 0.253 Uiso 1 1 calc R . . . .
H22K H 0.3703 0.2179 0.9585 0.253 Uiso 1 1 calc R . . . .
C225 C 0.3995(17) 0.0987(15) 0.9801(10) 0.221(14) Uani 1 1 d D U . . .
H22L H 0.3487 0.1172 0.9693 0.265 Uiso 1 1 calc R . . . .
H22M H 0.3956 0.0973 1.0088 0.265 Uiso 1 1 calc R . . . .
C226 C 0.4350(19) 0.0379(15) 0.9697(12) 0.259(17) Uani 1 1 d D U . . .
H22N H 0.4415 0.0403 0.9413 0.388 Uiso 1 1 calc GR . . . .
H22O H 0.4030 0.0136 0.9789 0.388 Uiso 1 1 calc GR . . . .
H22P H 0.4839 0.0194 0.9819 0.388 Uiso 1 1 calc GR . . . .
O55 O 0.4486(8) 0.1328(8) 0.9630(5) 0.143(5) Uani 1 1 d D . . . .
C227 C 0.0993(15) 1.2761(12) 0.0213(6) 0.194(13) Uani 1 1 d D . . . .
H22D H 0.1239 1.2507 0.0014 0.291 Uiso 1 1 calc GR . . . .
H22E H 0.1372 1.2810 0.0367 0.291 Uiso 1 1 calc GR . . . .
H22F H 0.0682 1.3154 0.0086 0.291 Uiso 1 1 calc GR . . . .
C228 C 0.2096(13) 0.1105(10) 0.0595(7) 0.140(7) Uani 1 1 d . . . . .
O61 O 0.3973(5) 0.9309(4) 0.0487(3) 0.095(3) Uani 1 1 d . . . . .
O60 O 0.0528(6) 1.2484(5) 0.0464(3) 0.097(3) Uani 1 1 d D . . . .
O59 O 0.3576(11) 0.5874(7) 0.3800(4) 0.169(7) Uani 1 1 d . . . . .
O56 O 0.3191(10) 0.0777(7) 0.2911(4) 0.156(6) Uani 1 1 d . . . . .
O62 O 0.1756(9) 0.1594(9) 0.0803(5) 0.186(7) Uani 1 1 d . . . . .
O58 O 0.7260(11) 0.2902(10) 0.3795(6) 0.217(8) Uani 1 1 d . U . . .
O57 O -0.0734(13) 0.3801(14) 0.2847(6) 0.127(9) Uani 0.5 1 d . U P . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 N1 2.126(7) . ?
Rh1 O1 2.104(6) . ?
Rh1 O2 2.111(6) . ?
Rh1 C89 2.133(10) . ?
Rh1 C90 2.135(9) . ?
Rh1 C91 2.126(10) . ?
Rh1 C92 2.148(11) . ?
Rh1 C93 2.091(13) . ?
Rh2 N3 2.128(6) . ?
Rh2 O3 2.138(6) . ?
Rh2 O4 2.110(6) . ?
Rh2 C99 2.143(9) . ?
Rh2 C100 2.127(8) . ?
Rh2 C101 2.126(10) . ?
Rh2 C102 2.151(7) . ?
Rh2 C103 2.175(9) . ?
Rh3 N2 2.104(9) . ?
Rh3 O5 2.112(9) . ?
Rh3 O6 2.146(8) . ?
Rh3 C109 2.187(17) . ?
Rh3 C110 2.23(2) . ?
Rh3 C111 2.140(15) . ?
Rh3 C112 2.096(13) . ?
Rh3 C113 2.095(13) . ?
Rh4 N4 2.132(7) . ?
Rh4 O7 2.114(7) . ?
Rh4 O8 2.135(6) . ?
Rh4 C119 2.093(10) . ?
Rh4 C120 2.141(12) . ?
Rh4 C121 2.108(11) . ?
Rh4 C122 2.090(13) . ?
Rh4 C123 2.127(12) . ?
Cu1 Cu1' 0.597(5) . ?
Cu1 O9 1.765(11) . ?
Cu1 O10 1.845(9) . ?
Cu1 O13 1.959(11) . ?
Cu1 O14 2.077(10) . ?
Cu1 O56 2.406(16) . ?
Cu2 Cu2' 0.551(10) . ?
Cu2 O11 1.908(9) . ?
Cu2 O12 1.850(13) . ?
Cu2 O15 1.966(11) . ?
Cu2 O16 1.947(11) . ?
Cu3 Cu3' 0.704(6) . ?
Cu3 O18 1.947(9) . ?
Cu3 O22 1.907(9) . ?
Cu3 O17 1.89(3) . ?
Cu3 O17' 2.19(4) . ?
Cu3 O21 1.918(17) . ?
Cu3 O21' 1.88(3) . ?
Cu4 O19 1.914(9) . ?
Cu4 O20 1.900(9) . ?
Cu4 O23 1.928(8) . ?
Cu4 O24 1.874(10) . ?
Cu1' O9 2.197(13) . ?
Cu1' O10 2.015(10) . ?
Cu1' O13 1.873(12) . ?
Cu1' O14 1.754(10) . ?
Cu1' O56 1.997(16) . ?
Cu2' O11 1.995(13) . ?
Cu2' O12 2.099(17) . ?
Cu2' O15 1.844(15) . ?
Cu2' O16 1.944(16) . ?
Cu2' O57 2.12(3) . ?
Cu3' O18 1.938(10) . ?
Cu3' O22 2.056(11) . ?
Cu3' O17 1.93(3) . ?
Cu3' O17' 2.03(4) . ?
Cu3' O21 2.24(2) . ?
Cu3' O21' 1.89(2) . ?
Cu3' O58 1.91(2) . ?
Cu4' O19 1.912(14) . ?
Cu4' O20 1.983(14) . ?
Cu4' O23 1.936(13) . ?
Cu4' O24 2.010(14) . ?
Cu4' O59 2.02(2) . ?
Cl1 C3 1.727(9) . ?
Cl2 C6 1.733(10) . ?
Cl3 C9 1.733(12) . ?
Cl4 C12 1.699(13) . ?
N1 C13 1.372(13) . ?
N1 C17 1.341(13) . ?
N2 C32 1.278(19) . ?
N2 C36 1.358(18) . ?
N3 C51 1.336(11) . ?
N3 C55 1.324(11) . ?
N4 C70 1.364(14) . ?
N4 C74 1.305(12) . ?
O1 C1 1.266(12) . ?
O2 C2 1.271(10) . ?
O3 C4 1.253(10) . ?
O4 C5 1.275(10) . ?
O5 C7 1.245(13) . ?
O6 C8 1.252(15) . ?
O7 C10 1.275(12) . ?
O8 C11 1.274(13) . ?
O9 C20 1.23(2) . ?
O10 C18 1.271(14) . ?
O11 C25 1.240(12) . ?
O12 C27 1.27(2) . ?
O13 C39 1.29(2) . ?
O14 C37 1.237(13) . ?
O15 C44 1.260(14) . ?
O16 C46 1.282(17) . ?
O18 C56 1.243(14) . ?
O19 C63 1.267(11) . ?
O20 C65 1.294(12) . ?
O22 C75 1.232(14) . ?
O23 C82 1.254(11) . ?
O24 C84 1.252(13) . ?
O25 Rh5 2.108(7) . ?
O25 C129 1.240(11) . ?
O26 Rh5 2.130(6) . ?
O26 C130 1.253(10) . ?
O27 Rh6 2.124(6) . ?
O27 C132 1.256(10) . ?
O28 Rh6 2.106(6) . ?
O28 C133 1.263(10) . ?
O29 Cu5 1.942(8) . ?
O29 C142 1.274(14) . ?
O30 Cu5 1.908(7) . ?
O30 C140 1.262(13) . ?
O31 Cu6 1.931(7) . ?
O31 C147 1.247(11) . ?
O32 Cu6 1.921(6) . ?
O32 C149 1.246(12) . ?
O35 Cu6 1.911(6) . ?
O35 C166 1.266(11) . ?
O36 Cu6 1.914(7) . ?
O36 C168 1.287(12) . ?
O33 Cu5 1.917(8) . ?
O33 C161 1.251(14) . ?
O34 Cu5 1.935(8) . ?
O34 C159 1.252(13) . ?
O37 S1 1.36(2) . ?
O38 S1 1.357(19) . ?
O39 S1 1.433(17) . ?
O40 S2 1.425(9) . ?
O41 S2 1.413(9) . ?
O42 S2 1.417(9) . ?
O43 S3 1.342(13) . ?
O44 S3 1.436(13) . ?
O45 S3 1.496(16) . ?
O46 S4 1.378(11) . ?
O47 S4 1.473(12) . ?
O48 S4 1.508(17) . ?
S1 C193 1.77(4) . ?
S2 C194 1.80(3) . ?
S3 C195 1.89(3) . ?
S4 C196 1.818(18) . ?
F1 C193 1.37(3) . ?
F2 C193 1.33(3) . ?
F3 C193 1.30(3) . ?
F4 C194 1.363(18) . ?
F5 C194 1.29(5) . ?
F6 C194 1.25(4) . ?
F7 C195 1.32(4) . ?
F8 C195 1.367(18) . ?
F9 C195 1.43(4) . ?
F10 C196 1.334(18) . ?
F11 C196 1.330(19) . ?
F12 C196 1.349(18) . ?
C1 C2 1.543(13) . ?
C1 C6 1.400(14) . ?
C2 C3 1.363(13) . ?
C3 C4 1.398(11) . ?
C4 C5 1.533(11) . ?
C5 C6 1.349(13) . ?
C7 C8 1.501(18) . ?
C7 C12 1.422(18) . ?
C8 C9 1.413(14) . ?
C9 C10 1.392(15) . ?
C10 C11 1.519(14) . ?
C11 C12 1.353(15) . ?
C13 H13 0.9500 . ?
C13 C14 1.349(15) . ?
C14 C15 1.352(13) . ?
C14 C18 1.521(14) . ?
C15 H15 0.9500 . ?
C15 C16 1.412(14) . ?
C16 C17 1.414(14) . ?
C16 C25 1.502(14) . ?
C17 H17 0.9500 . ?
C18 C19 1.404(15) . ?
C19 H19 0.9500 . ?
C19 C20 1.441(19) . ?
C20 C21 1.56(2) . ?
C21 C22 1.60(3) . ?
C21 C23 1.58(3) . ?
C21 C24 1.47(3) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.354(16) . ?
C26 H26 0.9500 . ?
C26 C27 1.37(2) . ?
C27 C28 1.507(16) . ?
C28 C29 1.515(18) . ?
C28 C30 1.511(18) . ?
C28 C31 1.540(17) . ?
C28 C29' 1.530(18) . ?
C28 C30' 1.510(18) . ?
C28 C31' 1.515(17) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C29' H29D 0.9800 . ?
C29' H29E 0.9800 . ?
C29' H29F 0.9800 . ?
C30' H30D 0.9800 . ?
C30' H30E 0.9800 . ?
C30' H30F 0.9800 . ?
C31' H31D 0.9800 . ?
C31' H31E 0.9800 . ?
C31' H31F 0.9800 . ?
C32 H32 0.9500 . ?
C32 C33 1.460(16) . ?
C33 C34 1.392(17) . ?
C33 C37 1.508(18) . ?
C34 H34 0.9500 . ?
C34 C35 1.421(17) . ?
C35 C36 1.375(16) . ?
C35 C44 1.460(17) . ?
C36 H36 0.9500 . ?
C37 C38 1.338(18) . ?
C38 H38 0.9500 . ?
C38 C39 1.44(2) . ?
C39 C40 1.540(16) . ?
C39 C40' 1.61(3) . ?
C40 C41 1.536(17) . ?
C40 C42 1.513(17) . ?
C40 C43 1.523(17) . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C40' C41' 1.522(19) . ?
C40' C42' 1.524(18) . ?
C40' C43' 1.528(19) . ?
C41' H41D 0.9800 . ?
C41' H41E 0.9800 . ?
C41' H41F 0.9800 . ?
C42' H42D 0.9800 . ?
C42' H42E 0.9800 . ?
C42' H42F 0.9800 . ?
C43' H43D 0.9800 . ?
C43' H43E 0.9800 . ?
C43' H43F 0.9800 . ?
C44 C45 1.351(19) . ?
C45 H45 0.9500 . ?
C45 C46 1.35(2) . ?
C46 C47 1.50(3) . ?
C46 C47' 1.547(17) . ?
C47 C48 1.504(17) . ?
C47 C49 1.500(18) . ?
C47 C50 1.515(17) . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C47' C48' 1.551(19) . ?
C47' C49' 1.554(18) . ?
C47' C50' 1.558(18) . ?
C48' H48D 0.9800 . ?
C48' H48E 0.9800 . ?
C48' H48F 0.9800 . ?
C49' H49D 0.9800 . ?
C49' H49E 0.9800 . ?
C49' H49F 0.9800 . ?
C50' H50D 0.9800 . ?
C50' H50E 0.9800 . ?
C50' H50F 0.9800 . ?
C51 H51 0.9500 . ?
C51 C52 1.391(13) . ?
C52 C53 1.377(14) . ?
C52 C56 1.545(14) . ?
C53 H53 0.9500 . ?
C53 C54 1.374(12) . ?
C54 C55 1.388(12) . ?
C54 C63 1.515(12) . ?
C55 H55 0.9500 . ?
C56 C57 1.358(17) . ?
C56 C57' 1.358(17) . ?
C57 H57 0.9500 . ?
C57 C58 1.51(3) . ?
C58 C59 1.501(18) . ?
C58 O17 1.22(4) . ?
C59 C60 1.540(18) . ?
C59 C61 1.507(17) . ?
C59 C62 1.535(18) . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C57' H57' 0.9500 . ?
C57' C58' 1.47(3) . ?
C58' C59' 1.513(17) . ?
C58' O17' 1.20(6) . ?
C59' C60' 1.521(17) . ?
C59' C61' 1.536(17) . ?
C59' C62' 1.514(18) . ?
C60' H60D 0.9800 . ?
C60' H60E 0.9800 . ?
C60' H60F 0.9800 . ?
C61' H61D 0.9800 . ?
C61' H61E 0.9800 . ?
C61' H61F 0.9800 . ?
C62' H62D 0.9800 . ?
C62' H62E 0.9800 . ?
C62' H62F 0.9800 . ?
C63 C64 1.342(13) . ?
C64 H64 0.9500 . ?
C64 C65 1.344(15) . ?
C65 C66 1.529(16) . ?
C66 C67 1.502(17) . ?
C66 C68 1.571(17) . ?
C66 C69 1.47(3) . ?
C67 H67A 0.9800 . ?
C67 H67B 0.9800 . ?
C67 H67C 0.9800 . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
C70 H70 0.9500 . ?
C70 C71 1.386(14) . ?
C71 C72 1.378(13) . ?
C71 C75 1.514(16) . ?
C72 H72 0.9500 . ?
C72 C73 1.368(14) . ?
C73 C74 1.406(13) . ?
C73 C82 1.498(13) . ?
C74 H74 0.9500 . ?
C75 C76 1.364(19) . ?
C75 C76' 1.364(19) . ?
C76 H76 0.9500 . ?
C76 C77 1.43(3) . ?
C77 C78 1.546(19) . ?
C77 O21 1.28(4) . ?
C78 C79 1.528(19) . ?
C78 C80 1.521(19) . ?
C78 C81 1.551(19) . ?
C79 H79A 0.9800 . ?
C79 H79B 0.9800 . ?
C79 H79C 0.9800 . ?
C80 H80A 0.9800 . ?
C80 H80B 0.9800 . ?
C80 H80C 0.9800 . ?
C81 H81A 0.9800 . ?
C81 H81B 0.9800 . ?
C81 H81C 0.9800 . ?
C76' H76' 0.9500 . ?
C76' C77' 1.57(3) . ?
C77' C78' 1.532(19) . ?
C77' O21' 1.30(4) . ?
C78' C79' 1.539(19) . ?
C78' C80' 1.53(2) . ?
C78' C81' 1.53(2) . ?
C79' H79D 0.9800 . ?
C79' H79E 0.9800 . ?
C79' H79F 0.9800 . ?
C80' H80D 0.9800 . ?
C80' H80E 0.9800 . ?
C80' H80F 0.9800 . ?
C81' H81D 0.9800 . ?
C81' H81E 0.9800 . ?
C81' H81F 0.9800 . ?
C82 C83 1.389(13) . ?
C83 H83 0.9500 . ?
C83 C84 1.420(15) . ?
C84 C85 1.533(15) . ?
C85 C86 1.49(2) . ?
C85 C87 1.51(2) . ?
C85 C88 1.560(18) . ?
C86 H86A 0.9800 . ?
C86 H86B 0.9800 . ?
C86 H86C 0.9800 . ?
C87 H87A 0.9800 . ?
C87 H87B 0.9800 . ?
C87 H87C 0.9800 . ?
C88 H88A 0.9800 . ?
C88 H88B 0.9800 . ?
C88 H88C 0.9800 . ?
C89 C90 1.423(16) . ?
C89 C93 1.448(15) . ?
C89 C94 1.504(18) . ?
C90 C91 1.449(15) . ?
C90 C95 1.435(15) . ?
C91 C92 1.488(15) . ?
C91 C96 1.417(17) . ?
C92 C93 1.440(18) . ?
C92 C97 1.443(16) . ?
C93 C98 1.493(17) . ?
C94 H94A 0.9800 . ?
C94 H94B 0.9800 . ?
C94 H94C 0.9800 . ?
C95 H95A 0.9800 . ?
C95 H95B 0.9800 . ?
C95 H95C 0.9800 . ?
C96 H96A 0.9800 . ?
C96 H96B 0.9800 . ?
C96 H96C 0.9800 . ?
C97 H97A 0.9800 . ?
C97 H97B 0.9800 . ?
C97 H97C 0.9800 . ?
C98 H98A 0.9800 . ?
C98 H98B 0.9800 . ?
C98 H98C 0.9800 . ?
C99 C100 1.439(14) . ?
C99 C103 1.432(14) . ?
C99 C104 1.463(14) . ?
C100 C101 1.428(15) . ?
C100 C105 1.512(15) . ?
C101 C102 1.398(15) . ?
C101 C106 1.510(15) . ?
C102 C103 1.478(14) . ?
C102 C107 1.518(15) . ?
C103 C108 1.442(15) . ?
C104 H10A 0.9800 . ?
C104 H10B 0.9800 . ?
C104 H10C 0.9800 . ?
C105 H10D 0.9800 . ?
C105 H10E 0.9800 . ?
C105 H10F 0.9800 . ?
C106 H10G 0.9800 . ?
C106 H10H 0.9800 . ?
C106 H10I 0.9800 . ?
C107 H10J 0.9800 . ?
C107 H10K 0.9800 . ?
C107 H10L 0.9800 . ?
C108 H10M 0.9800 . ?
C108 H10N 0.9800 . ?
C108 H10O 0.9800 . ?
C109 C110 1.51(3) . ?
C109 C113 1.39(3) . ?
C109 C114 1.51(2) . ?
C110 C111 1.43(3) . ?
C110 C115 1.42(3) . ?
C111 C112 1.38(3) . ?
C111 C116 1.49(2) . ?
C112 C113 1.44(2) . ?
C112 C117 1.51(3) . ?
C113 C118 1.58(3) . ?
C114 H11A 0.9800 . ?
C114 H11B 0.9800 . ?
C114 H11C 0.9800 . ?
C115 H11D 0.9800 . ?
C115 H11E 0.9800 . ?
C115 H11F 0.9800 . ?
C116 H11G 0.9800 . ?
C116 H11H 0.9800 . ?
C116 H11I 0.9800 . ?
C117 H11J 0.9800 . ?
C117 H11K 0.9800 . ?
C117 H11L 0.9800 . ?
C118 H11M 0.9800 . ?
C118 H11N 0.9800 . ?
C118 H11O 0.9800 . ?
C119 C120 1.403(16) . ?
C119 C123 1.382(17) . ?
C119 C124 1.539(17) . ?
C120 C121 1.36(2) . ?
C120 C125 1.48(2) . ?
C121 C122 1.45(2) . ?
C121 C126 1.56(2) . ?
C122 C123 1.42(2) . ?
C122 C127 1.526(17) . ?
C123 C128 1.51(2) . ?
C124 H12A 0.9800 . ?
C124 H12B 0.9800 . ?
C124 H12C 0.9800 . ?
C125 H12D 0.9800 . ?
C125 H12E 0.9800 . ?
C125 H12F 0.9800 . ?
C126 H12G 0.9800 . ?
C126 H12H 0.9800 . ?
C126 H12I 0.9800 . ?
C127 H12J 0.9800 . ?
C127 H12K 0.9800 . ?
C127 H12L 0.9800 . ?
C128 H12M 0.9800 . ?
C128 H12N 0.9800 . ?
C128 H12O 0.9800 . ?
Rh5 N5 2.103(8) . ?
Rh5 C173 2.145(10) . ?
Rh5 C174 2.161(12) . ?
Rh5 C175 2.183(14) . ?
Rh5 C176 2.079(14) . ?
Rh5 C177 2.061(13) . ?
Rh6 N6 2.116(7) 2_575 ?
Rh6 C183 2.149(10) . ?
Rh6 C184 2.132(10) . ?
Rh6 C185 2.156(10) . ?
Rh6 C186 2.140(12) . ?
Rh6 C187 2.146(12) . ?
Cu5 O60 2.373(10) . ?
Cu6 O61 2.362(10) . ?
Cl5 C131 1.737(8) . ?
Cl6 C134 1.714(10) . ?
N5 C135 1.377(12) . ?
N5 C139 1.314(12) . ?
N6 Rh6 2.116(7) 2_575 ?
N6 C154 1.386(13) . ?
N6 C158 1.346(11) . ?
C129 C130 1.529(11) . ?
C129 C134 1.412(12) . ?
C130 C131 1.371(12) . ?
C131 C132 1.378(12) . ?
C132 C133 1.543(11) . ?
C133 C134 1.360(13) . ?
C135 H135 0.9500 . ?
C135 C136 1.378(14) . ?
C136 C137 1.396(13) . ?
C136 C140 1.486(14) . ?
C137 H137 0.9500 . ?
C137 C138 1.407(13) . ?
C138 C139 1.412(13) . ?
C138 C147 1.516(12) . ?
C139 H139 0.9500 . ?
C140 C141 1.392(15) . ?
C141 H141 0.9500 . ?
C141 C142 1.380(15) . ?
C142 C143 1.505(17) . ?
C143 C144 1.56(2) . ?
C143 C145 1.49(2) . ?
C143 C146 1.56(2) . ?
C144 H14A 0.9800 . ?
C144 H14B 0.9800 . ?
C144 H14C 0.9800 . ?
C145 H14D 0.9800 . ?
C145 H14E 0.9800 . ?
C145 H14F 0.9800 . ?
C146 H14G 0.9800 . ?
C146 H14H 0.9800 . ?
C146 H14I 0.9800 . ?
C147 C148 1.354(13) . ?
C148 H148 0.9500 . ?
C148 C149 1.378(14) . ?
C149 C150 1.542(14) . ?
C150 C151 1.495(15) . ?
C150 C152 1.524(16) . ?
C150 C153 1.588(16) . ?
C150 C251 1.552(17) . ?
C150 C252 1.527(17) . ?
C150 C253 1.509(17) . ?
C151 H15A 0.9800 . ?
C151 H15B 0.9800 . ?
C151 H15C 0.9800 . ?
C152 H15D 0.9800 . ?
C152 H15E 0.9800 . ?
C152 H15F 0.9800 . ?
C153 H15G 0.9800 . ?
C153 H15H 0.9800 . ?
C153 H15I 0.9800 . ?
C251 H25A 0.9800 . ?
C251 H25B 0.9800 . ?
C251 H25C 0.9800 . ?
C252 H25D 0.9800 . ?
C252 H25E 0.9800 . ?
C252 H25F 0.9800 . ?
C253 H25G 0.9800 . ?
C253 H25H 0.9800 . ?
C253 H25I 0.9800 . ?
C154 H154 0.9500 . ?
C154 C155 1.360(14) . ?
C155 C156 1.379(12) . ?
C155 C159 1.547(15) . ?
C156 H156 0.9500 . ?
C156 C157 1.355(15) . ?
C157 C158 1.400(14) . ?
C157 C166 1.493(12) . ?
C158 H158 0.9500 . ?
C159 C160 1.392(13) . ?
C160 H160 0.9500 . ?
C160 C161 1.415(16) . ?
C161 C162 1.537(13) . ?
C162 C163 1.54(2) . ?
C162 C164 1.58(2) . ?
C162 C165 1.57(2) . ?
C163 H16A 0.9800 . ?
C163 H16B 0.9800 . ?
C163 H16C 0.9800 . ?
C164 H16D 0.9800 . ?
C164 H16E 0.9800 . ?
C164 H16F 0.9800 . ?
C165 H16G 0.9800 . ?
C165 H16H 0.9800 . ?
C165 H16I 0.9800 . ?
C166 C167 1.402(15) . ?
C167 H167 0.9500 . ?
C167 C168 1.356(15) . ?
C168 C169 1.513(14) . ?
C169 C170 1.567(15) . ?
C169 C171 1.50(3) . ?
C169 C172 1.52(2) . ?
C170 H17A 0.9800 . ?
C170 H17B 0.9800 . ?
C170 H17C 0.9800 . ?
C171 H17D 0.9800 . ?
C171 H17E 0.9800 . ?
C171 H17F 0.9800 . ?
C172 H17G 0.9800 . ?
C172 H17H 0.9800 . ?
C172 H17I 0.9800 . ?
C173 C174 1.384(17) . ?
C173 C177 1.426(17) . ?
C173 C178 1.477(18) . ?
C174 C175 1.40(2) . ?
C174 C179 1.54(2) . ?
C175 C176 1.386(16) . ?
C175 C180 1.531(15) . ?
C176 C177 1.455(16) . ?
C176 C181 1.56(2) . ?
C177 C182 1.54(2) . ?
C178 H17J 0.9800 . ?
C178 H17K 0.9800 . ?
C178 H17L 0.9800 . ?
C179 H17M 0.9800 . ?
C179 H17N 0.9800 . ?
C179 H17O 0.9800 . ?
C180 H18A 0.9800 . ?
C180 H18B 0.9800 . ?
C180 H18C 0.9800 . ?
C181 H18D 0.9800 . ?
C181 H18E 0.9800 . ?
C181 H18F 0.9800 . ?
C182 H18G 0.9800 . ?
C182 H18H 0.9800 . ?
C182 H18I 0.9800 . ?
C183 C184 1.450(17) . ?
C183 C187 1.42(2) . ?
C183 C188 1.455(17) . ?
C184 C185 1.433(17) . ?
C184 C189 1.47(2) . ?
C185 C186 1.401(18) . ?
C185 C190 1.501(14) . ?
C186 C187 1.447(15) . ?
C186 C191 1.502(19) . ?
C187 C192 1.525(18) . ?
C188 H18J 0.9800 . ?
C188 H18K 0.9800 . ?
C188 H18L 0.9800 . ?
C189 H18M 0.9800 . ?
C189 H18N 0.9800 . ?
C189 H18O 0.9800 . ?
C190 H19A 0.9800 . ?
C190 H19B 0.9800 . ?
C190 H19C 0.9800 . ?
C191 H19D 0.9800 . ?
C191 H19E 0.9800 . ?
C191 H19F 0.9800 . ?
C192 H19G 0.9800 . ?
C192 H19H 0.9800 . ?
C192 H19I 0.9800 . ?
C199 C200 1.47(3) . ?
C199 C212 1.43(3) . ?
C199 C213 1.38(3) . ?
C200 H200 0.9500 . ?
C200 C201 1.28(3) . ?
C201 H201 0.9500 . ?
C201 C202 1.44(4) . ?
C202 C203 1.426(17) . ?
C202 C214 1.40(3) . ?
C203 H203 0.9500 . ?
C203 C204 1.383(18) . ?
C204 H204 0.9500 . ?
C204 C205 1.30(3) . ?
C205 H205 0.9500 . ?
C205 C206 1.38(3) . ?
C206 C207 1.54(4) . ?
C206 C214 1.40(3) . ?
C207 H207 0.9500 . ?
C207 C208 1.23(4) . ?
C208 H208 0.9500 . ?
C208 C209 1.37(3) . ?
C209 C210 1.42(3) . ?
C209 C213 1.44(3) . ?
C210 H210 0.9500 . ?
C210 C211 1.29(4) . ?
C211 H211 0.9500 . ?
C211 C212 1.32(4) . ?
C212 H212 0.9500 . ?
C213 C214 1.45(3) . ?
C215 H215 0.9500 . ?
C215 C216 1.35(3) . ?
C215 C221 1.32(3) 2_575 ?
C216 H216 0.9500 . ?
C216 C217 1.49(3) . ?
C217 C218 1.30(2) . ?
C217 C222 1.45(2) . ?
C218 H218 0.9500 . ?
C218 C219 1.44(4) . ?
C219 H219 0.9500 . ?
C219 C220 1.39(4) . ?
C220 H220 0.9500 . ?
C220 C221 1.45(3) . ?
C221 C215 1.32(3) 2_575 ?
C221 C222 1.35(2) . ?
C222 C222 1.44(3) 2_575 ?
C223 H22G 0.9800 . ?
C223 H22H 0.9800 . ?
C223 H22I 0.9800 . ?
C223 C224 1.53(2) . ?
C224 H22J 0.9900 . ?
C224 H22K 0.9900 . ?
C224 O55 1.49(2) . ?
C225 H22L 0.9900 . ?
C225 H22M 0.9900 . ?
C225 C226 1.48(2) . ?
C225 O55 1.47(2) . ?
C226 H22N 0.9800 . ?
C226 H22O 0.9800 . ?
C226 H22P 0.9800 . ?
C227 H22D 0.9800 . ?
C227 H22E 0.9800 . ?
C227 H22F 0.9800 . ?
C227 O60 1.440(16) . ?
C228 O62 1.42(3) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Rh1 C89 115.9(4) . . ?
N1 Rh1 C90 95.6(4) . . ?
N1 Rh1 C92 149.4(4) . . ?
O1 Rh1 N1 85.8(3) . . ?
O1 Rh1 O2 76.6(2) . . ?
O1 Rh1 C89 106.3(4) . . ?
O1 Rh1 C90 141.0(4) . . ?
O1 Rh1 C91 164.3(4) . . ?
O1 Rh1 C92 123.9(4) . . ?
O2 Rh1 N1 86.0(3) . . ?
O2 Rh1 C89 158.0(4) . . ?
O2 Rh1 C90 142.4(4) . . ?
O2 Rh1 C91 104.6(3) . . ?
O2 Rh1 C92 93.5(4) . . ?
C89 Rh1 C90 39.0(4) . . ?
C89 Rh1 C92 66.5(4) . . ?
C90 Rh1 C92 66.8(4) . . ?
C91 Rh1 N1 109.9(4) . . ?
C91 Rh1 C89 66.7(4) . . ?
C91 Rh1 C90 39.8(4) . . ?
C91 Rh1 C92 40.8(4) . . ?
C93 Rh1 N1 155.7(4) . . ?
C93 Rh1 O1 97.6(4) . . ?
C93 Rh1 O2 118.2(4) . . ?
C93 Rh1 C89 40.1(4) . . ?
C93 Rh1 C90 66.8(4) . . ?
C93 Rh1 C91 67.8(5) . . ?
C93 Rh1 C92 39.7(5) . . ?
N3 Rh2 O3 84.1(2) . . ?
N3 Rh2 C99 154.3(3) . . ?
N3 Rh2 C102 113.3(3) . . ?
N3 Rh2 C103 152.4(3) . . ?
O3 Rh2 C99 98.0(3) . . ?
O3 Rh2 C102 162.6(3) . . ?
O3 Rh2 C103 122.9(3) . . ?
O4 Rh2 N3 83.3(3) . . ?
O4 Rh2 O3 76.3(2) . . ?
O4 Rh2 C99 122.2(3) . . ?
O4 Rh2 C100 160.9(3) . . ?
O4 Rh2 C101 140.4(3) . . ?
O4 Rh2 C102 105.3(3) . . ?
O4 Rh2 C103 96.8(3) . . ?
C99 Rh2 C102 66.2(4) . . ?
C99 Rh2 C103 38.7(4) . . ?
C100 Rh2 N3 115.5(3) . . ?
C100 Rh2 O3 107.4(4) . . ?
C100 Rh2 C99 39.4(4) . . ?
C100 Rh2 C102 65.4(4) . . ?
C100 Rh2 C103 65.2(4) . . ?
C101 Rh2 N3 97.4(3) . . ?
C101 Rh2 O3 143.3(3) . . ?
C101 Rh2 C99 65.8(4) . . ?
C101 Rh2 C100 39.2(4) . . ?
C101 Rh2 C102 38.2(4) . . ?
C101 Rh2 C103 65.1(4) . . ?
C102 Rh2 C103 40.0(4) . . ?
N2 Rh3 O5 85.2(4) . . ?
N2 Rh3 O6 82.9(4) . . ?
N2 Rh3 C109 150.9(7) . . ?
N2 Rh3 C110 112.0(6) . . ?
N2 Rh3 C111 97.7(5) . . ?
O5 Rh3 O6 76.2(3) . . ?
O5 Rh3 C109 122.8(6) . . ?
O5 Rh3 C110 162.6(5) . . ?
O5 Rh3 C111 145.8(6) . . ?
O6 Rh3 C109 95.5(5) . . ?
O6 Rh3 C110 102.9(6) . . ?
C109 Rh3 C110 39.8(7) . . ?
C111 Rh3 O6 138.0(7) . . ?
C111 Rh3 C109 64.3(7) . . ?
C111 Rh3 C110 38.0(7) . . ?
C112 Rh3 N2 115.2(6) . . ?
C112 Rh3 O5 110.2(7) . . ?
C112 Rh3 O6 160.8(6) . . ?
C112 Rh3 C109 65.7(8) . . ?
C112 Rh3 C110 65.4(8) . . ?
C112 Rh3 C111 38.1(7) . . ?
C113 Rh3 N2 155.1(6) . . ?
C113 Rh3 O5 100.2(6) . . ?
C113 Rh3 O6 122.1(5) . . ?
C113 Rh3 C109 37.9(7) . . ?
C113 Rh3 C110 65.2(8) . . ?
C113 Rh3 C111 64.3(6) . . ?
C113 Rh3 C112 40.1(6) . . ?
N4 Rh4 O8 86.7(3) . . ?
N4 Rh4 C120 148.5(4) . . ?
O7 Rh4 N4 84.5(3) . . ?
O7 Rh4 O8 76.4(3) . . ?
O7 Rh4 C120 97.9(4) . . ?
O7 Rh4 C123 144.9(4) . . ?
O8 Rh4 C120 124.5(4) . . ?
C119 Rh4 N4 110.8(4) . . ?
C119 Rh4 O7 108.9(3) . . ?
C119 Rh4 O8 161.9(4) . . ?
C119 Rh4 C120 38.7(4) . . ?
C119 Rh4 C121 65.1(5) . . ?
C119 Rh4 C123 38.2(5) . . ?
C121 Rh4 N4 156.9(6) . . ?
C121 Rh4 O7 118.6(6) . . ?
C121 Rh4 O8 97.0(4) . . ?
C121 Rh4 C120 37.4(5) . . ?
C121 Rh4 C123 65.8(6) . . ?
C122 Rh4 N4 116.6(5) . . ?
C122 Rh4 O7 158.9(5) . . ?
C122 Rh4 O8 103.1(5) . . ?
C122 Rh4 C119 65.5(5) . . ?
C122 Rh4 C120 64.6(6) . . ?
C122 Rh4 C121 40.3(7) . . ?
C122 Rh4 C123 39.4(6) . . ?
C123 Rh4 N4 96.5(4) . . ?
C123 Rh4 O8 138.7(5) . . ?
C123 Rh4 C120 64.0(5) . . ?
Cu1' Cu1 O9 129.9(11) . . ?
Cu1' Cu1 O10 97.9(11) . . ?
Cu1' Cu1 O13 73.0(11) . . ?
Cu1' Cu1 O14 50.0(9) . . ?
Cu1' Cu1 O56 41.4(10) . . ?
O9 Cu1 O10 97.7(5) . . ?
O9 Cu1 O13 90.4(5) . . ?
O9 Cu1 O14 176.9(5) . . ?
O9 Cu1 O56 91.7(6) . . ?
O10 Cu1 O13 170.5(6) . . ?
O10 Cu1 O14 85.4(4) . . ?
O10 Cu1 O56 89.3(5) . . ?
O13 Cu1 O14 86.7(4) . . ?
O13 Cu1 O56 85.4(5) . . ?
O14 Cu1 O56 89.1(5) . . ?
Cu2' Cu2 O11 90.9(19) . . ?
Cu2' Cu2 O12 109(2) . . ?
Cu2' Cu2 O15 69.2(18) . . ?
Cu2' Cu2 O16 81.5(19) . . ?
O11 Cu2 O15 86.2(4) . . ?
O11 Cu2 O16 172.1(7) . . ?
O12 Cu2 O11 94.4(5) . . ?
O12 Cu2 O15 178.5(7) . . ?
O12 Cu2 O16 90.2(5) . . ?
O16 Cu2 O15 89.0(5) . . ?
Cu3' Cu3 O18 78.8(9) . . ?
Cu3' Cu3 O22 92.0(10) . . ?
Cu3' Cu3 O17 83.3(14) . . ?
Cu3' Cu3 O17' 68.2(16) . . ?
Cu3' Cu3 O21 107.8(13) . . ?
Cu3' Cu3 O21' 79.5(11) . . ?
O18 Cu3 O17' 88.5(13) . . ?
O22 Cu3 O18 86.7(4) . . ?
O22 Cu3 O17' 160.2(14) . . ?
O22 Cu3 O21 92.3(6) . . ?
O17 Cu3 O18 90.8(10) . . ?
O17 Cu3 O22 175.1(12) . . ?
O17 Cu3 O21 90.6(12) . . ?
O21 Cu3 O18 173.3(10) . . ?
O21' Cu3 O18 158.2(9) . . ?
O21' Cu3 O22 96.6(9) . . ?
O21' Cu3 O17' 81.1(14) . . ?
O19 Cu4 O23 88.0(4) . . ?
O20 Cu4 O19 91.1(4) . . ?
O20 Cu4 O23 176.0(8) . . ?
O24 Cu4 O19 178.6(8) . . ?
O24 Cu4 O20 88.9(4) . . ?
O24 Cu4 O23 92.0(4) . . ?
Cu1 Cu1' O9 38.0(9) . . ?
Cu1 Cu1' O10 65.1(10) . . ?
Cu1 Cu1' O13 89.3(12) . . ?
Cu1 Cu1' O14 114.9(11) . . ?
Cu1 Cu1' O56 127.2(12) . . ?
O10 Cu1' O9 80.3(4) . . ?
O13 Cu1' O9 80.7(6) . . ?
O13 Cu1' O10 154.2(7) . . ?
O13 Cu1' O56 100.5(6) . . ?
O14 Cu1' O9 152.7(6) . . ?
O14 Cu1' O10 89.7(4) . . ?
O14 Cu1' O13 99.6(5) . . ?
O14 Cu1' O56 114.3(7) . . ?
O56 Cu1' O9 92.2(7) . . ?
O56 Cu1' O10 97.4(6) . . ?
Cu2 Cu2' O11 73.0(17) . . ?
Cu2 Cu2' O12 56.3(18) . . ?
Cu2 Cu2' O15 94.5(19) . . ?
Cu2 Cu2' O16 82(2) . . ?
Cu2 Cu2' O57 155(2) . . ?
O11 Cu2' O12 84.7(6) . . ?
O11 Cu2' O57 104.6(9) . . ?
O12 Cu2' O57 98.9(10) . . ?
O15 Cu2' O11 87.1(6) . . ?
O15 Cu2' O12 150.8(8) . . ?
O15 Cu2' O16 92.8(7) . . ?
O15 Cu2' O57 110.3(10) . . ?
O16 Cu2' O11 155.1(8) . . ?
O16 Cu2' O12 83.4(7) . . ?
O16 Cu2' O57 98.8(9) . . ?
Cu3 Cu3' O18 80.3(9) . . ?
Cu3 Cu3' O22 68.0(10) . . ?
Cu3 Cu3' O17 75.5(13) . . ?
Cu3 Cu3' O17' 93.1(16) . . ?
Cu3 Cu3' O21 54.8(11) . . ?
Cu3 Cu3' O21' 79.0(11) . . ?
Cu3 Cu3' O58 166.8(13) . . ?
O18 Cu3' O22 82.9(4) . . ?
O18 Cu3' O17' 93.3(13) . . ?
O18 Cu3' O21 135.1(9) . . ?
O22 Cu3' O21 79.9(6) . . ?
O17 Cu3' O18 89.6(10) . . ?
O17 Cu3' O22 143.4(10) . . ?
O17 Cu3' O21 80.5(12) . . ?
O17' Cu3' O22 161.0(14) . . ?
O21' Cu3' O18 159.1(10) . . ?
O21' Cu3' O22 91.7(9) . . ?
O21' Cu3' O17' 85.2(16) . . ?
O21' Cu3' O58 90.3(11) . . ?
O58 Cu3' O18 110.6(8) . . ?
O58 Cu3' O22 105.0(8) . . ?
O58 Cu3' O17 111.1(11) . . ?
O58 Cu3' O17' 93.7(14) . . ?
O58 Cu3' O21 113.9(10) . . ?
O19 Cu4' O20 88.7(6) . . ?
O19 Cu4' O23 87.8(6) . . ?
O19 Cu4' O24 149.8(8) . . ?
O19 Cu4' O59 104.3(7) . . ?
O20 Cu4' O24 82.9(5) . . ?
O20 Cu4' O59 101.8(8) . . ?
O23 Cu4' O20 155.0(8) . . ?
O23 Cu4' O24 87.7(5) . . ?
O23 Cu4' O59 103.0(7) . . ?
O24 Cu4' O59 105.8(8) . . ?
C13 N1 Rh1 122.7(7) . . ?
C17 N1 Rh1 117.2(7) . . ?
C17 N1 C13 119.6(8) . . ?
C32 N2 Rh3 123.2(9) . . ?
C32 N2 C36 118.4(10) . . ?
C36 N2 Rh3 117.6(9) . . ?
C51 N3 Rh2 117.3(5) . . ?
C55 N3 Rh2 123.2(6) . . ?
C55 N3 C51 118.8(7) . . ?
C70 N4 Rh4 118.6(7) . . ?
C74 N4 Rh4 121.6(7) . . ?
C74 N4 C70 119.4(8) . . ?
C1 O1 Rh1 116.4(6) . . ?
C2 O2 Rh1 117.1(6) . . ?
C4 O3 Rh2 115.3(5) . . ?
C5 O4 Rh2 117.1(5) . . ?
C7 O5 Rh3 115.9(9) . . ?
C8 O6 Rh3 114.2(8) . . ?
C10 O7 Rh4 115.2(7) . . ?
C11 O8 Rh4 116.6(6) . . ?
Cu1 O9 Cu1' 12.0(3) . . ?
C20 O9 Cu1 128.3(9) . . ?
C20 O9 Cu1' 132.6(9) . . ?
Cu1 O10 Cu1' 17.06(19) . . ?
C18 O10 Cu1 122.3(7) . . ?
C18 O10 Cu1' 134.2(7) . . ?
Cu2 O11 Cu2' 16.0(3) . . ?
C25 O11 Cu2 123.1(7) . . ?
C25 O11 Cu2' 130.2(8) . . ?
Cu2 O12 Cu2' 14.4(3) . . ?
C27 O12 Cu2 124.4(10) . . ?
C27 O12 Cu2' 128.2(11) . . ?
Cu1' O13 Cu1 17.74(19) . . ?
C39 O13 Cu1 132.0(10) . . ?
C39 O13 Cu1' 119.6(11) . . ?
Cu1' O14 Cu1 15.1(2) . . ?
C37 O14 Cu1 126.7(9) . . ?
C37 O14 Cu1' 123.0(8) . . ?
Cu2' O15 Cu2 16.2(3) . . ?
C44 O15 Cu2 125.5(10) . . ?
C44 O15 Cu2' 125.5(9) . . ?
Cu2' O16 Cu2 16.3(3) . . ?
C46 O16 Cu2 128.5(9) . . ?
C46 O16 Cu2' 125.2(11) . . ?
Cu3' O18 Cu3 20.9(2) . . ?
C56 O18 Cu3 124.1(8) . . ?
C56 O18 Cu3' 122.8(8) . . ?
Cu4' O19 Cu4 14.8(3) . . ?
C63 O19 Cu4 125.6(6) . . ?
C63 O19 Cu4' 126.8(7) . . ?
Cu4 O20 Cu4' 14.4(3) . . ?
C65 O20 Cu4 128.0(8) . . ?
C65 O20 Cu4' 126.3(8) . . ?
Cu3 O22 Cu3' 20.0(2) . . ?
C75 O22 Cu3 123.7(8) . . ?
C75 O22 Cu3' 128.8(8) . . ?
Cu4 O23 Cu4' 14.6(3) . . ?
C82 O23 Cu4 126.6(6) . . ?
C82 O23 Cu4' 129.3(7) . . ?
Cu4 O24 Cu4' 14.0(4) . . ?
C84 O24 Cu4 127.9(8) . . ?
C84 O24 Cu4' 128.0(8) . . ?
C129 O25 Rh5 115.9(6) . . ?
C130 O26 Rh5 114.8(5) . . ?
C132 O27 Rh6 116.4(5) . . ?
C133 O28 Rh6 116.7(5) . . ?
C142 O29 Cu5 126.8(7) . . ?
C140 O30 Cu5 126.4(7) . . ?
C147 O31 Cu6 125.1(6) . . ?
C149 O32 Cu6 126.3(7) . . ?
C166 O35 Cu6 125.1(6) . . ?
C168 O36 Cu6 127.2(6) . . ?
C161 O33 Cu5 127.2(7) . . ?
C159 O34 Cu5 125.6(7) . . ?
O37 S1 O38 112.8(14) . . ?
O37 S1 O39 110.9(13) . . ?
O37 S1 C193 100.0(13) . . ?
O38 S1 O39 120.9(14) . . ?
O38 S1 C193 102.4(16) . . ?
O39 S1 C193 107.1(12) . . ?
O40 S2 C194 102.3(13) . . ?
O41 S2 O40 106.2(15) . . ?
O41 S2 O42 111.0(17) . . ?
O41 S2 C194 106.6(18) . . ?
O42 S2 O40 120.2(15) . . ?
O42 S2 C194 109.7(19) . . ?
O43 S3 O44 124.1(14) . . ?
O43 S3 O45 124.6(15) . . ?
O43 S3 C195 91.5(14) . . ?
O44 S3 O45 109.1(15) . . ?
O44 S3 C195 109.5(15) . . ?
O45 S3 C195 84.1(19) . . ?
O46 S4 O47 137.6(15) . . ?
O46 S4 O48 110.1(15) . . ?
O46 S4 C196 98.9(15) . . ?
O47 S4 O48 103.9(15) . . ?
O47 S4 C196 101.7(14) . . ?
O48 S4 C196 97(2) . . ?
O1 C1 C2 115.9(8) . . ?
O1 C1 C6 125.3(9) . . ?
C6 C1 C2 118.8(9) . . ?
O2 C2 C1 113.9(8) . . ?
O2 C2 C3 128.1(8) . . ?
C3 C2 C1 118.0(8) . . ?
C2 C3 Cl1 118.4(7) . . ?
C2 C3 C4 123.0(8) . . ?
C4 C3 Cl1 118.5(7) . . ?
O3 C4 C3 125.0(8) . . ?
O3 C4 C5 117.0(7) . . ?
C3 C4 C5 118.0(7) . . ?
O4 C5 C4 114.2(7) . . ?
O4 C5 C6 126.1(8) . . ?
C6 C5 C4 119.6(8) . . ?
C1 C6 Cl2 119.4(7) . . ?
C5 C6 Cl2 118.5(8) . . ?
C5 C6 C1 122.1(9) . . ?
O5 C7 C8 116.6(12) . . ?
O5 C7 C12 123.4(12) . . ?
C12 C7 C8 119.8(10) . . ?
O6 C8 C7 117.1(10) . . ?
O6 C8 C9 123.3(12) . . ?
C9 C8 C7 119.6(12) . . ?
C8 C9 Cl3 119.0(9) . . ?
C10 C9 Cl3 121.7(8) . . ?
C10 C9 C8 119.3(11) . . ?
O7 C10 C9 122.0(9) . . ?
O7 C10 C11 117.7(10) . . ?
C9 C10 C11 120.3(9) . . ?
O8 C11 C10 113.8(9) . . ?
O8 C11 C12 125.8(11) . . ?
C12 C11 C10 120.4(10) . . ?
C7 C12 Cl4 119.7(8) . . ?
C11 C12 Cl4 120.2(10) . . ?
C11 C12 C7 120.1(11) . . ?
N1 C13 H13 119.9 . . ?
C14 C13 N1 120.2(9) . . ?
C14 C13 H13 119.9 . . ?
C13 C14 C15 121.8(10) . . ?
C13 C14 C18 122.4(10) . . ?
C15 C14 C18 115.6(10) . . ?
C14 C15 H15 120.1 . . ?
C14 C15 C16 119.7(10) . . ?
C16 C15 H15 120.1 . . ?
C15 C16 C17 116.5(9) . . ?
C15 C16 C25 120.6(9) . . ?
C17 C16 C25 122.9(9) . . ?
N1 C17 C16 121.9(9) . . ?
N1 C17 H17 119.1 . . ?
C16 C17 H17 119.1 . . ?
O10 C18 C14 115.3(9) . . ?
O10 C18 C19 127.0(11) . . ?
C19 C18 C14 117.7(11) . . ?
C18 C19 H19 119.7 . . ?
C18 C19 C20 120.7(14) . . ?
C20 C19 H19 119.7 . . ?
O9 C20 C19 123.5(13) . . ?
O9 C20 C21 118.8(14) . . ?
C19 C20 C21 117.7(15) . . ?
C20 C21 C22 103.5(17) . . ?
C20 C21 C23 115.8(15) . . ?
C23 C21 C22 107.9(16) . . ?
C24 C21 C20 107.2(15) . . ?
C24 C21 C22 114.8(19) . . ?
C24 C21 C23 108(2) . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
O11 C25 C16 112.3(9) . . ?
O11 C25 C26 126.6(11) . . ?
C26 C25 C16 121.1(10) . . ?
C25 C26 H26 117.6 . . ?
C25 C26 C27 124.7(13) . . ?
C27 C26 H26 117.6 . . ?
O12 C27 C26 123.7(16) . . ?
O12 C27 C28 110.2(15) . . ?
C26 C27 C28 123.9(15) . . ?
C27 C28 C29 109.8(19) . . ?
C27 C28 C30 111(2) . . ?
C27 C28 C31 106.9(16) . . ?
C27 C28 C29' 116(2) . . ?
C27 C28 C30' 93(2) . . ?
C27 C28 C31' 118(2) . . ?
C29 C28 C31 109.0(19) . . ?
C30 C28 C29 112(2) . . ?
C30 C28 C31 107.4(18) . . ?
C30' C28 C29' 109.2(19) . . ?
C30' C28 C31' 112.9(19) . . ?
C31' C28 C29' 107.2(17) . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C28 C31 H31A 109.5 . . ?
C28 C31 H31B 109.5 . . ?
C28 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C28 C29' H29D 109.5 . . ?
C28 C29' H29E 109.5 . . ?
C28 C29' H29F 109.5 . . ?
H29D C29' H29E 109.5 . . ?
H29D C29' H29F 109.5 . . ?
H29E C29' H29F 109.5 . . ?
C28 C30' H30D 109.5 . . ?
C28 C30' H30E 109.5 . . ?
C28 C30' H30F 109.5 . . ?
H30D C30' H30E 109.5 . . ?
H30D C30' H30F 109.5 . . ?
H30E C30' H30F 109.5 . . ?
C28 C31' H31D 109.5 . . ?
C28 C31' H31E 109.5 . . ?
C28 C31' H31F 109.5 . . ?
H31D C31' H31E 109.5 . . ?
H31D C31' H31F 109.5 . . ?
H31E C31' H31F 109.5 . . ?
N2 C32 H32 117.2 . . ?
N2 C32 C33 125.6(13) . . ?
C33 C32 H32 117.2 . . ?
C32 C33 C37 126.1(12) . . ?
C34 C33 C32 114.1(12) . . ?
C34 C33 C37 119.8(10) . . ?
C33 C34 H34 119.6 . . ?
C33 C34 C35 120.8(10) . . ?
C35 C34 H34 119.6 . . ?
C34 C35 C44 117.9(10) . . ?
C36 C35 C34 117.8(13) . . ?
C36 C35 C44 124.1(12) . . ?
N2 C36 C35 123.2(14) . . ?
N2 C36 H36 118.4 . . ?
C35 C36 H36 118.4 . . ?
O14 C37 C33 111.9(10) . . ?
O14 C37 C38 127.2(14) . . ?
C38 C37 C33 120.8(12) . . ?
C37 C38 H38 117.5 . . ?
C37 C38 C39 125.0(14) . . ?
C39 C38 H38 117.5 . . ?
O13 C39 C38 121.1(12) . . ?
O13 C39 C40 126.5(15) . . ?
O13 C39 C40' 103.3(16) . . ?
C38 C39 C40 111.1(16) . . ?
C38 C39 C40' 131.0(15) . . ?
C41 C40 C39 104.3(16) . . ?
C42 C40 C39 122.1(18) . . ?
C42 C40 C41 110.4(17) . . ?
C42 C40 C43 106.0(16) . . ?
C43 C40 C39 104.4(17) . . ?
C43 C40 C41 109.1(17) . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C40 C42 H42A 109.5 . . ?
C40 C42 H42B 109.5 . . ?
C40 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C40 C43 H43A 109.5 . . ?
C40 C43 H43B 109.5 . . ?
C40 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C41' C40' C39 116(2) . . ?
C41' C40' C42' 108(2) . . ?
C41' C40' C43' 109(2) . . ?
C42' C40' C39 103.8(19) . . ?
C42' C40' C43' 110(2) . . ?
C43' C40' C39 110(3) . . ?
C40' C41' H41D 109.5 . . ?
C40' C41' H41E 109.5 . . ?
C40' C41' H41F 109.5 . . ?
H41D C41' H41E 109.5 . . ?
H41D C41' H41F 109.5 . . ?
H41E C41' H41F 109.5 . . ?
C40' C42' H42D 109.5 . . ?
C40' C42' H42E 109.5 . . ?
C40' C42' H42F 109.5 . . ?
H42D C42' H42E 109.5 . . ?
H42D C42' H42F 109.5 . . ?
H42E C42' H42F 109.5 . . ?
C40' C43' H43D 109.5 . . ?
C40' C43' H43E 109.5 . . ?
C40' C43' H43F 109.5 . . ?
H43D C43' H43E 109.5 . . ?
H43D C43' H43F 109.5 . . ?
H43E C43' H43F 109.5 . . ?
O15 C44 C35 115.6(12) . . ?
O15 C44 C45 125.9(14) . . ?
C45 C44 C35 118.5(12) . . ?
C44 C45 H45 116.6 . . ?
C44 C45 C46 126.8(14) . . ?
C46 C45 H45 116.6 . . ?
O16 C46 C45 121.9(12) . . ?
O16 C46 C47 117.3(13) . . ?
O16 C46 C47' 106.3(16) . . ?
C45 C46 C47 118.3(15) . . ?
C45 C46 C47' 130.5(16) . . ?
C46 C47 C48 92.0(18) . . ?
C46 C47 C49 109(2) . . ?
C46 C47 C50 118.3(19) . . ?
C48 C47 C50 114.8(19) . . ?
C49 C47 C48 110.7(19) . . ?
C49 C47 C50 110.5(18) . . ?
C47 C48 H48A 109.5 . . ?
C47 C48 H48B 109.5 . . ?
C47 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C47 C49 H49A 109.5 . . ?
C47 C49 H49B 109.5 . . ?
C47 C49 H49C 109.5 . . ?
H49A C49 H49B 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C47 C50 H50A 109.5 . . ?
C47 C50 H50B 109.5 . . ?
C47 C50 H50C 109.5 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C46 C47' C48' 101.2(18) . . ?
C46 C47' C49' 113(2) . . ?
C46 C47' C50' 124(2) . . ?
C48' C47' C49' 104.9(19) . . ?
C48' C47' C50' 106.0(17) . . ?
C49' C47' C50' 105.6(17) . . ?
C47' C48' H48D 109.5 . . ?
C47' C48' H48E 109.5 . . ?
C47' C48' H48F 109.5 . . ?
H48D C48' H48E 109.5 . . ?
H48D C48' H48F 109.5 . . ?
H48E C48' H48F 109.5 . . ?
C47' C49' H49D 109.5 . . ?
C47' C49' H49E 109.5 . . ?
C47' C49' H49F 109.5 . . ?
H49D C49' H49E 109.5 . . ?
H49D C49' H49F 109.5 . . ?
H49E C49' H49F 109.5 . . ?
C47' C50' H50D 109.5 . . ?
C47' C50' H50E 109.5 . . ?
C47' C50' H50F 109.5 . . ?
H50D C50' H50E 109.5 . . ?
H50D C50' H50F 109.5 . . ?
H50E C50' H50F 109.5 . . ?
N3 C51 H51 119.6 . . ?
N3 C51 C52 120.8(8) . . ?
C52 C51 H51 119.6 . . ?
C51 C52 C56 121.2(9) . . ?
C53 C52 C51 120.3(9) . . ?
C53 C52 C56 118.5(9) . . ?
C52 C53 H53 120.8 . . ?
C54 C53 C52 118.4(9) . . ?
C54 C53 H53 120.8 . . ?
C53 C54 C55 118.3(9) . . ?
C53 C54 C63 116.9(8) . . ?
C55 C54 C63 124.7(8) . . ?
N3 C55 C54 123.4(8) . . ?
N3 C55 H55 118.3 . . ?
C54 C55 H55 118.3 . . ?
O18 C56 C52 113.2(10) . . ?
O18 C56 C57 127.6(12) . . ?
O18 C56 C57' 127.6(12) . . ?
C57 C56 C52 118.8(11) . . ?
C57' C56 C52 118.8(11) . . ?
C56 C57 H57 120.7 . . ?
C56 C57 C58 118.7(15) . . ?
C58 C57 H57 120.7 . . ?
C59 C58 C57 116.6(18) . . ?
O17 C58 C57 116(2) . . ?
O17 C58 C59 116(2) . . ?
C58 C59 C60 106.9(18) . . ?
C58 C59 C61 111.8(18) . . ?
C58 C59 C62 111(2) . . ?
C61 C59 C60 108.3(18) . . ?
C61 C59 C62 109.3(17) . . ?
C62 C59 C60 109.6(18) . . ?
C59 C60 H60A 109.5 . . ?
C59 C60 H60B 109.5 . . ?
C59 C60 H60C 109.5 . . ?
H60A C60 H60B 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C59 C61 H61A 109.5 . . ?
C59 C61 H61B 109.5 . . ?
C59 C61 H61C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C59 C62 H62A 109.5 . . ?
C59 C62 H62B 109.5 . . ?
C59 C62 H62C 109.5 . . ?
H62A C62 H62B 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
Cu3 O17 Cu3' 21.2(4) . . ?
C58 O17 Cu3 128(2) . . ?
C58 O17 Cu3' 131(2) . . ?
C56 C57' H57' 116.2 . . ?
C56 C57' C58' 127.5(15) . . ?
C58' C57' H57' 116.2 . . ?
C57' C58' C59' 125(2) . . ?
O17' C58' C57' 119(2) . . ?
O17' C58' C59' 113(3) . . ?
C58' C59' C60' 110.3(17) . . ?
C58' C59' C61' 103.1(19) . . ?
C58' C59' C62' 112(2) . . ?
C60' C59' C61' 109.2(18) . . ?
C62' C59' C60' 112.8(18) . . ?
C62' C59' C61' 109.4(17) . . ?
C59' C60' H60D 109.5 . . ?
C59' C60' H60E 109.5 . . ?
C59' C60' H60F 109.5 . . ?
H60D C60' H60E 109.5 . . ?
H60D C60' H60F 109.5 . . ?
H60E C60' H60F 109.5 . . ?
C59' C61' H61D 109.5 . . ?
C59' C61' H61E 109.5 . . ?
C59' C61' H61F 109.5 . . ?
H61D C61' H61E 109.5 . . ?
H61D C61' H61F 109.5 . . ?
H61E C61' H61F 109.5 . . ?
C59' C62' H62D 109.5 . . ?
C59' C62' H62E 109.5 . . ?
C59' C62' H62F 109.5 . . ?
H62D C62' H62E 109.5 . . ?
H62D C62' H62F 109.5 . . ?
H62E C62' H62F 109.5 . . ?
Cu3' O17' Cu3 18.7(4) . . ?
C58' O17' Cu3 126(3) . . ?
C58' O17' Cu3' 126(3) . . ?
O19 C63 C54 113.5(8) . . ?
O19 C63 C64 126.0(9) . . ?
C64 C63 C54 120.5(8) . . ?
C63 C64 H64 116.9 . . ?
C63 C64 C65 126.3(9) . . ?
C65 C64 H64 116.9 . . ?
O20 C65 C64 122.4(10) . . ?
O20 C65 C66 115.1(11) . . ?
C64 C65 C66 122.3(10) . . ?
C65 C66 C68 109.2(13) . . ?
C67 C66 C65 111.6(11) . . ?
C67 C66 C68 102.2(16) . . ?
C69 C66 C65 107.2(16) . . ?
C69 C66 C67 111.7(17) . . ?
C69 C66 C68 115(2) . . ?
C66 C67 H67A 109.5 . . ?
C66 C67 H67B 109.5 . . ?
C66 C67 H67C 109.5 . . ?
H67A C67 H67B 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
C66 C68 H68A 109.5 . . ?
C66 C68 H68B 109.5 . . ?
C66 C68 H68C 109.5 . . ?
H68A C68 H68B 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
C66 C69 H69A 109.5 . . ?
C66 C69 H69B 109.5 . . ?
C66 C69 H69C 109.5 . . ?
H69A C69 H69B 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
N4 C70 H70 119.3 . . ?
N4 C70 C71 121.4(9) . . ?
C71 C70 H70 119.3 . . ?
C70 C71 C75 122.0(9) . . ?
C72 C71 C70 118.0(10) . . ?
C72 C71 C75 120.0(9) . . ?
C71 C72 H72 119.5 . . ?
C73 C72 C71 120.9(9) . . ?
C73 C72 H72 119.5 . . ?
C72 C73 C74 117.5(9) . . ?
C72 C73 C82 118.5(8) . . ?
C74 C73 C82 123.8(9) . . ?
N4 C74 C73 122.6(10) . . ?
N4 C74 H74 118.7 . . ?
C73 C74 H74 118.7 . . ?
O22 C75 C71 112.7(10) . . ?
O22 C75 C76 124.9(13) . . ?
O22 C75 C76' 124.9(13) . . ?
C76 C75 C71 122.4(11) . . ?
C76' C75 C71 122.4(11) . . ?
C75 C76 H76 115.6 . . ?
C75 C76 C77 128.9(16) . . ?
C77 C76 H76 115.6 . . ?
C76 C77 C78 124(2) . . ?
O21 C77 C76 109(2) . . ?
O21 C77 C78 97(2) . . ?
C77 C78 C81 129(3) . . ?
C79 C78 C77 105(2) . . ?
C79 C78 C81 106(2) . . ?
C80 C78 C77 98(2) . . ?
C80 C78 C79 108(2) . . ?
C80 C78 C81 108(2) . . ?
C78 C79 H79A 109.5 . . ?
C78 C79 H79B 109.5 . . ?
C78 C79 H79C 109.5 . . ?
H79A C79 H79B 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 109.5 . . ?
C78 C80 H80A 109.5 . . ?
C78 C80 H80B 109.5 . . ?
C78 C80 H80C 109.5 . . ?
H80A C80 H80B 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
C78 C81 H81A 109.5 . . ?
C78 C81 H81B 109.5 . . ?
C78 C81 H81C 109.5 . . ?
H81A C81 H81B 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?
Cu3 O21 Cu3' 17.4(3) . . ?
C77 O21 Cu3 130.4(17) . . ?
C77 O21 Cu3' 134.9(16) . . ?
C75 C76' H76' 120.4 . . ?
C75 C76' C77' 119.2(17) . . ?
C77' C76' H76' 120.4 . . ?
C78' C77' C76' 115(2) . . ?
O21' C77' C76' 126(2) . . ?
O21' C77' C78' 116(2) . . ?
C77' C78' C79' 131(3) . . ?
C80' C78' C77' 95(2) . . ?
C80' C78' C79' 106.8(19) . . ?
C81' C78' C77' 107(4) . . ?
C81' C78' C79' 107(2) . . ?
C81' C78' C80' 109(2) . . ?
C78' C79' H79D 109.5 . . ?
C78' C79' H79E 109.5 . . ?
C78' C79' H79F 109.5 . . ?
H79D C79' H79E 109.5 . . ?
H79D C79' H79F 109.5 . . ?
H79E C79' H79F 109.5 . . ?
C78' C80' H80D 109.5 . . ?
C78' C80' H80E 109.5 . . ?
C78' C80' H80F 109.5 . . ?
H80D C80' H80E 109.5 . . ?
H80D C80' H80F 109.5 . . ?
H80E C80' H80F 109.5 . . ?
C78' C81' H81D 109.5 . . ?
C78' C81' H81E 109.5 . . ?
C78' C81' H81F 109.5 . . ?
H81D C81' H81E 109.5 . . ?
H81D C81' H81F 109.5 . . ?
H81E C81' H81F 109.5 . . ?
Cu3 O21' Cu3' 21.5(3) . . ?
C77' O21' Cu3 117.2(18) . . ?
C77' O21' Cu3' 126(2) . . ?
O23 C82 C73 114.2(8) . . ?
O23 C82 C83 125.3(9) . . ?
C83 C82 C73 120.2(8) . . ?
C82 C83 H83 118.7 . . ?
C82 C83 C84 122.5(9) . . ?
C84 C83 H83 118.7 . . ?
O24 C84 C83 124.5(10) . . ?
O24 C84 C85 114.0(11) . . ?
C83 C84 C85 121.4(10) . . ?
C84 C85 C88 106.3(15) . . ?
C86 C85 C84 108.1(13) . . ?
C86 C85 C87 107.3(17) . . ?
C86 C85 C88 109.9(18) . . ?
C87 C85 C84 113.2(14) . . ?
C87 C85 C88 112.0(17) . . ?
C85 C86 H86A 109.5 . . ?
C85 C86 H86B 109.5 . . ?
C85 C86 H86C 109.5 . . ?
H86A C86 H86B 109.5 . . ?
H86A C86 H86C 109.5 . . ?
H86B C86 H86C 109.5 . . ?
C85 C87 H87A 109.5 . . ?
C85 C87 H87B 109.5 . . ?
C85 C87 H87C 109.5 . . ?
H87A C87 H87B 109.5 . . ?
H87A C87 H87C 109.5 . . ?
H87B C87 H87C 109.5 . . ?
C85 C88 H88A 109.5 . . ?
C85 C88 H88B 109.5 . . ?
C85 C88 H88C 109.5 . . ?
H88A C88 H88B 109.5 . . ?
H88A C88 H88C 109.5 . . ?
H88B C88 H88C 109.5 . . ?
C90 C89 Rh1 70.6(6) . . ?
C90 C89 C93 108.2(10) . . ?
C90 C89 C94 126.4(11) . . ?
C93 C89 Rh1 68.4(6) . . ?
C93 C89 C94 125.3(12) . . ?
C94 C89 Rh1 124.9(9) . . ?
C89 C90 Rh1 70.4(6) . . ?
C89 C90 C91 109.2(9) . . ?
C89 C90 C95 125.2(11) . . ?
C91 C90 Rh1 69.8(5) . . ?
C95 C90 Rh1 125.6(8) . . ?
C95 C90 C91 125.6(12) . . ?
C90 C91 Rh1 70.4(5) . . ?
C90 C91 C92 106.7(10) . . ?
C92 C91 Rh1 70.4(6) . . ?
C96 C91 Rh1 128.7(9) . . ?
C96 C91 C90 127.9(12) . . ?
C96 C91 C92 125.1(12) . . ?
C91 C92 Rh1 68.8(6) . . ?
C93 C92 Rh1 68.0(7) . . ?
C93 C92 C91 106.9(10) . . ?
C93 C92 C97 123.9(12) . . ?
C97 C92 Rh1 126.2(9) . . ?
C97 C92 C91 129.1(13) . . ?
C89 C93 Rh1 71.5(7) . . ?
C89 C93 C98 125.9(13) . . ?
C92 C93 Rh1 72.3(7) . . ?
C92 C93 C89 108.7(10) . . ?
C92 C93 C98 124.8(12) . . ?
C98 C93 Rh1 129.0(9) . . ?
C89 C94 H94A 109.5 . . ?
C89 C94 H94B 109.5 . . ?
C89 C94 H94C 109.5 . . ?
H94A C94 H94B 109.5 . . ?
H94A C94 H94C 109.5 . . ?
H94B C94 H94C 109.5 . . ?
C90 C95 H95A 109.5 . . ?
C90 C95 H95B 109.5 . . ?
C90 C95 H95C 109.5 . . ?
H95A C95 H95B 109.5 . . ?
H95A C95 H95C 109.5 . . ?
H95B C95 H95C 109.5 . . ?
C91 C96 H96A 109.5 . . ?
C91 C96 H96B 109.5 . . ?
C91 C96 H96C 109.5 . . ?
H96A C96 H96B 109.5 . . ?
H96A C96 H96C 109.5 . . ?
H96B C96 H96C 109.5 . . ?
C92 C97 H97A 109.5 . . ?
C92 C97 H97B 109.5 . . ?
C92 C97 H97C 109.5 . . ?
H97A C97 H97B 109.5 . . ?
H97A C97 H97C 109.5 . . ?
H97B C97 H97C 109.5 . . ?
C93 C98 H98A 109.5 . . ?
C93 C98 H98B 109.5 . . ?
C93 C98 H98C 109.5 . . ?
H98A C98 H98B 109.5 . . ?
H98A C98 H98C 109.5 . . ?
H98B C98 H98C 109.5 . . ?
C100 C99 Rh2 69.7(5) . . ?
C100 C99 C104 126.9(10) . . ?
C103 C99 Rh2 71.8(5) . . ?
C103 C99 C100 107.7(9) . . ?
C103 C99 C104 125.4(10) . . ?
C104 C99 Rh2 124.9(7) . . ?
C99 C100 Rh2 70.9(5) . . ?
C99 C100 C105 125.1(11) . . ?
C101 C100 Rh2 70.3(5) . . ?
C101 C100 C99 108.0(9) . . ?
C101 C100 C105 126.9(11) . . ?
C105 C100 Rh2 125.6(8) . . ?
C100 C101 Rh2 70.4(5) . . ?
C100 C101 C106 125.0(11) . . ?
C102 C101 Rh2 71.9(5) . . ?
C102 C101 C100 109.8(9) . . ?
C102 C101 C106 125.2(10) . . ?
C106 C101 Rh2 126.1(7) . . ?
C101 C102 Rh2 70.0(5) . . ?
C101 C102 C103 107.1(8) . . ?
C101 C102 C107 128.9(11) . . ?
C103 C102 Rh2 70.9(5) . . ?
C103 C102 C107 123.9(10) . . ?
C107 C102 Rh2 123.5(7) . . ?
C99 C103 Rh2 69.5(5) . . ?
C99 C103 C102 107.4(9) . . ?
C99 C103 C108 126.5(10) . . ?
C102 C103 Rh2 69.2(5) . . ?
C108 C103 Rh2 124.9(7) . . ?
C108 C103 C102 126.0(10) . . ?
C99 C104 H10A 109.5 . . ?
C99 C104 H10B 109.5 . . ?
C99 C104 H10C 109.5 . . ?
H10A C104 H10B 109.5 . . ?
H10A C104 H10C 109.5 . . ?
H10B C104 H10C 109.5 . . ?
C100 C105 H10D 109.5 . . ?
C100 C105 H10E 109.5 . . ?
C100 C105 H10F 109.5 . . ?
H10D C105 H10E 109.5 . . ?
H10D C105 H10F 109.5 . . ?
H10E C105 H10F 109.5 . . ?
C101 C106 H10G 109.5 . . ?
C101 C106 H10H 109.5 . . ?
C101 C106 H10I 109.5 . . ?
H10G C106 H10H 109.5 . . ?
H10G C106 H10I 109.5 . . ?
H10H C106 H10I 109.5 . . ?
C102 C107 H10J 109.5 . . ?
C102 C107 H10K 109.5 . . ?
C102 C107 H10L 109.5 . . ?
H10J C107 H10K 109.5 . . ?
H10J C107 H10L 109.5 . . ?
H10K C107 H10L 109.5 . . ?
C103 C108 H10M 109.5 . . ?
C103 C108 H10N 109.5 . . ?
C103 C108 H10O 109.5 . . ?
H10M C108 H10N 109.5 . . ?
H10M C108 H10O 109.5 . . ?
H10N C108 H10O 109.5 . . ?
C110 C109 Rh3 71.8(9) . . ?
C110 C109 C114 125(2) . . ?
C113 C109 Rh3 67.5(10) . . ?
C113 C109 C110 107.3(17) . . ?
C113 C109 C114 127.4(19) . . ?
C114 C109 Rh3 122.9(10) . . ?
C109 C110 Rh3 68.4(11) . . ?
C111 C110 Rh3 67.4(10) . . ?
C111 C110 C109 103(2) . . ?
C115 C110 Rh3 125.6(12) . . ?
C115 C110 C109 122.8(19) . . ?
C115 C110 C111 134(2) . . ?
C110 C111 Rh3 74.6(10) . . ?
C110 C111 C116 124(2) . . ?
C112 C111 Rh3 69.2(9) . . ?
C112 C111 C110 112.8(17) . . ?
C112 C111 C116 123(2) . . ?
C116 C111 Rh3 124.6(11) . . ?
C111 C112 Rh3 72.7(9) . . ?
C111 C112 C113 106.0(19) . . ?
C111 C112 C117 129.5(18) . . ?
C113 C112 Rh3 69.9(8) . . ?
C113 C112 C117 124(2) . . ?
C117 C112 Rh3 121.1(13) . . ?
C109 C113 Rh3 74.6(10) . . ?
C109 C113 C112 110.4(18) . . ?
C109 C113 C118 127.2(17) . . ?
C112 C113 Rh3 70.0(7) . . ?
C112 C113 C118 122(2) . . ?
C118 C113 Rh3 120.1(11) . . ?
C109 C114 H11A 109.5 . . ?
C109 C114 H11B 109.5 . . ?
C109 C114 H11C 109.5 . . ?
H11A C114 H11B 109.5 . . ?
H11A C114 H11C 109.5 . . ?
H11B C114 H11C 109.5 . . ?
C110 C115 H11D 109.5 . . ?
C110 C115 H11E 109.5 . . ?
C110 C115 H11F 109.5 . . ?
H11D C115 H11E 109.5 . . ?
H11D C115 H11F 109.5 . . ?
H11E C115 H11F 109.5 . . ?
C111 C116 H11G 109.5 . . ?
C111 C116 H11H 109.5 . . ?
C111 C116 H11I 109.5 . . ?
H11G C116 H11H 109.5 . . ?
H11G C116 H11I 109.5 . . ?
H11H C116 H11I 109.5 . . ?
C112 C117 H11J 109.5 . . ?
C112 C117 H11K 109.5 . . ?
C112 C117 H11L 109.5 . . ?
H11J C117 H11K 109.5 . . ?
H11J C117 H11L 109.5 . . ?
H11K C117 H11L 109.5 . . ?
C113 C118 H11M 109.5 . . ?
C113 C118 H11N 109.5 . . ?
C113 C118 H11O 109.5 . . ?
H11M C118 H11N 109.5 . . ?
H11M C118 H11O 109.5 . . ?
H11N C118 H11O 109.5 . . ?
C120 C119 Rh4 72.5(6) . . ?
C120 C119 C124 125.7(12) . . ?
C123 C119 Rh4 72.2(7) . . ?
C123 C119 C120 108.6(11) . . ?
C123 C119 C124 125.5(13) . . ?
C124 C119 Rh4 125.3(9) . . ?
C119 C120 Rh4 68.8(6) . . ?
C119 C120 C125 124.9(14) . . ?
C121 C120 Rh4 70.0(7) . . ?
C121 C120 C119 109.5(13) . . ?
C121 C120 C125 125.3(15) . . ?
C125 C120 Rh4 123.4(11) . . ?
C120 C121 Rh4 72.7(7) . . ?
C120 C121 C122 107.3(12) . . ?
C120 C121 C126 122.5(17) . . ?
C122 C121 Rh4 69.2(6) . . ?
C122 C121 C126 130.1(16) . . ?
C126 C121 Rh4 121.0(12) . . ?
C121 C122 Rh4 70.5(8) . . ?
C121 C122 C127 113.0(18) . . ?
C123 C122 Rh4 71.7(7) . . ?
C123 C122 C121 106.7(12) . . ?
C123 C122 C127 140(2) . . ?
C127 C122 Rh4 118.7(14) . . ?
C119 C123 Rh4 69.5(7) . . ?
C119 C123 C122 107.6(13) . . ?
C119 C123 C128 126.2(15) . . ?
C122 C123 Rh4 68.9(8) . . ?
C122 C123 C128 126.1(16) . . ?
C128 C123 Rh4 124.1(10) . . ?
C119 C124 H12A 109.5 . . ?
C119 C124 H12B 109.5 . . ?
C119 C124 H12C 109.5 . . ?
H12A C124 H12B 109.5 . . ?
H12A C124 H12C 109.5 . . ?
H12B C124 H12C 109.5 . . ?
C120 C125 H12D 109.5 . . ?
C120 C125 H12E 109.5 . . ?
C120 C125 H12F 109.5 . . ?
H12D C125 H12E 109.5 . . ?
H12D C125 H12F 109.5 . . ?
H12E C125 H12F 109.5 . . ?
C121 C126 H12G 109.5 . . ?
C121 C126 H12H 109.5 . . ?
C121 C126 H12I 109.5 . . ?
H12G C126 H12H 109.5 . . ?
H12G C126 H12I 109.5 . . ?
H12H C126 H12I 109.5 . . ?
C122 C127 H12J 109.5 . . ?
C122 C127 H12K 109.5 . . ?
C122 C127 H12L 109.5 . . ?
H12J C127 H12K 109.5 . . ?
H12J C127 H12L 109.5 . . ?
H12K C127 H12L 109.5 . . ?
C123 C128 H12M 109.5 . . ?
C123 C128 H12N 109.5 . . ?
C123 C128 H12O 109.5 . . ?
H12M C128 H12N 109.5 . . ?
H12M C128 H12O 109.5 . . ?
H12N C128 H12O 109.5 . . ?
O25 Rh5 O26 76.7(2) . . ?
O25 Rh5 C173 123.7(3) . . ?
O25 Rh5 C174 95.8(4) . . ?
O25 Rh5 C175 96.5(4) . . ?
O26 Rh5 C173 98.5(3) . . ?
O26 Rh5 C174 119.1(4) . . ?
O26 Rh5 C175 155.7(5) . . ?
N5 Rh5 O25 87.0(3) . . ?
N5 Rh5 O26 85.0(3) . . ?
N5 Rh5 C173 149.2(4) . . ?
N5 Rh5 C174 155.9(4) . . ?
N5 Rh5 C175 118.3(5) . . ?
C173 Rh5 C174 37.5(4) . . ?
C173 Rh5 C175 65.6(5) . . ?
C174 Rh5 C175 37.6(6) . . ?
C176 Rh5 O25 130.6(6) . . ?
C176 Rh5 O26 152.3(6) . . ?
C176 Rh5 N5 99.5(5) . . ?
C176 Rh5 C173 64.0(5) . . ?
C176 Rh5 C174 60.8(6) . . ?
C176 Rh5 C175 37.8(4) . . ?
C177 Rh5 O25 160.6(4) . . ?
C177 Rh5 O26 111.6(6) . . ?
C177 Rh5 N5 110.7(5) . . ?
C177 Rh5 C173 39.6(5) . . ?
C177 Rh5 C174 64.8(5) . . ?
C177 Rh5 C175 68.6(6) . . ?
C177 Rh5 C176 41.1(5) . . ?
O27 Rh6 C183 139.8(4) . . ?
O27 Rh6 C184 162.2(4) . . ?
O27 Rh6 C185 123.7(4) . . ?
O27 Rh6 C186 97.4(4) . . ?
O27 Rh6 C187 104.8(4) . . ?
O28 Rh6 O27 76.4(2) . . ?
O28 Rh6 N6 84.4(3) . 2_575 ?
O28 Rh6 C183 143.8(4) . . ?
O28 Rh6 C184 107.0(4) . . ?
O28 Rh6 C185 98.0(4) . . ?
O28 Rh6 C186 121.3(3) . . ?
O28 Rh6 C187 160.6(4) . . ?
N6 Rh6 O27 83.0(3) 2_575 . ?
N6 Rh6 C183 97.7(4) 2_575 . ?
N6 Rh6 C184 114.6(4) 2_575 . ?
N6 Rh6 C185 153.1(4) 2_575 . ?
N6 Rh6 C186 153.8(4) 2_575 . ?
N6 Rh6 C187 114.9(4) 2_575 . ?
C183 Rh6 C185 64.8(4) . . ?
C184 Rh6 C183 39.6(5) . . ?
C184 Rh6 C185 39.0(5) . . ?
C184 Rh6 C186 65.6(5) . . ?
C184 Rh6 C187 66.1(5) . . ?
C186 Rh6 C183 65.2(5) . . ?
C186 Rh6 C185 38.1(5) . . ?
C186 Rh6 C187 39.5(4) . . ?
C187 Rh6 C183 38.7(6) . . ?
C187 Rh6 C185 64.9(5) . . ?
O29 Cu5 O60 98.2(4) . . ?
O30 Cu5 O29 91.6(3) . . ?
O30 Cu5 O33 176.5(4) . . ?
O30 Cu5 O34 87.5(3) . . ?
O30 Cu5 O60 89.2(4) . . ?
O33 Cu5 O29 87.6(4) . . ?
O33 Cu5 O34 92.7(3) . . ?
O33 Cu5 O60 94.3(4) . . ?
O34 Cu5 O29 170.8(4) . . ?
O34 Cu5 O60 90.9(4) . . ?
O31 Cu6 O61 94.2(4) . . ?
O32 Cu6 O31 92.2(3) . . ?
O32 Cu6 O61 96.3(4) . . ?
O35 Cu6 O31 87.3(3) . . ?
O35 Cu6 O32 167.2(4) . . ?
O35 Cu6 O36 92.2(3) . . ?
O35 Cu6 O61 96.5(3) . . ?
O36 Cu6 O31 175.3(3) . . ?
O36 Cu6 O32 87.3(3) . . ?
O36 Cu6 O61 90.5(4) . . ?
C135 N5 Rh5 122.8(6) . . ?
C139 N5 Rh5 119.5(7) . . ?
C139 N5 C135 117.6(8) . . ?
C154 N6 Rh6 123.1(6) . 2_575 ?
C158 N6 Rh6 118.9(7) . 2_575 ?
C158 N6 C154 117.3(8) . . ?
O25 C129 C130 116.3(7) . . ?
O25 C129 C134 124.9(8) . . ?
C134 C129 C130 118.8(8) . . ?
O26 C130 C129 116.0(7) . . ?
O26 C130 C131 124.7(8) . . ?
C131 C130 C129 119.1(7) . . ?
C130 C131 Cl5 119.0(7) . . ?
C130 C131 C132 122.1(8) . . ?
C132 C131 Cl5 118.8(7) . . ?
O27 C132 C131 126.3(8) . . ?
O27 C132 C133 115.3(7) . . ?
C131 C132 C133 118.3(7) . . ?
O28 C133 C132 115.2(7) . . ?
O28 C133 C134 124.7(8) . . ?
C134 C133 C132 120.1(8) . . ?
C129 C134 Cl6 119.4(7) . . ?
C133 C134 Cl6 119.8(7) . . ?
C133 C134 C129 120.8(8) . . ?
N5 C135 H135 118.3 . . ?
N5 C135 C136 123.4(9) . . ?
C136 C135 H135 118.3 . . ?
C135 C136 C137 117.9(9) . . ?
C135 C136 C140 124.5(9) . . ?
C137 C136 C140 117.5(9) . . ?
C136 C137 H137 120.0 . . ?
C136 C137 C138 120.1(8) . . ?
C138 C137 H137 120.0 . . ?
C137 C138 C139 116.8(8) . . ?
C137 C138 C147 119.4(8) . . ?
C139 C138 C147 123.7(8) . . ?
N5 C139 C138 124.2(9) . . ?
N5 C139 H139 117.9 . . ?
C138 C139 H139 117.9 . . ?
O30 C140 C136 114.1(9) . . ?
O30 C140 C141 127.0(10) . . ?
C141 C140 C136 118.7(10) . . ?
C140 C141 H141 118.6 . . ?
C142 C141 C140 122.7(11) . . ?
C142 C141 H141 118.6 . . ?
O29 C142 C141 124.9(11) . . ?
O29 C142 C143 113.5(10) . . ?
C141 C142 C143 121.6(11) . . ?
C142 C143 C144 107.7(12) . . ?
C142 C143 C146 114.8(12) . . ?
C145 C143 C142 110.2(14) . . ?
C145 C143 C144 110.9(16) . . ?
C145 C143 C146 106.6(16) . . ?
C146 C143 C144 106.5(16) . . ?
C143 C144 H14A 109.5 . . ?
C143 C144 H14B 109.5 . . ?
C143 C144 H14C 109.5 . . ?
H14A C144 H14B 109.5 . . ?
H14A C144 H14C 109.5 . . ?
H14B C144 H14C 109.5 . . ?
C143 C145 H14D 109.5 . . ?
C143 C145 H14E 109.5 . . ?
C143 C145 H14F 109.5 . . ?
H14D C145 H14E 109.5 . . ?
H14D C145 H14F 109.5 . . ?
H14E C145 H14F 109.5 . . ?
C143 C146 H14G 109.5 . . ?
C143 C146 H14H 109.5 . . ?
C143 C146 H14I 109.5 . . ?
H14G C146 H14H 109.5 . . ?
H14G C146 H14I 109.5 . . ?
H14H C146 H14I 109.5 . . ?
O31 C147 C138 112.5(8) . . ?
O31 C147 C148 126.3(9) . . ?
C148 C147 C138 121.2(8) . . ?
C147 C148 H148 117.5 . . ?
C147 C148 C149 125.0(9) . . ?
C149 C148 H148 117.5 . . ?
O32 C149 C148 124.9(9) . . ?
O32 C149 C150 113.3(10) . . ?
C148 C149 C150 121.8(9) . . ?
C149 C150 C153 105.0(14) . . ?
C149 C150 C251 107.0(16) . . ?
C151 C150 C149 111.8(11) . . ?
C151 C150 C152 113.1(15) . . ?
C151 C150 C153 110.2(14) . . ?
C152 C150 C149 111.6(13) . . ?
C152 C150 C153 104.7(14) . . ?
C252 C150 C149 107.8(19) . . ?
C252 C150 C251 106.0(17) . . ?
C253 C150 C149 113.3(15) . . ?
C253 C150 C251 110.7(17) . . ?
C253 C150 C252 111.6(18) . . ?
C150 C151 H15A 109.5 . . ?
C150 C151 H15B 109.5 . . ?
C150 C151 H15C 109.5 . . ?
H15A C151 H15B 109.5 . . ?
H15A C151 H15C 109.5 . . ?
H15B C151 H15C 109.5 . . ?
C150 C152 H15D 109.5 . . ?
C150 C152 H15E 109.5 . . ?
C150 C152 H15F 109.5 . . ?
H15D C152 H15E 109.5 . . ?
H15D C152 H15F 109.5 . . ?
H15E C152 H15F 109.5 . . ?
C150 C153 H15G 109.5 . . ?
C150 C153 H15H 109.5 . . ?
C150 C153 H15I 109.5 . . ?
H15G C153 H15H 109.5 . . ?
H15G C153 H15I 109.5 . . ?
H15H C153 H15I 109.5 . . ?
C150 C251 H25A 109.5 . . ?
C150 C251 H25B 109.5 . . ?
C150 C251 H25C 109.5 . . ?
H25A C251 H25B 109.5 . . ?
H25A C251 H25C 109.5 . . ?
H25B C251 H25C 109.5 . . ?
C150 C252 H25D 109.5 . . ?
C150 C252 H25E 109.5 . . ?
C150 C252 H25F 109.5 . . ?
H25D C252 H25E 109.5 . . ?
H25D C252 H25F 109.5 . . ?
H25E C252 H25F 109.5 . . ?
C150 C253 H25G 109.5 . . ?
C150 C253 H25H 109.5 . . ?
C150 C253 H25I 109.5 . . ?
H25G C253 H25H 109.5 . . ?
H25G C253 H25I 109.5 . . ?
H25H C253 H25I 109.5 . . ?
N6 C154 H154 119.5 . . ?
C155 C154 N6 121.1(8) . . ?
C155 C154 H154 119.5 . . ?
C154 C155 C156 120.6(10) . . ?
C154 C155 C159 121.6(8) . . ?
C156 C155 C159 117.9(9) . . ?
C155 C156 H156 120.2 . . ?
C157 C156 C155 119.6(9) . . ?
C157 C156 H156 120.2 . . ?
C156 C157 C158 118.5(8) . . ?
C156 C157 C166 119.8(9) . . ?
C158 C157 C166 121.7(9) . . ?
N6 C158 C157 122.9(10) . . ?
N6 C158 H158 118.6 . . ?
C157 C158 H158 118.6 . . ?
O34 C159 C155 112.9(8) . . ?
O34 C159 C160 126.2(11) . . ?
C160 C159 C155 120.9(10) . . ?
C159 C160 H160 118.2 . . ?
C159 C160 C161 123.5(11) . . ?
C161 C160 H160 118.2 . . ?
O33 C161 C160 124.6(9) . . ?
O33 C161 C162 117.7(10) . . ?
C160 C161 C162 117.7(11) . . ?
C161 C162 C163 108.1(11) . . ?
C161 C162 C164 105.8(10) . . ?
C161 C162 C165 109.2(10) . . ?
C163 C162 C164 107.6(13) . . ?
C163 C162 C165 110.8(12) . . ?
C165 C162 C164 115.0(15) . . ?
C162 C163 H16A 109.5 . . ?
C162 C163 H16B 109.5 . . ?
C162 C163 H16C 109.5 . . ?
H16A C163 H16B 109.5 . . ?
H16A C163 H16C 109.5 . . ?
H16B C163 H16C 109.5 . . ?
C162 C164 H16D 109.5 . . ?
C162 C164 H16E 109.5 . . ?
C162 C164 H16F 109.5 . . ?
H16D C164 H16E 109.5 . . ?
H16D C164 H16F 109.5 . . ?
H16E C164 H16F 109.5 . . ?
C162 C165 H16G 109.5 . . ?
C162 C165 H16H 109.5 . . ?
C162 C165 H16I 109.5 . . ?
H16G C165 H16H 109.5 . . ?
H16G C165 H16I 109.5 . . ?
H16H C165 H16I 109.5 . . ?
O35 C166 C157 113.3(9) . . ?
O35 C166 C167 126.7(9) . . ?
C167 C166 C157 120.0(8) . . ?
C166 C167 H167 118.2 . . ?
C168 C167 C166 123.5(10) . . ?
C168 C167 H167 118.2 . . ?
O36 C168 C167 124.2(9) . . ?
O36 C168 C169 116.8(10) . . ?
C167 C168 C169 118.7(9) . . ?
C168 C169 C170 109.8(9) . . ?
C168 C169 C172 110.4(11) . . ?
C171 C169 C168 110.7(13) . . ?
C171 C169 C170 108.7(13) . . ?
C171 C169 C172 110.4(15) . . ?
C172 C169 C170 106.8(12) . . ?
C169 C170 H17A 109.5 . . ?
C169 C170 H17B 109.5 . . ?
C169 C170 H17C 109.5 . . ?
H17A C170 H17B 109.5 . . ?
H17A C170 H17C 109.5 . . ?
H17B C170 H17C 109.5 . . ?
C169 C171 H17D 109.5 . . ?
C169 C171 H17E 109.5 . . ?
C169 C171 H17F 109.5 . . ?
H17D C171 H17E 109.5 . . ?
H17D C171 H17F 109.5 . . ?
H17E C171 H17F 109.5 . . ?
C169 C172 H17G 109.5 . . ?
C169 C172 H17H 109.5 . . ?
C169 C172 H17I 109.5 . . ?
H17G C172 H17H 109.5 . . ?
H17G C172 H17I 109.5 . . ?
H17H C172 H17I 109.5 . . ?
C174 C173 Rh5 71.9(7) . . ?
C174 C173 C177 107.3(13) . . ?
C174 C173 C178 125.8(13) . . ?
C177 C173 Rh5 67.0(7) . . ?
C177 C173 C178 126.8(14) . . ?
C178 C173 Rh5 123.8(9) . . ?
C173 C174 Rh5 70.6(6) . . ?
C173 C174 C175 114.7(13) . . ?
C173 C174 C179 125.2(14) . . ?
C175 C174 Rh5 72.1(8) . . ?
C175 C174 C179 119.9(14) . . ?
C179 C174 Rh5 122.3(10) . . ?
C174 C175 Rh5 70.4(7) . . ?
C174 C175 C180 125.9(17) . . ?
C176 C175 Rh5 67.0(8) . . ?
C176 C175 C174 100.8(13) . . ?
C176 C175 C180 133.3(18) . . ?
C180 C175 Rh5 125.9(12) . . ?
C175 C176 Rh5 75.1(8) . . ?
C175 C176 C177 114.8(14) . . ?
C175 C176 C181 120.3(19) . . ?
C177 C176 Rh5 68.7(8) . . ?
C177 C176 C181 124.7(19) . . ?
C181 C176 Rh5 121.3(12) . . ?
C173 C177 Rh5 73.4(7) . . ?
C173 C177 C176 102.1(12) . . ?
C173 C177 C182 127.7(18) . . ?
C176 C177 Rh5 70.1(8) . . ?
C176 C177 C182 129.6(17) . . ?
C182 C177 Rh5 126.7(12) . . ?
C173 C178 H17J 109.5 . . ?
C173 C178 H17K 109.5 . . ?
C173 C178 H17L 109.5 . . ?
H17J C178 H17K 109.5 . . ?
H17J C178 H17L 109.5 . . ?
H17K C178 H17L 109.5 . . ?
C174 C179 H17M 109.5 . . ?
C174 C179 H17N 109.5 . . ?
C174 C179 H17O 109.5 . . ?
H17M C179 H17N 109.5 . . ?
H17M C179 H17O 109.5 . . ?
H17N C179 H17O 109.5 . . ?
C175 C180 H18A 109.5 . . ?
C175 C180 H18B 109.5 . . ?
C175 C180 H18C 109.5 . . ?
H18A C180 H18B 109.5 . . ?
H18A C180 H18C 109.5 . . ?
H18B C180 H18C 109.5 . . ?
C176 C181 H18D 109.5 . . ?
C176 C181 H18E 109.5 . . ?
C176 C181 H18F 109.5 . . ?
H18D C181 H18E 109.5 . . ?
H18D C181 H18F 109.5 . . ?
H18E C181 H18F 109.5 . . ?
C177 C182 H18G 109.5 . . ?
C177 C182 H18H 109.5 . . ?
C177 C182 H18I 109.5 . . ?
H18G C182 H18H 109.5 . . ?
H18G C182 H18I 109.5 . . ?
H18H C182 H18I 109.5 . . ?
C184 C183 Rh6 69.6(6) . . ?
C184 C183 C188 125.4(15) . . ?
C187 C183 Rh6 70.6(6) . . ?
C187 C183 C184 108.6(11) . . ?
C187 C183 C188 126.1(13) . . ?
C188 C183 Rh6 126.2(10) . . ?
C183 C184 Rh6 70.8(6) . . ?
C183 C184 C189 125.3(12) . . ?
C185 C184 Rh6 71.4(6) . . ?
C185 C184 C183 106.4(12) . . ?
C185 C184 C189 128.0(12) . . ?
C189 C184 Rh6 128.0(10) . . ?
C184 C185 Rh6 69.6(6) . . ?
C184 C185 C190 123.8(13) . . ?
C186 C185 Rh6 70.3(6) . . ?
C186 C185 C184 109.5(10) . . ?
C186 C185 C190 126.6(12) . . ?
C190 C185 Rh6 123.1(9) . . ?
C185 C186 Rh6 71.6(7) . . ?
C185 C186 C187 108.2(12) . . ?
C185 C186 C191 128.0(11) . . ?
C187 C186 Rh6 70.5(7) . . ?
C187 C186 C191 123.7(12) . . ?
C191 C186 Rh6 123.7(8) . . ?
C183 C187 Rh6 70.8(7) . . ?
C183 C187 C186 107.3(11) . . ?
C183 C187 C192 127.4(12) . . ?
C186 C187 Rh6 70.0(7) . . ?
C186 C187 C192 125.3(14) . . ?
C192 C187 Rh6 123.5(8) . . ?
C183 C188 H18J 109.5 . . ?
C183 C188 H18K 109.5 . . ?
C183 C188 H18L 109.5 . . ?
H18J C188 H18K 109.5 . . ?
H18J C188 H18L 109.5 . . ?
H18K C188 H18L 109.5 . . ?
C184 C189 H18M 109.5 . . ?
C184 C189 H18N 109.5 . . ?
C184 C189 H18O 109.5 . . ?
H18M C189 H18N 109.5 . . ?
H18M C189 H18O 109.5 . . ?
H18N C189 H18O 109.5 . . ?
C185 C190 H19A 109.5 . . ?
C185 C190 H19B 109.5 . . ?
C185 C190 H19C 109.5 . . ?
H19A C190 H19B 109.5 . . ?
H19A C190 H19C 109.5 . . ?
H19B C190 H19C 109.5 . . ?
C186 C191 H19D 109.5 . . ?
C186 C191 H19E 109.5 . . ?
C186 C191 H19F 109.5 . . ?
H19D C191 H19E 109.5 . . ?
H19D C191 H19F 109.5 . . ?
H19E C191 H19F 109.5 . . ?
C187 C192 H19G 109.5 . . ?
C187 C192 H19H 109.5 . . ?
C187 C192 H19I 109.5 . . ?
H19G C192 H19H 109.5 . . ?
H19G C192 H19I 109.5 . . ?
H19H C192 H19I 109.5 . . ?
F1 C193 S1 113(2) . . ?
F2 C193 S1 112.1(16) . . ?
F2 C193 F1 106(3) . . ?
F3 C193 S1 117(3) . . ?
F3 C193 F1 106(2) . . ?
F3 C193 F2 102(3) . . ?
F4 C194 S2 101(2) . . ?
F5 C194 S2 118(2) . . ?
F5 C194 F4 113(4) . . ?
F6 C194 S2 112(4) . . ?
F6 C194 F4 104(3) . . ?
F6 C194 F5 108(3) . . ?
F7 C195 S3 102(2) . . ?
F7 C195 F8 122(3) . . ?
F7 C195 F9 119(2) . . ?
F8 C195 S3 113(2) . . ?
F8 C195 F9 100(3) . . ?
F9 C195 S3 98(2) . . ?
F10 C196 S4 111.4(19) . . ?
F10 C196 F12 111(2) . . ?
F11 C196 S4 102.4(19) . . ?
F11 C196 F10 104(2) . . ?
F11 C196 F12 108(2) . . ?
F12 C196 S4 118.1(19) . . ?
C212 C199 C200 124(2) . . ?
C213 C199 C200 117(2) . . ?
C213 C199 C212 119(3) . . ?
C199 C200 H200 117.3 . . ?
C201 C200 C199 125(3) . . ?
C201 C200 H200 117.3 . . ?
C200 C201 H201 121.2 . . ?
C200 C201 C202 118(3) . . ?
C202 C201 H201 121.2 . . ?
C203 C202 C201 123(3) . . ?
C214 C202 C201 121(2) . . ?
C214 C202 C203 115(3) . . ?
C202 C203 H203 122.2 . . ?
C204 C203 C202 116(3) . . ?
C204 C203 H203 122.2 . . ?
C203 C204 H204 114.3 . . ?
C205 C204 C203 131(3) . . ?
C205 C204 H204 114.3 . . ?
C204 C205 H205 123.4 . . ?
C204 C205 C206 113(3) . . ?
C206 C205 H205 123.4 . . ?
C205 C206 C207 123(3) . . ?
C205 C206 C214 122(3) . . ?
C214 C206 C207 115(2) . . ?
C206 C207 H207 117.8 . . ?
C208 C207 C206 124(3) . . ?
C208 C207 H207 117.8 . . ?
C207 C208 H208 118.7 . . ?
C207 C208 C209 123(3) . . ?
C209 C208 H208 118.7 . . ?
C208 C209 C210 124(3) . . ?
C208 C209 C213 119(3) . . ?
C210 C209 C213 117(3) . . ?
C209 C210 H210 120.3 . . ?
C211 C210 C209 119(3) . . ?
C211 C210 H210 120.3 . . ?
C210 C211 H211 116.5 . . ?
C210 C211 C212 127(4) . . ?
C212 C211 H211 116.5 . . ?
C199 C212 H212 121.0 . . ?
C211 C212 C199 118(3) . . ?
C211 C212 H212 121.0 . . ?
C199 C213 C209 120(2) . . ?
C199 C213 C214 119(2) . . ?
C209 C213 C214 121(2) . . ?
C202 C214 C213 119(2) . . ?
C206 C214 C202 123(2) . . ?
C206 C214 C213 118(2) . . ?
C216 C215 H215 118.0 . . ?
C221 C215 H215 118.0 2_575 . ?
C221 C215 C216 124(2) 2_575 . ?
C215 C216 H216 121.0 . . ?
C215 C216 C217 118.1(18) . . ?
C217 C216 H216 121.0 . . ?
C218 C217 C216 120(2) . . ?
C218 C217 C222 122(2) . . ?
C222 C217 C216 117.5(16) . . ?
C217 C218 H218 120.9 . . ?
C217 C218 C219 118(3) . . ?
C219 C218 H218 120.9 . . ?
C218 C219 H219 119.6 . . ?
C220 C219 C218 121(2) . . ?
C220 C219 H219 119.6 . . ?
C219 C220 H220 119.9 . . ?
C219 C220 C221 120(3) . . ?
C221 C220 H220 119.9 . . ?
C215 C221 C220 121(2) 2_575 . ?
C215 C221 C222 122.2(19) 2_575 . ?
C222 C221 C220 116.6(19) . . ?
C221 C222 C217 122.0(15) . . ?
C221 C222 C222 121(2) . 2_575 ?
C222 C222 C217 117(2) 2_575 . ?
H22G C223 H22H 109.5 . . ?
H22G C223 H22I 109.5 . . ?
H22H C223 H22I 109.5 . . ?
C224 C223 H22G 109.5 . . ?
C224 C223 H22H 109.5 . . ?
C224 C223 H22I 109.5 . . ?
C223 C224 H22J 111.4 . . ?
C223 C224 H22K 111.4 . . ?
H22J C224 H22K 109.2 . . ?
O55 C224 C223 102.0(19) . . ?
O55 C224 H22J 111.4 . . ?
O55 C224 H22K 111.4 . . ?
H22L C225 H22M 108.7 . . ?
C226 C225 H22L 110.6 . . ?
C226 C225 H22M 110.6 . . ?
O55 C225 H22L 110.6 . . ?
O55 C225 H22M 110.6 . . ?
O55 C225 C226 106(2) . . ?
C225 C226 H22N 109.5 . . ?
C225 C226 H22O 109.5 . . ?
C225 C226 H22P 109.5 . . ?
H22N C226 H22O 109.5 . . ?
H22N C226 H22P 109.5 . . ?
H22O C226 H22P 109.5 . . ?
C225 O55 C224 112(2) . . ?
H22D C227 H22E 109.5 . . ?
H22D C227 H22F 109.5 . . ?
H22E C227 H22F 109.5 . . ?
O60 C227 H22D 109.5 . . ?
O60 C227 H22E 109.5 . . ?
O60 C227 H22F 109.5 . . ?
C227 O60 Cu5 116.9(11) . . ?
Cu1' O56 Cu1 11.4(2) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rh1 N1 C13 C14 -176.5(8) . . . . ?
Rh1 N1 C17 C16 174.4(8) . . . . ?
Rh1 O1 C1 C2 0.6(11) . . . . ?
Rh1 O1 C1 C6 179.5(8) . . . . ?
Rh1 O2 C2 C1 -3.1(10) . . . . ?
Rh1 O2 C2 C3 176.9(8) . . . . ?
Rh1 C89 C90 C91 59.2(7) . . . . ?
Rh1 C89 C90 C95 -120.3(11) . . . . ?
Rh1 C89 C93 C92 -63.1(8) . . . . ?
Rh1 C89 C93 C98 125.2(13) . . . . ?
Rh1 C90 C91 C92 61.5(6) . . . . ?
Rh1 C90 C91 C96 -124.4(13) . . . . ?
Rh1 C91 C92 C93 57.5(8) . . . . ?
Rh1 C91 C92 C97 -120.1(12) . . . . ?
Rh1 C92 C93 C89 62.6(8) . . . . ?
Rh1 C92 C93 C98 -125.6(13) . . . . ?
Rh2 N3 C51 C52 -170.7(9) . . . . ?
Rh2 N3 C55 C54 171.1(7) . . . . ?
Rh2 O3 C4 C3 175.3(7) . . . . ?
Rh2 O3 C4 C5 -3.5(10) . . . . ?
Rh2 O4 C5 C4 0.7(10) . . . . ?
Rh2 O4 C5 C6 -177.1(9) . . . . ?
Rh2 C99 C100 C101 60.9(6) . . . . ?
Rh2 C99 C100 C105 -120.7(10) . . . . ?
Rh2 C99 C103 C102 -58.9(6) . . . . ?
Rh2 C99 C103 C108 118.8(10) . . . . ?
Rh2 C100 C101 C102 61.4(7) . . . . ?
Rh2 C100 C101 C106 -121.0(10) . . . . ?
Rh2 C101 C102 C103 61.5(5) . . . . ?
Rh2 C101 C102 C107 -117.4(10) . . . . ?
Rh2 C102 C103 C99 59.1(6) . . . . ?
Rh2 C102 C103 C108 -118.6(10) . . . . ?
Rh3 N2 C32 C33 -169.1(10) . . . . ?
Rh3 N2 C36 C35 170.8(11) . . . . ?
Rh3 O5 C7 C8 1.4(13) . . . . ?
Rh3 O5 C7 C12 -174.3(8) . . . . ?
Rh3 O6 C8 C7 -2.1(12) . . . . ?
Rh3 O6 C8 C9 178.1(9) . . . . ?
Rh3 C109 C110 C111 58.7(9) . . . . ?
Rh3 C109 C110 C115 -119.3(16) . . . . ?
Rh3 C109 C113 C112 -61.3(10) . . . . ?
Rh3 C109 C113 C118 116.4(15) . . . . ?
Rh3 C110 C111 C112 59.0(11) . . . . ?
Rh3 C110 C111 C116 -121.6(15) . . . . ?
Rh3 C111 C112 C113 62.3(9) . . . . ?
Rh3 C111 C112 C117 -116.3(18) . . . . ?
Rh3 C112 C113 C109 64.1(11) . . . . ?
Rh3 C112 C113 C118 -113.7(13) . . . . ?
Rh4 N4 C70 C71 -174.0(8) . . . . ?
Rh4 N4 C74 C73 175.5(7) . . . . ?
Rh4 O7 C10 C9 -178.9(8) . . . . ?
Rh4 O7 C10 C11 -0.2(11) . . . . ?
Rh4 O8 C11 C10 6.2(11) . . . . ?
Rh4 O8 C11 C12 -175.4(9) . . . . ?
Rh4 C119 C120 C121 58.2(10) . . . . ?
Rh4 C119 C120 C125 -116.7(14) . . . . ?
Rh4 C119 C123 C122 -58.5(9) . . . . ?
Rh4 C119 C123 C128 117.9(14) . . . . ?
Rh4 C120 C121 C122 60.8(9) . . . . ?
Rh4 C120 C121 C126 -116.2(15) . . . . ?
Rh4 C121 C122 C123 63.0(9) . . . . ?
Rh4 C121 C122 C127 -113.8(15) . . . . ?
Rh4 C122 C123 C119 59.0(9) . . . . ?
Rh4 C122 C123 C128 -117.5(14) . . . . ?
Cu1 Cu1' O13 C39 138.6(16) . . . . ?
Cu1 Cu1' O14 C37 -109.1(16) . . . . ?
Cu1 O9 C20 C19 -7(3) . . . . ?
Cu1 O9 C20 C21 171.4(13) . . . . ?
Cu1 O10 C18 C14 -173.5(7) . . . . ?
Cu1 O10 C18 C19 5(2) . . . . ?
Cu1 O13 C39 C38 -5(3) . . . . ?
Cu1 O13 C39 C40 161.7(15) . . . . ?
Cu1 O13 C39 C40' -163.1(14) . . . . ?
Cu1 O14 C37 C33 168.0(8) . . . . ?
Cu1 O14 C37 C38 -14(2) . . . . ?
Cu2 Cu2' O15 C44 96(2) . . . . ?
Cu2 O11 C25 C16 172.4(8) . . . . ?
Cu2 O11 C25 C26 -8.3(19) . . . . ?
Cu2 O12 C27 C26 20(4) . . . . ?
Cu2 O12 C27 C28 -176.3(14) . . . . ?
Cu2 O15 C44 C35 -169.8(10) . . . . ?
Cu2 O15 C44 C45 8(2) . . . . ?
Cu2 O16 C46 C45 -9(3) . . . . ?
Cu2 O16 C46 C47 -170.7(14) . . . . ?
Cu2 O16 C46 C47' 159.2(15) . . . . ?
Cu3 Cu3' O21' C77' -72(3) . . . . ?
Cu3 O18 C56 C52 170.5(9) . . . . ?
Cu3 O18 C56 C57 -16(3) . . . . ?
Cu3 O18 C56 C57' -16(3) . . . . ?
Cu3 O22 C75 C71 -169.1(9) . . . . ?
Cu3 O22 C75 C76 9(2) . . . . ?
Cu3 O22 C75 C76' 9(2) . . . . ?
Cu4 O19 C63 C54 -171.4(8) . . . . ?
Cu4 O19 C63 C64 7.6(17) . . . . ?
Cu4 O20 C65 C64 -4(3) . . . . ?
Cu4 O20 C65 C66 180.0(12) . . . . ?
Cu4 O23 C82 C73 172.1(8) . . . . ?
Cu4 O23 C82 C83 -2.3(19) . . . . ?
Cu4 O24 C84 C83 11(3) . . . . ?
Cu4 O24 C84 C85 -171.1(13) . . . . ?
Cu1' Cu1 O9 C20 115(2) . . . . ?
Cu1' Cu1 O10 C18 -139.0(14) . . . . ?
Cu1' O9 C20 C19 7(3) . . . . ?
Cu1' O9 C20 C21 -173.8(13) . . . . ?
Cu1' O10 C18 C14 170.9(8) . . . . ?
Cu1' O10 C18 C19 -11(2) . . . . ?
Cu1' O13 C39 C38 -20(3) . . . . ?
Cu1' O13 C39 C40 146.0(16) . . . . ?
Cu1' O13 C39 C40' -178.9(12) . . . . ?
Cu1' O14 C37 C33 -174.1(9) . . . . ?
Cu1' O14 C37 C38 4(2) . . . . ?
Cu2' Cu2 O12 C27 -110(3) . . . . ?
Cu2' O11 C25 C16 -169.6(9) . . . . ?
Cu2' O11 C25 C26 10(2) . . . . ?
Cu2' O12 C27 C26 3(4) . . . . ?
Cu2' O12 C27 C28 166.4(14) . . . . ?
Cu2' O15 C44 C35 170.2(10) . . . . ?
Cu2' O15 C44 C45 -12(3) . . . . ?
Cu2' O16 C46 C45 11(3) . . . . ?
Cu2' O16 C46 C47 -150.7(14) . . . . ?
Cu2' O16 C46 C47' 179.2(15) . . . . ?
Cu3' Cu3 O17 C58 -106(4) . . . . ?
Cu3' Cu3 O21' C77' 120(3) . . . . ?
Cu3' O18 C56 C52 -164.5(9) . . . . ?
Cu3' O18 C56 C57 9(3) . . . . ?
Cu3' O18 C56 C57' 9(3) . . . . ?
Cu3' O22 C75 C71 166.8(9) . . . . ?
Cu3' O22 C75 C76 -15(3) . . . . ?
Cu3' O22 C75 C76' -15(3) . . . . ?
Cu4' O19 C63 C54 170.3(8) . . . . ?
Cu4' O19 C63 C64 -10.7(17) . . . . ?
Cu4' O20 C65 C64 14(2) . . . . ?
Cu4' O20 C65 C66 -162.1(12) . . . . ?
Cu4' O23 C82 C73 -169.6(8) . . . . ?
Cu4' O23 C82 C83 16.0(19) . . . . ?
Cu4' O24 C84 C83 -6(3) . . . . ?
Cu4' O24 C84 C85 171.1(13) . . . . ?
Cl1 C3 C4 O3 -3.0(13) . . . . ?
Cl1 C3 C4 C5 175.8(7) . . . . ?
Cl3 C9 C10 O7 5.9(15) . . . . ?
Cl3 C9 C10 C11 -172.8(8) . . . . ?
N1 C13 C14 C15 6.5(17) . . . . ?
N1 C13 C14 C18 -178.1(10) . . . . ?
N2 C32 C33 C34 -3(2) . . . . ?
N2 C32 C33 C37 175.1(13) . . . . ?
N3 C51 C52 C53 -1.0(18) . . . . ?
N3 C51 C52 C56 180.0(11) . . . . ?
N4 C70 C71 C72 1.1(17) . . . . ?
N4 C70 C71 C75 177.7(11) . . . . ?
O1 C1 C2 O2 1.7(12) . . . . ?
O1 C1 C2 C3 -178.3(9) . . . . ?
O1 C1 C6 Cl2 -3.9(15) . . . . ?
O1 C1 C6 C5 174.0(10) . . . . ?
O2 C2 C3 Cl1 2.3(14) . . . . ?
O2 C2 C3 C4 -176.5(9) . . . . ?
O3 C4 C5 O4 2.0(12) . . . . ?
O3 C4 C5 C6 179.9(9) . . . . ?
O4 C5 C6 Cl2 0.8(16) . . . . ?
O4 C5 C6 C1 -177.1(9) . . . . ?
O5 C7 C8 O6 0.5(16) . . . . ?
O5 C7 C8 C9 -179.7(10) . . . . ?
O5 C7 C12 Cl4 0.9(16) . . . . ?
O5 C7 C12 C11 -177.9(11) . . . . ?
O6 C8 C9 Cl3 -3.7(16) . . . . ?
O6 C8 C9 C10 177.0(10) . . . . ?
O7 C10 C11 O8 -4.1(13) . . . . ?
O7 C10 C11 C12 177.4(9) . . . . ?
O8 C11 C12 Cl4 0.1(16) . . . . ?
O8 C11 C12 C7 178.8(9) . . . . ?
O9 Cu1 Cu1' O10 -106.9(12) . . . . ?
O9 Cu1 Cu1' O13 75.7(12) . . . . ?
O9 Cu1 Cu1' O14 175.9(6) . . . . ?
O9 Cu1 Cu1' O56 -27(2) . . . . ?
O9 Cu1 O10 Cu1' 132.3(12) . . . . ?
O9 Cu1 O10 C18 -6.7(12) . . . . ?
O9 Cu1' O13 Cu1 37.2(9) . . . . ?
O9 Cu1' O13 C39 175.9(14) . . . . ?
O9 Cu1' O14 Cu1 5.5(8) . . . . ?
O9 Cu1' O14 C37 -103.6(15) . . . . ?
O9 C20 C21 C22 83(2) . . . . ?
O9 C20 C21 C23 -159.5(18) . . . . ?
O9 C20 C21 C24 -39(3) . . . . ?
O10 Cu1 Cu1' O9 106.9(12) . . . . ?
O10 Cu1 Cu1' O13 -177.4(4) . . . . ?
O10 Cu1 Cu1' O14 -77.2(9) . . . . ?
O10 Cu1 Cu1' O56 79.9(12) . . . . ?
O10 Cu1 O9 Cu1' -107.0(16) . . . . ?
O10 Cu1 O9 C20 8.3(16) . . . . ?
O10 Cu1' O13 Cu1 -5.5(9) . . . . ?
O10 Cu1' O13 C39 133.2(16) . . . . ?
O10 Cu1' O14 Cu1 -62.1(12) . . . . ?
O10 Cu1' O14 C37 -171.2(11) . . . . ?
O10 C18 C19 C20 -2(2) . . . . ?
O11 Cu2 Cu2' O12 -95.0(10) . . . . ?
O11 Cu2 Cu2' O15 85.6(7) . . . . ?
O11 Cu2 Cu2' O16 177.8(4) . . . . ?
O11 Cu2 Cu2' O57 -88(5) . . . . ?
O11 Cu2 O12 Cu2' 93(2) . . . . ?
O11 Cu2 O12 C27 -18(2) . . . . ?
O11 Cu2' O15 Cu2 72.7(18) . . . . ?
O11 Cu2' O15 C44 168.6(14) . . . . ?
O11 C25 C26 C27 5(3) . . . . ?
O12 Cu2 Cu2' O11 95.0(10) . . . . ?
O12 Cu2 Cu2' O15 -179.4(6) . . . . ?
O12 Cu2 Cu2' O16 -87.2(10) . . . . ?
O12 Cu2 Cu2' O57 7(6) . . . . ?
O12 Cu2' O15 Cu2 -1.0(9) . . . . ?
O12 Cu2' O15 C44 94.8(19) . . . . ?
O12 C27 C28 C29 -68(3) . . . . ?
O12 C27 C28 C30 57(3) . . . . ?
O12 C27 C28 C31 174(2) . . . . ?
O12 C27 C28 C29' -10(3) . . . . ?
O12 C27 C28 C30' 103(2) . . . . ?
O12 C27 C28 C31' -139(2) . . . . ?
O13 Cu1 Cu1' O9 -75.7(12) . . . . ?
O13 Cu1 Cu1' O10 177.4(4) . . . . ?
O13 Cu1 Cu1' O14 100.2(9) . . . . ?
O13 Cu1 Cu1' O56 -102.7(13) . . . . ?
O13 Cu1 O9 Cu1' 67.9(15) . . . . ?
O13 Cu1 O9 C20 -176.8(16) . . . . ?
O13 Cu1' O14 Cu1 93.7(14) . . . . ?
O13 Cu1' O14 C37 -15.4(13) . . . . ?
O13 C39 C40 C41 122(2) . . . . ?
O13 C39 C40 C42 -112(3) . . . . ?
O13 C39 C40 C43 8(3) . . . . ?
O13 C39 C40' C41' 82(2) . . . . ?
O13 C39 C40' C42' -159(2) . . . . ?
O13 C39 C40' C43' -42(3) . . . . ?
O14 Cu1 Cu1' O9 -175.9(6) . . . . ?
O14 Cu1 Cu1' O10 77.2(9) . . . . ?
O14 Cu1 Cu1' O13 -100.2(9) . . . . ?
O14 Cu1 Cu1' O56 157.1(18) . . . . ?
O14 Cu1 O10 Cu1' -48.5(10) . . . . ?
O14 Cu1 O10 C18 172.5(10) . . . . ?
O14 Cu1' O13 Cu1 -115.1(12) . . . . ?
O14 Cu1' O13 C39 23.5(15) . . . . ?
O14 C37 C38 C39 6(3) . . . . ?
O15 Cu2 Cu2' O11 -85.6(7) . . . . ?
O15 Cu2 Cu2' O12 179.4(6) . . . . ?
O15 Cu2 Cu2' O16 92.2(7) . . . . ?
O15 Cu2 Cu2' O57 -174(6) . . . . ?
O15 C44 C45 C46 5(3) . . . . ?
O16 Cu2 Cu2' O11 -177.8(4) . . . . ?
O16 Cu2 Cu2' O12 87.2(10) . . . . ?
O16 Cu2 Cu2' O15 -92.2(7) . . . . ?
O16 Cu2 Cu2' O57 94(5) . . . . ?
O16 Cu2 O12 Cu2' -81(2) . . . . ?
O16 Cu2 O12 C27 169(2) . . . . ?
O16 Cu2' O15 Cu2 -82(2) . . . . ?
O16 Cu2' O15 C44 13.5(15) . . . . ?
O16 C46 C47 C48 -77(2) . . . . ?
O16 C46 C47 C49 36(3) . . . . ?
O16 C46 C47 C50 164(2) . . . . ?
O16 C46 C47' C48' 104(2) . . . . ?
O16 C46 C47' C49' -144(2) . . . . ?
O16 C46 C47' C50' -14(3) . . . . ?
O18 Cu3 Cu3' O22 86.3(4) . . . . ?
O18 Cu3 Cu3' O17 -92.1(10) . . . . ?
O18 Cu3 Cu3' O17' -92.9(13) . . . . ?
O18 Cu3 Cu3' O21 179.4(7) . . . . ?
O18 Cu3 Cu3' O21' -177.4(9) . . . . ?
O18 Cu3 Cu3' O58 146(6) . . . . ?
O18 Cu3 O17 Cu3' 78.7(9) . . . . ?
O18 Cu3 O17 C58 -27(4) . . . . ?
O18 Cu3 O21' Cu3' 7(3) . . . . ?
O18 Cu3 O21' C77' 127(2) . . . . ?
O18 Cu3' O21' Cu3 -7(3) . . . . ?
O18 Cu3' O21' C77' -80(4) . . . . ?
O18 C56 C57 C58 28(3) . . . . ?
O18 C56 C57' C58' -13(4) . . . . ?
O19 Cu4 O20 Cu4' -82(2) . . . . ?
O19 Cu4 O20 C65 6.2(15) . . . . ?
O19 C63 C64 C65 -3(2) . . . . ?
O20 Cu4 O24 Cu4' -92(2) . . . . ?
O20 Cu4 O24 C84 172.2(16) . . . . ?
O20 C65 C66 C67 8(2) . . . . ?
O20 C65 C66 C68 119.8(18) . . . . ?
O20 C65 C66 C69 -115(2) . . . . ?
O22 Cu3 Cu3' O18 -86.3(4) . . . . ?
O22 Cu3 Cu3' O17 -178.4(10) . . . . ?
O22 Cu3 Cu3' O17' -179.1(13) . . . . ?
O22 Cu3 Cu3' O21 93.1(8) . . . . ?
O22 Cu3 Cu3' O21' 96.4(9) . . . . ?
O22 Cu3 Cu3' O58 60(6) . . . . ?
O22 Cu3 O21' Cu3' -90.8(10) . . . . ?
O22 Cu3 O21' C77' 29(3) . . . . ?
O22 Cu3' O21' Cu3 67.2(9) . . . . ?
O22 Cu3' O21' C77' -5(3) . . . . ?
O22 C75 C76 C77 -28(4) . . . . ?
O22 C75 C76' C77' 22(3) . . . . ?
O23 Cu4 O24 Cu4' 84(2) . . . . ?
O23 Cu4 O24 C84 -11.7(16) . . . . ?
O23 C82 C83 C84 -2(2) . . . . ?
O24 Cu4 O20 Cu4' 99(2) . . . . ?
O24 Cu4 O20 C65 -172.4(15) . . . . ?
O24 C84 C85 C86 46(2) . . . . ?
O24 C84 C85 C87 164.7(18) . . . . ?
O24 C84 C85 C88 -72(2) . . . . ?
O25 C129 C130 O26 -0.7(12) . . . . ?
O25 C129 C130 C131 175.3(8) . . . . ?
O25 C129 C134 Cl6 -1.5(14) . . . . ?
O25 C129 C134 C133 177.1(9) . . . . ?
O26 C130 C131 Cl5 2.6(13) . . . . ?
O26 C130 C131 C132 -173.5(9) . . . . ?
O27 C132 C133 O28 -1.9(11) . . . . ?
O27 C132 C133 C134 177.0(8) . . . . ?
O28 C133 C134 Cl6 1.6(14) . . . . ?
O28 C133 C134 C129 -177.0(9) . . . . ?
O29 C142 C143 C144 -71.5(16) . . . . ?
O29 C142 C143 C145 49.7(18) . . . . ?
O29 C142 C143 C146 170.1(16) . . . . ?
O30 C140 C141 C142 -0.8(18) . . . . ?
O31 C147 C148 C149 -3.1(17) . . . . ?
O32 C149 C150 C151 -141.0(16) . . . . ?
O32 C149 C150 C152 -13(2) . . . . ?
O32 C149 C150 C153 99.6(16) . . . . ?
O32 C149 C150 C251 -67(2) . . . . ?
O32 C149 C150 C252 46(2) . . . . ?
O32 C149 C150 C253 170(2) . . . . ?
O35 C166 C167 C168 -4.7(19) . . . . ?
O36 C168 C169 C170 22.9(15) . . . . ?
O36 C168 C169 C171 142.8(14) . . . . ?
O36 C168 C169 C172 -94.6(14) . . . . ?
O33 C161 C162 C163 -4.3(14) . . . . ?
O33 C161 C162 C164 110.7(14) . . . . ?
O33 C161 C162 C165 -125.0(13) . . . . ?
O34 C159 C160 C161 -2.3(17) . . . . ?
O37 S1 C193 F1 -55(2) . . . . ?
O37 S1 C193 F2 64(2) . . . . ?
O37 S1 C193 F3 -178.8(19) . . . . ?
O38 S1 C193 F1 61(2) . . . . ?
O38 S1 C193 F2 -180(2) . . . . ?
O38 S1 C193 F3 -63(2) . . . . ?
O39 S1 C193 F1 -170.7(17) . . . . ?
O39 S1 C193 F2 -52(2) . . . . ?
O39 S1 C193 F3 65(2) . . . . ?
O40 S2 C194 F4 -178(3) . . . . ?
O40 S2 C194 F5 -54(4) . . . . ?
O40 S2 C194 F6 72(3) . . . . ?
O41 S2 C194 F4 -66(3) . . . . ?
O41 S2 C194 F5 57(3) . . . . ?
O41 S2 C194 F6 -176(3) . . . . ?
O42 S2 C194 F4 54(3) . . . . ?
O42 S2 C194 F5 177(3) . . . . ?
O42 S2 C194 F6 -56(3) . . . . ?
O43 S3 C195 F7 56(2) . . . . ?
O43 S3 C195 F8 -171(3) . . . . ?
O43 S3 C195 F9 -65.8(17) . . . . ?
O44 S3 C195 F7 -176.7(19) . . . . ?
O44 S3 C195 F8 -43(3) . . . . ?
O44 S3 C195 F9 61.4(19) . . . . ?
O45 S3 C195 F7 -68(2) . . . . ?
O45 S3 C195 F8 65(3) . . . . ?
O45 S3 C195 F9 169.5(19) . . . . ?
O46 S4 C196 F10 -55(2) . . . . ?
O46 S4 C196 F11 56(2) . . . . ?
O46 S4 C196 F12 175(2) . . . . ?
O47 S4 C196 F10 88(2) . . . . ?
O47 S4 C196 F11 -161(2) . . . . ?
O47 S4 C196 F12 -43(3) . . . . ?
O48 S4 C196 F10 -166(2) . . . . ?
O48 S4 C196 F11 -56(2) . . . . ?
O48 S4 C196 F12 63(3) . . . . ?
C1 C2 C3 Cl1 -177.7(7) . . . . ?
C1 C2 C3 C4 3.6(14) . . . . ?
C2 C1 C6 Cl2 175.0(7) . . . . ?
C2 C1 C6 C5 -7.1(16) . . . . ?
C2 C3 C4 O3 175.8(9) . . . . ?
C2 C3 C4 C5 -5.4(14) . . . . ?
C3 C4 C5 O4 -176.9(8) . . . . ?
C3 C4 C5 C6 1.0(14) . . . . ?
C4 C5 C6 Cl2 -176.8(7) . . . . ?
C4 C5 C6 C1 5.3(16) . . . . ?
C6 C1 C2 O2 -177.3(9) . . . . ?
C6 C1 C2 C3 2.7(14) . . . . ?
C7 C8 C9 Cl3 176.6(8) . . . . ?
C7 C8 C9 C10 -2.7(16) . . . . ?
C8 C7 C12 Cl4 -174.6(8) . . . . ?
C8 C7 C12 C11 6.6(16) . . . . ?
C8 C9 C10 O7 -174.8(10) . . . . ?
C8 C9 C10 C11 6.5(16) . . . . ?
C9 C10 C11 O8 174.6(9) . . . . ?
C9 C10 C11 C12 -3.9(15) . . . . ?
C10 C11 C12 Cl4 178.4(7) . . . . ?
C10 C11 C12 C7 -2.9(16) . . . . ?
C12 C7 C8 O6 176.4(10) . . . . ?
C12 C7 C8 C9 -3.9(16) . . . . ?
C13 N1 C17 C16 2.6(15) . . . . ?
C13 C14 C15 C16 -5.0(17) . . . . ?
C13 C14 C18 O10 -156.0(11) . . . . ?
C13 C14 C18 C19 25.6(18) . . . . ?
C14 C15 C16 C17 2.2(15) . . . . ?
C14 C15 C16 C25 -178.9(10) . . . . ?
C14 C18 C19 C20 176.6(12) . . . . ?
C15 C14 C18 O10 19.6(16) . . . . ?
C15 C14 C18 C19 -158.8(12) . . . . ?
C15 C16 C17 N1 -1.1(15) . . . . ?
C15 C16 C25 O11 -20.8(15) . . . . ?
C15 C16 C25 C26 159.9(13) . . . . ?
C16 C25 C26 C27 -175.3(19) . . . . ?
C17 N1 C13 C14 -5.2(16) . . . . ?
C17 C16 C25 O11 158.0(10) . . . . ?
C17 C16 C25 C26 -21.3(19) . . . . ?
C18 C14 C15 C16 179.4(10) . . . . ?
C18 C19 C20 O9 3(3) . . . . ?
C18 C19 C20 C21 -176.1(15) . . . . ?
C19 C20 C21 C22 -98.6(19) . . . . ?
C19 C20 C21 C23 19(2) . . . . ?
C19 C20 C21 C24 139.7(19) . . . . ?
C25 C16 C17 N1 180.0(9) . . . . ?
C25 C26 C27 O12 -11(4) . . . . ?
C25 C26 C27 C28 -173.1(19) . . . . ?
C26 C27 C28 C29 96(3) . . . . ?
C26 C27 C28 C30 -140(3) . . . . ?
C26 C27 C28 C31 -23(3) . . . . ?
C26 C27 C28 C29' 154(3) . . . . ?
C26 C27 C28 C30' -93(3) . . . . ?
C26 C27 C28 C31' 25(3) . . . . ?
C32 N2 C36 C35 0(2) . . . . ?
C32 C33 C34 C35 4.0(19) . . . . ?
C32 C33 C37 O14 171.4(12) . . . . ?
C32 C33 C37 C38 -6(2) . . . . ?
C33 C34 C35 C36 -3(2) . . . . ?
C33 C34 C35 C44 -178.9(13) . . . . ?
C33 C37 C38 C39 -176.9(16) . . . . ?
C34 C33 C37 O14 -10.5(19) . . . . ?
C34 C33 C37 C38 171.6(15) . . . . ?
C34 C35 C36 N2 1(2) . . . . ?
C34 C35 C44 O15 8(2) . . . . ?
C34 C35 C44 C45 -170.2(15) . . . . ?
C35 C44 C45 C46 -177.0(19) . . . . ?
C36 N2 C32 C33 1(2) . . . . ?
C36 C35 C44 O15 -167.8(14) . . . . ?
C36 C35 C44 C45 14(2) . . . . ?
C37 C33 C34 C35 -174.3(13) . . . . ?
C37 C38 C39 O13 5(3) . . . . ?
C37 C38 C39 C40 -163.6(17) . . . . ?
C37 C38 C39 C40' 156(2) . . . . ?
C38 C39 C40 C41 -70(2) . . . . ?
C38 C39 C40 C42 55(2) . . . . ?
C38 C39 C40 C43 175.2(17) . . . . ?
C38 C39 C40' C41' -73(3) . . . . ?
C38 C39 C40' C42' 46(3) . . . . ?
C38 C39 C40' C43' 163(3) . . . . ?
C44 C35 C36 N2 176.4(13) . . . . ?
C44 C45 C46 O16 -5(4) . . . . ?
C44 C45 C46 C47 156.7(19) . . . . ?
C44 C45 C46 C47' -170(2) . . . . ?
C45 C46 C47 C48 121(2) . . . . ?
C45 C46 C47 C49 -126(2) . . . . ?
C45 C46 C47 C50 1(3) . . . . ?
C45 C46 C47' C48' -89(3) . . . . ?
C45 C46 C47' C49' 23(4) . . . . ?
C45 C46 C47' C50' 153(3) . . . . ?
C51 N3 C55 C54 0.5(14) . . . . ?
C51 C52 C53 C54 0.7(18) . . . . ?
C51 C52 C56 O18 168.4(13) . . . . ?
C51 C52 C56 C57 -5(2) . . . . ?
C51 C52 C56 C57' -5(2) . . . . ?
C52 C53 C54 C55 0.2(17) . . . . ?
C52 C53 C54 C63 176.4(11) . . . . ?
C52 C56 C57 C58 -158.9(16) . . . . ?
C52 C56 C57' C58' 160.2(19) . . . . ?
C53 C52 C56 O18 -11(2) . . . . ?
C53 C52 C56 C57 175.5(16) . . . . ?
C53 C52 C56 C57' 175.5(16) . . . . ?
C53 C54 C55 N3 -0.9(16) . . . . ?
C53 C54 C63 O19 10.6(15) . . . . ?
C53 C54 C63 C64 -168.5(11) . . . . ?
C54 C63 C64 C65 176.2(14) . . . . ?
C55 N3 C51 C52 0.4(15) . . . . ?
C55 C54 C63 O19 -173.6(10) . . . . ?
C55 C54 C63 C64 7.4(17) . . . . ?
C56 C52 C53 C54 179.7(12) . . . . ?
C56 C57 C58 C59 176.5(19) . . . . ?
C56 C57 C58 O17 -40(3) . . . . ?
C56 C57' C58' C59' 180(2) . . . . ?
C56 C57' C58' O17' 19(5) . . . . ?
C57 C58 C59 C60 62(3) . . . . ?
C57 C58 C59 C61 -180(2) . . . . ?
C57 C58 C59 C62 -57(3) . . . . ?
C57 C58 O17 Cu3 43(4) . . . . ?
C57 C58 O17 Cu3' 16(4) . . . . ?
C59 C58 O17 Cu3 -174(2) . . . . ?
C59 C58 O17 Cu3' 159(2) . . . . ?
O17 Cu3 Cu3' O18 92.1(10) . . . . ?
O17 Cu3 Cu3' O22 178.4(10) . . . . ?
O17 Cu3 Cu3' O21 -88.5(12) . . . . ?
O17 Cu3 Cu3' O58 -122(6) . . . . ?
O17 C58 C59 C60 -81(3) . . . . ?
O17 C58 C59 C61 37(4) . . . . ?
O17 C58 C59 C62 159(3) . . . . ?
C57' C58' C59' C60' -100(3) . . . . ?
C57' C58' C59' C61' 144(3) . . . . ?
C57' C58' C59' C62' 26(3) . . . . ?
C57' C58' O17' Cu3 2(6) . . . . ?
C57' C58' O17' Cu3' -21(6) . . . . ?
C59' C58' O17' Cu3 -161(3) . . . . ?
C59' C58' O17' Cu3' 176(2) . . . . ?
O17' Cu3 Cu3' O18 92.9(13) . . . . ?
O17' Cu3 Cu3' O22 179.1(13) . . . . ?
O17' Cu3 Cu3' O21' -84.5(16) . . . . ?
O17' Cu3 Cu3' O58 -121(6) . . . . ?
O17' Cu3 O21' Cu3' 69.3(16) . . . . ?
O17' Cu3 O21' C77' -171(3) . . . . ?
O17' Cu3' O21' Cu3 -94.1(16) . . . . ?
O17' Cu3' O21' C77' -166(3) . . . . ?
O17' C58' C59' C60' 62(4) . . . . ?
O17' C58' C59' C61' -54(4) . . . . ?
O17' C58' C59' C62' -172(3) . . . . ?
C63 C54 C55 N3 -176.7(9) . . . . ?
C63 C64 C65 O20 1(3) . . . . ?
C63 C64 C65 C66 176.5(14) . . . . ?
C64 C65 C66 C67 -168.6(16) . . . . ?
C64 C65 C66 C68 -56(2) . . . . ?
C64 C65 C66 C69 69(2) . . . . ?
C70 N4 C74 C73 2.2(15) . . . . ?
C70 C71 C72 C73 -3.5(16) . . . . ?
C70 C71 C75 O22 -158.7(12) . . . . ?
C70 C71 C75 C76 23(2) . . . . ?
C70 C71 C75 C76' 23(2) . . . . ?
C71 C72 C73 C74 5.0(15) . . . . ?
C71 C72 C73 C82 -179.8(10) . . . . ?
C71 C75 C76 C77 150(3) . . . . ?
C71 C75 C76' C77' -160(2) . . . . ?
C72 C71 C75 O22 17.8(18) . . . . ?
C72 C71 C75 C76 -160.4(16) . . . . ?
C72 C71 C75 C76' -160.4(16) . . . . ?
C72 C73 C74 N4 -4.4(15) . . . . ?
C72 C73 C82 O23 -17.0(15) . . . . ?
C72 C73 C82 C83 157.6(11) . . . . ?
C73 C82 C83 C84 -175.9(13) . . . . ?
C74 N4 C70 C71 -0.5(16) . . . . ?
C74 C73 C82 O23 157.8(10) . . . . ?
C74 C73 C82 C83 -27.5(17) . . . . ?
C75 C71 C72 C73 179.9(11) . . . . ?
C75 C76 C77 C78 152(3) . . . . ?
C75 C76 C77 O21 38(4) . . . . ?
C75 C76' C77' C78' -179(2) . . . . ?
C75 C76' C77' O21' -22(5) . . . . ?
C76 C77 C78 C79 46(4) . . . . ?
C76 C77 C78 C80 158(3) . . . . ?
C76 C77 C78 C81 -80(4) . . . . ?
C76 C77 O21 Cu3 -34(4) . . . . ?
C76 C77 O21 Cu3' -11(4) . . . . ?
C78 C77 O21 Cu3 -164(3) . . . . ?
C78 C77 O21 Cu3' -141(3) . . . . ?
O21 Cu3 Cu3' O18 -179.4(7) . . . . ?
O21 Cu3 Cu3' O22 -93.1(8) . . . . ?
O21 Cu3 Cu3' O17 88.5(12) . . . . ?
O21 Cu3 Cu3' O58 -33(6) . . . . ?
O21 Cu3 O17 Cu3' -107.8(13) . . . . ?
O21 Cu3 O17 C58 147(4) . . . . ?
O21 C77 C78 C79 166(3) . . . . ?
O21 C77 C78 C80 -83(3) . . . . ?
O21 C77 C78 C81 39(4) . . . . ?
C76' C77' C78' C79' -69(4) . . . . ?
C76' C77' C78' C80' 49(3) . . . . ?
C76' C77' C78' C81' 160(3) . . . . ?
C76' C77' O21' Cu3 -9(5) . . . . ?
C76' C77' O21' Cu3' 14(5) . . . . ?
C78' C77' O21' Cu3 148(2) . . . . ?
C78' C77' O21' Cu3' 171(2) . . . . ?
O21' Cu3 Cu3' O18 177.4(9) . . . . ?
O21' Cu3 Cu3' O22 -96.4(9) . . . . ?
O21' Cu3 Cu3' O17' 84.5(16) . . . . ?
O21' Cu3 Cu3' O58 -36(6) . . . . ?
O21' C77' C78' C79' 132(3) . . . . ?
O21' C77' C78' C80' -111(3) . . . . ?
O21' C77' C78' C81' 0(4) . . . . ?
C82 C73 C74 N4 -179.3(9) . . . . ?
C82 C83 C84 O24 -3(3) . . . . ?
C82 C83 C84 C85 179.9(16) . . . . ?
C83 C84 C85 C86 -136.3(18) . . . . ?
C83 C84 C85 C87 -18(3) . . . . ?
C83 C84 C85 C88 106(2) . . . . ?
C89 C90 C91 Rh1 -59.6(7) . . . . ?
C89 C90 C91 C92 1.9(11) . . . . ?
C89 C90 C91 C96 176.0(12) . . . . ?
C90 C89 C93 Rh1 59.6(7) . . . . ?
C90 C89 C93 C92 -3.5(13) . . . . ?
C90 C89 C93 C98 -175.2(12) . . . . ?
C90 C91 C92 Rh1 -61.5(7) . . . . ?
C90 C91 C92 C93 -4.0(11) . . . . ?
C90 C91 C92 C97 178.4(11) . . . . ?
C91 C92 C93 Rh1 -58.0(7) . . . . ?
C91 C92 C93 C89 4.6(12) . . . . ?
C91 C92 C93 C98 176.4(12) . . . . ?
C93 C89 C90 Rh1 -58.2(8) . . . . ?
C93 C89 C90 C91 1.0(12) . . . . ?
C93 C89 C90 C95 -178.6(10) . . . . ?
C94 C89 C90 Rh1 119.6(12) . . . . ?
C94 C89 C90 C91 178.8(11) . . . . ?
C94 C89 C90 C95 -0.7(18) . . . . ?
C94 C89 C93 Rh1 -118.3(12) . . . . ?
C94 C89 C93 C92 178.6(12) . . . . ?
C94 C89 C93 C98 7(2) . . . . ?
C95 C90 C91 Rh1 119.9(11) . . . . ?
C95 C90 C91 C92 -178.6(10) . . . . ?
C95 C90 C91 C96 -4.5(18) . . . . ?
C96 C91 C92 Rh1 124.2(12) . . . . ?
C96 C91 C92 C93 -178.3(12) . . . . ?
C96 C91 C92 C97 4.1(19) . . . . ?
C97 C92 C93 Rh1 119.8(12) . . . . ?
C97 C92 C93 C89 -177.6(11) . . . . ?
C97 C92 C93 C98 -6(2) . . . . ?
C99 C100 C101 Rh2 -61.3(6) . . . . ?
C99 C100 C101 C102 0.1(10) . . . . ?
C99 C100 C101 C106 177.8(9) . . . . ?
C100 C99 C103 Rh2 60.8(6) . . . . ?
C100 C99 C103 C102 1.9(10) . . . . ?
C100 C99 C103 C108 179.6(9) . . . . ?
C100 C101 C102 Rh2 -60.5(7) . . . . ?
C100 C101 C102 C103 1.0(10) . . . . ?
C100 C101 C102 C107 -177.9(10) . . . . ?
C101 C102 C103 Rh2 -60.9(6) . . . . ?
C101 C102 C103 C99 -1.8(10) . . . . ?
C101 C102 C103 C108 -179.6(9) . . . . ?
C103 C99 C100 Rh2 -62.2(6) . . . . ?
C103 C99 C100 C101 -1.3(10) . . . . ?
C103 C99 C100 C105 177.2(10) . . . . ?
C104 C99 C100 Rh2 119.0(10) . . . . ?
C104 C99 C100 C101 179.9(9) . . . . ?
C104 C99 C100 C105 -1.6(16) . . . . ?
C104 C99 C103 Rh2 -120.4(9) . . . . ?
C104 C99 C103 C102 -179.3(9) . . . . ?
C104 C99 C103 C108 -1.5(16) . . . . ?
C105 C100 C101 Rh2 120.3(11) . . . . ?
C105 C100 C101 C102 -178.3(10) . . . . ?
C105 C100 C101 C106 -0.6(16) . . . . ?
C106 C101 C102 Rh2 121.9(10) . . . . ?
C106 C101 C102 C103 -176.6(9) . . . . ?
C106 C101 C102 C107 4.5(16) . . . . ?
C107 C102 C103 Rh2 118.1(9) . . . . ?
C107 C102 C103 C99 177.2(9) . . . . ?
C107 C102 C103 C108 -0.6(15) . . . . ?
C109 C110 C111 Rh3 -59.3(9) . . . . ?
C109 C110 C111 C112 -0.4(16) . . . . ?
C109 C110 C111 C116 179.0(14) . . . . ?
C110 C109 C113 Rh3 61.1(10) . . . . ?
C110 C109 C113 C112 -0.2(16) . . . . ?
C110 C109 C113 C118 177.5(12) . . . . ?
C110 C111 C112 Rh3 -62.1(11) . . . . ?
C110 C111 C112 C113 0.3(17) . . . . ?
C110 C111 C112 C117 -178.4(15) . . . . ?
C111 C112 C113 Rh3 -64.2(10) . . . . ?
C111 C112 C113 C109 0.0(17) . . . . ?
C111 C112 C113 C118 -177.9(13) . . . . ?
C113 C109 C110 Rh3 -58.3(11) . . . . ?
C113 C109 C110 C111 0.3(15) . . . . ?
C113 C109 C110 C115 -177.6(15) . . . . ?
C114 C109 C110 Rh3 117.9(14) . . . . ?
C114 C109 C110 C111 176.6(13) . . . . ?
C114 C109 C110 C115 -1(2) . . . . ?
C114 C109 C113 Rh3 -115.1(15) . . . . ?
C114 C109 C113 C112 -176.4(14) . . . . ?
C114 C109 C113 C118 1(2) . . . . ?
C115 C110 C111 Rh3 118.3(19) . . . . ?
C115 C110 C111 C112 177.2(18) . . . . ?
C115 C110 C111 C116 -3(3) . . . . ?
C116 C111 C112 Rh3 118.5(15) . . . . ?
C116 C111 C112 C113 -179.1(14) . . . . ?
C116 C111 C112 C117 2(3) . . . . ?
C117 C112 C113 Rh3 114.5(16) . . . . ?
C117 C112 C113 C109 178.7(15) . . . . ?
C117 C112 C113 C118 1(2) . . . . ?
C119 C120 C121 Rh4 -57.5(9) . . . . ?
C119 C120 C121 C122 3.4(15) . . . . ?
C119 C120 C121 C126 -173.6(13) . . . . ?
C120 C119 C123 Rh4 63.9(8) . . . . ?
C120 C119 C123 C122 5.4(14) . . . . ?
C120 C119 C123 C128 -178.2(13) . . . . ?
C120 C121 C122 Rh4 -63.1(10) . . . . ?
C120 C121 C122 C123 -0.1(16) . . . . ?
C120 C121 C122 C127 -176.9(15) . . . . ?
C121 C122 C123 Rh4 -62.2(10) . . . . ?
C121 C122 C123 C119 -3.3(15) . . . . ?
C121 C122 C123 C128 -179.7(13) . . . . ?
C123 C119 C120 Rh4 -63.7(8) . . . . ?
C123 C119 C120 C121 -5.5(15) . . . . ?
C123 C119 C120 C125 179.6(14) . . . . ?
C124 C119 C120 Rh4 121.3(13) . . . . ?
C124 C119 C120 C121 179.4(13) . . . . ?
C124 C119 C120 C125 5(2) . . . . ?
C124 C119 C123 Rh4 -121.1(13) . . . . ?
C124 C119 C123 C122 -179.6(13) . . . . ?
C124 C119 C123 C128 -3(2) . . . . ?
C125 C120 C121 Rh4 117.4(15) . . . . ?
C125 C120 C121 C122 178.2(14) . . . . ?
C125 C120 C121 C126 1(2) . . . . ?
C126 C121 C122 Rh4 113.6(16) . . . . ?
C126 C121 C122 C123 176.6(15) . . . . ?
C126 C121 C122 C127 0(2) . . . . ?
C127 C122 C123 Rh4 113(2) . . . . ?
C127 C122 C123 C119 172(2) . . . . ?
C127 C122 C123 C128 -4(3) . . . . ?
Rh5 O25 C129 C130 3.8(10) . . . . ?
Rh5 O25 C129 C134 -174.9(8) . . . . ?
Rh5 O26 C130 C129 -2.8(9) . . . . ?
Rh5 O26 C130 C131 -178.5(7) . . . . ?
Rh5 N5 C135 C136 176.2(8) . . . . ?
Rh5 N5 C139 C138 -176.3(7) . . . . ?
Rh5 C173 C174 C175 58.6(10) . . . . ?
Rh5 C173 C174 C179 -116.4(13) . . . . ?
Rh5 C173 C177 C176 -64.7(9) . . . . ?
Rh5 C173 C177 C182 123.9(17) . . . . ?
Rh5 C174 C175 C176 60.6(9) . . . . ?
Rh5 C174 C175 C180 -120.6(17) . . . . ?
Rh5 C175 C176 C177 57.6(11) . . . . ?
Rh5 C175 C176 C181 -117.8(15) . . . . ?
Rh5 C176 C177 C173 67.2(8) . . . . ?
Rh5 C176 C177 C182 -121.7(17) . . . . ?
Rh6 O27 C132 C131 175.6(7) . . . . ?
Rh6 O27 C132 C133 -0.5(9) . . . . ?
Rh6 O28 C133 C132 3.4(10) . . . . ?
Rh6 O28 C133 C134 -175.5(7) . . . . ?
Rh6 N6 C154 C155 168.0(7) 2_575 . . . ?
Rh6 N6 C158 C157 -169.9(8) 2_575 . . . ?
Rh6 C183 C184 C185 63.0(8) . . . . ?
Rh6 C183 C184 C189 -123.5(13) . . . . ?
Rh6 C183 C187 C186 -60.8(7) . . . . ?
Rh6 C183 C187 C192 117.9(12) . . . . ?
Rh6 C184 C185 C186 59.2(8) . . . . ?
Rh6 C184 C185 C190 -116.9(11) . . . . ?
Rh6 C185 C186 C187 61.3(7) . . . . ?
Rh6 C185 C186 C191 -118.9(11) . . . . ?
Rh6 C186 C187 C183 61.3(8) . . . . ?
Rh6 C186 C187 C192 -117.5(11) . . . . ?
Cu5 O29 C142 C141 9.6(17) . . . . ?
Cu5 O29 C142 C143 -171.2(9) . . . . ?
Cu5 O30 C140 C136 178.9(7) . . . . ?
Cu5 O30 C140 C141 3.4(16) . . . . ?
Cu5 O33 C161 C160 1.7(15) . . . . ?
Cu5 O33 C161 C162 -177.9(7) . . . . ?
Cu5 O34 C159 C155 -176.1(6) . . . . ?
Cu5 O34 C159 C160 3.6(15) . . . . ?
Cu6 O31 C147 C138 -175.3(6) . . . . ?
Cu6 O31 C147 C148 4.4(14) . . . . ?
Cu6 O32 C149 C148 -2.3(19) . . . . ?
Cu6 O32 C149 C150 174.9(8) . . . . ?
Cu6 O35 C166 C157 176.5(6) . . . . ?
Cu6 O35 C166 C167 -5.8(16) . . . . ?
Cu6 O36 C168 C167 1.6(16) . . . . ?
Cu6 O36 C168 C169 175.8(7) . . . . ?
Cl5 C131 C132 O27 -0.5(13) . . . . ?
Cl5 C131 C132 C133 175.5(6) . . . . ?
N5 C135 C136 C137 -1.5(16) . . . . ?
N5 C135 C136 C140 -178.2(9) . . . . ?
N6 C154 C155 C156 3.6(15) . . . . ?
N6 C154 C155 C159 -176.8(8) . . . . ?
C129 C130 C131 Cl5 -173.0(6) . . . . ?
C129 C130 C131 C132 10.9(14) . . . . ?
C130 C129 C134 Cl6 179.8(7) . . . . ?
C130 C129 C134 C133 -1.6(14) . . . . ?
C130 C131 C132 O27 175.7(8) . . . . ?
C130 C131 C132 C133 -8.3(13) . . . . ?
C131 C132 C133 O28 -178.4(8) . . . . ?
C131 C132 C133 C134 0.5(13) . . . . ?
C132 C133 C134 Cl6 -177.3(7) . . . . ?
C132 C133 C134 C129 4.2(14) . . . . ?
C134 C129 C130 O26 178.2(8) . . . . ?
C134 C129 C130 C131 -5.9(13) . . . . ?
C135 N5 C139 C138 0.9(14) . . . . ?
C135 C136 C137 C138 3.8(15) . . . . ?
C135 C136 C140 O30 158.7(10) . . . . ?
C135 C136 C140 C141 -25.4(15) . . . . ?
C136 C137 C138 C139 -3.8(14) . . . . ?
C136 C137 C138 C147 -180.0(9) . . . . ?
C136 C140 C141 C142 -176.1(10) . . . . ?
C137 C136 C140 O30 -18.1(14) . . . . ?
C137 C136 C140 C141 157.8(10) . . . . ?
C137 C138 C139 N5 1.4(14) . . . . ?
C137 C138 C147 O31 23.0(12) . . . . ?
C137 C138 C147 C148 -156.6(9) . . . . ?
C138 C147 C148 C149 176.5(10) . . . . ?
C139 N5 C135 C136 -0.9(15) . . . . ?
C139 C138 C147 O31 -152.8(9) . . . . ?
C139 C138 C147 C148 27.5(14) . . . . ?
C140 C136 C137 C138 -179.2(9) . . . . ?
C140 C141 C142 O29 -6.1(18) . . . . ?
C140 C141 C142 C143 174.7(12) . . . . ?
C141 C142 C143 C144 107.8(15) . . . . ?
C141 C142 C143 C145 -131.1(16) . . . . ?
C141 C142 C143 C146 -11(2) . . . . ?
C147 C138 C139 N5 177.4(9) . . . . ?
C147 C148 C149 O32 2(2) . . . . ?
C147 C148 C149 C150 -175.0(11) . . . . ?
C148 C149 C150 C151 36(2) . . . . ?
C148 C149 C150 C152 164.0(18) . . . . ?
C148 C149 C150 C153 -83.2(17) . . . . ?
C148 C149 C150 C251 110(2) . . . . ?
C148 C149 C150 C252 -136(2) . . . . ?
C148 C149 C150 C253 -12(2) . . . . ?
C154 N6 C158 C157 0.7(14) . . . . ?
C154 C155 C156 C157 -3.5(15) . . . . ?
C154 C155 C159 O34 -170.1(9) . . . . ?
C154 C155 C159 C160 10.2(14) . . . . ?
C155 C156 C157 C158 2.0(15) . . . . ?
C155 C156 C157 C166 -177.6(9) . . . . ?
C155 C159 C160 C161 177.4(9) . . . . ?
C156 C155 C159 O34 9.5(13) . . . . ?
C156 C155 C159 C160 -170.3(9) . . . . ?
C156 C157 C158 N6 -0.6(16) . . . . ?
C156 C157 C166 O35 -18.0(14) . . . . ?
C156 C157 C166 C167 164.2(10) . . . . ?
C157 C166 C167 C168 172.8(10) . . . . ?
C158 N6 C154 C155 -2.2(14) . . . . ?
C158 C157 C166 O35 162.5(10) . . . . ?
C158 C157 C166 C167 -15.4(15) . . . . ?
C159 C155 C156 C157 177.0(9) . . . . ?
C159 C160 C161 O33 -0.6(17) . . . . ?
C159 C160 C161 C162 179.0(9) . . . . ?
C160 C161 C162 C163 176.0(11) . . . . ?
C160 C161 C162 C164 -68.9(16) . . . . ?
C160 C161 C162 C165 55.4(14) . . . . ?
C166 C157 C158 N6 178.9(9) . . . . ?
C166 C167 C168 O36 7.0(19) . . . . ?
C166 C167 C168 C169 -167.2(11) . . . . ?
C167 C168 C169 C170 -162.5(11) . . . . ?
C167 C168 C169 C171 -42.6(18) . . . . ?
C167 C168 C169 C172 80.0(16) . . . . ?
C173 C174 C175 Rh5 -57.8(9) . . . . ?
C173 C174 C175 C176 2.8(15) . . . . ?
C173 C174 C175 C180 -178.4(15) . . . . ?
C174 C173 C177 Rh5 61.0(8) . . . . ?
C174 C173 C177 C176 -3.8(13) . . . . ?
C174 C173 C177 C182 -175.1(15) . . . . ?
C174 C175 C176 Rh5 -63.1(9) . . . . ?
C174 C175 C176 C177 -5.5(17) . . . . ?
C174 C175 C176 C181 179.1(14) . . . . ?
C175 C176 C177 Rh5 -61.1(12) . . . . ?
C175 C176 C177 C173 6.0(16) . . . . ?
C175 C176 C177 C182 177.2(16) . . . . ?
C177 C173 C174 Rh5 -57.9(8) . . . . ?
C177 C173 C174 C175 0.7(15) . . . . ?
C177 C173 C174 C179 -174.3(12) . . . . ?
C178 C173 C174 Rh5 119.0(12) . . . . ?
C178 C173 C174 C175 177.6(13) . . . . ?
C178 C173 C174 C179 3(2) . . . . ?
C178 C173 C177 Rh5 -115.9(12) . . . . ?
C178 C173 C177 C176 179.4(13) . . . . ?
C178 C173 C177 C182 8(2) . . . . ?
C179 C174 C175 Rh5 117.5(12) . . . . ?
C179 C174 C175 C176 178.2(12) . . . . ?
C179 C174 C175 C180 -3(2) . . . . ?
C180 C175 C176 Rh5 118(2) . . . . ?
C180 C175 C176 C177 175.9(18) . . . . ?
C180 C175 C176 C181 0(3) . . . . ?
C181 C176 C177 Rh5 114.1(16) . . . . ?
C181 C176 C177 C173 -178.8(14) . . . . ?
C181 C176 C177 C182 -8(3) . . . . ?
C183 C184 C185 Rh6 -62.6(7) . . . . ?
C183 C184 C185 C186 -3.4(13) . . . . ?
C183 C184 C185 C190 -179.5(11) . . . . ?
C184 C183 C187 Rh6 59.4(8) . . . . ?
C184 C183 C187 C186 -1.4(12) . . . . ?
C184 C183 C187 C192 177.4(11) . . . . ?
C184 C185 C186 Rh6 -58.7(8) . . . . ?
C184 C185 C186 C187 2.6(13) . . . . ?
C184 C185 C186 C191 -177.6(11) . . . . ?
C185 C186 C187 Rh6 -62.0(8) . . . . ?
C185 C186 C187 C183 -0.7(12) . . . . ?
C185 C186 C187 C192 -179.5(11) . . . . ?
C187 C183 C184 Rh6 -60.0(8) . . . . ?
C187 C183 C184 C185 2.9(13) . . . . ?
C187 C183 C184 C189 176.5(12) . . . . ?
C188 C183 C184 Rh6 120.6(13) . . . . ?
C188 C183 C184 C185 -176.5(12) . . . . ?
C188 C183 C184 C189 -3(2) . . . . ?
C188 C183 C187 Rh6 -121.2(12) . . . . ?
C188 C183 C187 C186 178.0(11) . . . . ?
C188 C183 C187 C192 -3(2) . . . . ?
C189 C184 C185 Rh6 124.1(14) . . . . ?
C189 C184 C185 C186 -176.7(12) . . . . ?
C189 C184 C185 C190 7(2) . . . . ?
C190 C185 C186 Rh6 117.2(12) . . . . ?
C190 C185 C186 C187 178.5(11) . . . . ?
C190 C185 C186 C191 -1.7(19) . . . . ?
C191 C186 C187 Rh6 118.2(10) . . . . ?
C191 C186 C187 C183 179.5(10) . . . . ?
C191 C186 C187 C192 0.7(17) . . . . ?
C199 C200 C201 C202 -1(4) . . . . ?
C199 C213 C214 C202 -1(2) . . . . ?
C199 C213 C214 C206 178.4(14) . . . . ?
C200 C199 C212 C211 -176(2) . . . . ?
C200 C199 C213 C209 178.5(17) . . . . ?
C200 C199 C213 C214 -1(2) . . . . ?
C200 C201 C202 C203 180(2) . . . . ?
C200 C201 C202 C214 -1(4) . . . . ?
C201 C202 C203 C204 177(2) . . . . ?
C201 C202 C214 C206 -177.0(19) . . . . ?
C201 C202 C214 C213 2(3) . . . . ?
C202 C203 C204 C205 0(4) . . . . ?
C203 C202 C214 C206 2(3) . . . . ?
C203 C202 C214 C213 -178.9(16) . . . . ?
C203 C204 C205 C206 1(4) . . . . ?
C204 C205 C206 C207 176(2) . . . . ?
C204 C205 C206 C214 -1(3) . . . . ?
C205 C206 C207 C208 -180(3) . . . . ?
C205 C206 C214 C202 -1(3) . . . . ?
C205 C206 C214 C213 -179.8(17) . . . . ?
C206 C207 C208 C209 0(5) . . . . ?
C207 C206 C214 C202 -177.4(19) . . . . ?
C207 C206 C214 C213 3(3) . . . . ?
C207 C208 C209 C210 -175(3) . . . . ?
C207 C208 C209 C213 2(4) . . . . ?
C208 C209 C210 C211 -176(3) . . . . ?
C208 C209 C213 C199 178.6(19) . . . . ?
C208 C209 C213 C214 -2(3) . . . . ?
C209 C210 C211 C212 -5(5) . . . . ?
C209 C213 C214 C202 179.3(15) . . . . ?
C209 C213 C214 C206 -1(2) . . . . ?
C210 C209 C213 C199 -4(3) . . . . ?
C210 C209 C213 C214 176.1(17) . . . . ?
C210 C211 C212 C199 -1(4) . . . . ?
C212 C199 C200 C201 -178(2) . . . . ?
C212 C199 C213 C209 -1(2) . . . . ?
C212 C199 C213 C214 179.1(15) . . . . ?
C213 C199 C200 C201 2(3) . . . . ?
C213 C199 C212 C211 3(3) . . . . ?
C213 C209 C210 C211 6(3) . . . . ?
C214 C202 C203 C204 -2(3) . . . . ?
C214 C206 C207 C208 -3(4) . . . . ?
C215 C216 C217 C218 179.6(16) . . . . ?
C215 C216 C217 C222 -3(2) . . . . ?
C215 C221 C222 C217 -174.6(14) 2_575 . . . ?
C215 C221 C222 C222 3(3) 2_575 . . 2_575 ?
C216 C217 C218 C219 174.8(16) . . . . ?
C216 C217 C222 C221 -177.5(13) . . . . ?
C216 C217 C222 C222 5(2) . . . 2_575 ?
C217 C218 C219 C220 2(3) . . . . ?
C218 C217 C222 C221 0(2) . . . . ?
C218 C217 C222 C222 -177.5(16) . . . 2_575 ?
C218 C219 C220 C221 1(3) . . . . ?
C219 C220 C221 C215 174.4(17) . . . 2_575 ?
C219 C220 C221 C222 -3(2) . . . . ?
C220 C221 C222 C217 3(2) . . . . ?
C220 C221 C222 C222 -179.7(15) . . . 2_575 ?
C221 C215 C216 C217 -2(3) 2_575 . . . ?
C222 C217 C218 C219 -3(3) . . . . ?
C223 C224 O55 C225 178(2) . . . . ?
C226 C225 O55 C224 179(3) . . . . ?
O56 Cu1 Cu1' O9 27(2) . . . . ?
O56 Cu1 Cu1' O10 -79.9(12) . . . . ?
O56 Cu1 Cu1' O13 102.7(13) . . . . ?
O56 Cu1 Cu1' O14 -157.1(18) . . . . ?
O56 Cu1 O9 Cu1' -17.5(14) . . . . ?
O56 Cu1 O9 C20 97.9(16) . . . . ?
O56 Cu1 O10 Cu1' 40.6(10) . . . . ?
O56 Cu1 O10 C18 -98.3(11) . . . . ?
O56 Cu1' O13 Cu1 127.8(12) . . . . ?
O56 Cu1' O13 C39 -93.6(14) . . . . ?
O56 Cu1' O14 Cu1 -160.1(16) . . . . ?
O56 Cu1' O14 C37 90.8(12) . . . . ?
O58 Cu3' O21' Cu3 172.2(13) . . . . ?
O58 Cu3' O21' C77' 100(3) . . . . ?
O57 Cu2' O15 Cu2 177(2) . . . . ?
O57 Cu2' O15 C44 -87.0(16) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_G2_1a
_database_code_depnum_ccdc_archive 'CCDC 1571147'
_audit_update_record             
;
2018-01-04 deposited with the CCDC.
2018-01-09 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C161 H222 Cl4 Cu4 F12 N4 O52 Rh4 S4'
_chemical_formula_weight         4209.25

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'
Cu Cu -1.9646 0.5888 '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                   18.8853(4)
_cell_length_b                   23.8735(5)
_cell_length_c                   24.2980(5)
_cell_angle_alpha                76.1101(7)
_cell_angle_beta                 73.5033(7)
_cell_angle_gamma                70.7871(8)
_cell_volume                     9788.1(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9820
_cell_measurement_theta_min      2.53
_cell_measurement_theta_max      70.21

_exptl_crystal_description       block
_exptl_crystal_colour            green
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.428
_exptl_crystal_F_000             4336
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.280
_exptl_crystal_size_min          0.170
_exptl_absorpt_coefficient_mu    4.761
_shelx_estimated_absorpt_T_min   0.329
_shelx_estimated_absorpt_T_max   0.498
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.102
_exptl_absorpt_correction_T_max  0.224
_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            130906
_diffrn_reflns_av_unetI/netI     0.0367
_diffrn_reflns_av_R_equivalents  0.0367
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         2.530
_diffrn_reflns_theta_max         70.308
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measured_fraction_theta_full 0.977
_diffrn_reflns_Laue_measured_fraction_max 0.973
_diffrn_reflns_Laue_measured_fraction_full 0.977
_diffrn_reflns_point_group_measured_fraction_max 0.973
_diffrn_reflns_point_group_measured_fraction_full 0.977
_reflns_number_total             36343
_reflns_number_gt                30598
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          
; 
 The metallabipyridine ligands were disordered and they were 
 divided into two parts (52:48 for one ligand, 59:41 for a 
 part of another ligand and 43:57 for the rest). 93 ISOR and 
 69 DFIX instructions were used to restrain anions, ligands, 
 guest molecules and Cp* fragments so that there were 627 
 restraints in the data. Hydrogen of methanol, water and 
 corannulene molecules could not be found and others were put 
 in calculated positions. 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0979P)²+18.5494P] 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         36343
_refine_ls_number_parameters     2291
_refine_ls_number_restraints     627
_refine_ls_R_factor_all          0.0675
_refine_ls_R_factor_gt           0.0598
_refine_ls_wR_factor_ref         0.1890
_refine_ls_wR_factor_gt          0.1807
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_restrained_S_all      1.071
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.144 0.356 0.067 2854 942 ' '
2 0.239 0.616 0.746 27 0 ' '
3 0.177 0.908 0.779 9 1 ' '
4 0.234 0.587 0.258 8 0 ' '
5 0.251 0.746 0.954 14 -1 ' '
6 0.275 0.907 0.712 14 1 ' '
7 0.307 0.908 0.217 9 0 ' '
8 0.693 0.092 0.783 8 0 ' '
9 0.734 0.093 0.282 16 1 ' '
10 0.761 0.384 0.254 27 1 ' '
11 0.749 0.254 0.046 14 -1 ' '
12 0.766 0.412 0.742 8 0 ' '
13 0.832 0.092 0.214 7 1 ' '
_platon_squeeze_void_probe_radius 1.20
_platon_squeeze_details          
; 
 In asymmetric unit of this data, there were disordered 
 anions and solvents (three triflate anions, eight methanol 
 and four 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 0.16777(2) 0.08305(2) 0.65259(2) 0.04201(9) Uani 1 1 d . . . . .
Rh2 Rh -0.18045(2) -0.06305(2) 0.72964(2) 0.04112(9) Uani 1 1 d . . . . .
Rh3 Rh 0.65957(2) 0.58415(2) 0.77077(2) 0.04289(9) Uani 1 1 d . . . . .
Rh4 Rh 0.31698(2) 0.43173(2) 0.84646(2) 0.03885(9) Uani 1 1 d . . . . .
Cl1 Cl 0.11171(7) -0.12017(5) 0.69487(7) 0.0674(3) Uani 1 1 d . . . . .
Cl2 Cl -0.12575(6) 0.13808(5) 0.71086(6) 0.0559(3) Uani 1 1 d . . . . .
Cl3 Cl 0.60973(7) 0.37920(6) 0.80799(8) 0.0721(4) Uani 1 1 d . . . . .
Cl4 Cl 0.36968(7) 0.63751(5) 0.78723(6) 0.0589(3) Uani 1 1 d . . . . .
N1 N 0.1541(2) 0.07652(17) 0.74344(15) 0.0473(8) Uani 1 1 d . . . . .
N2 N 0.1779(2) 0.07116(17) 1.18202(14) 0.0442(8) Uani 1 1 d . . . . .
N3 N 0.6601(2) 0.58860(18) 0.68245(14) 0.0456(8) Uani 1 1 d . . . . .
N4 N 0.6645(2) 0.56452(16) 0.24439(14) 0.0403(7) Uani 1 1 d . . . . .
O1 O 0.04587(16) 0.10653(13) 0.67254(12) 0.0419(6) Uani 1 1 d . . . . .
O2 O 0.14402(16) -0.00126(14) 0.67291(13) 0.0462(7) Uani 1 1 d . . . . .
O3 O -0.05967(17) -0.08607(13) 0.71422(12) 0.0430(6) Uani 1 1 d . . . . .
O4 O -0.15784(16) 0.02100(13) 0.72092(12) 0.0429(6) Uani 1 1 d . . . . .
S1 S 0.54559(16) 0.48255(13) 0.03947(12) 0.0648(6) Uani 0.5 1 d . . P . .
S2 S 1.00027(15) 0.03300(12) 0.53807(10) 0.0564(5) Uani 0.5 1 d . . P . .
F1 F 0.5692(7) 0.3789(5) 0.0081(5) 0.128(4) Uani 0.5 1 d . . P . .
F2 F 0.6693(6) 0.4057(4) -0.0046(4) 0.111(3) Uani 0.5 1 d . . P . .
F3 F 0.6148(6) 0.3747(5) 0.0795(4) 0.130(4) Uani 0.5 1 d . . P . .
F4 F 0.9621(5) 0.1445(4) 0.4868(4) 0.113(3) Uani 0.5 1 d D . P . .
F5 F 0.8765(7) 0.0993(6) 0.5028(6) 0.160(5) Uani 0.5 1 d D . P . .
F6 F 0.9019(8) 0.1266(5) 0.5711(4) 0.153(5) Uani 0.5 1 d D . P . .
Cu1 Cu 0.3276(5) -0.0661(4) 0.9552(3) 0.072(2) Uani 0.52(2) 1 d . U P A 1
Cu2 Cu 0.0068(5) 0.2172(3) 0.9664(2) 0.0554(12) Uani 0.52(2) 1 d . U P A 1
O5 O 0.3693(13) -0.1247(11) 0.9056(12) 0.081(7) Uani 0.52(2) 1 d . U P A 1
O6 O 0.2734(19) -0.0105(18) 0.9014(18) 0.054(6) Uani 0.52(2) 1 d . U P A 1
O7 O 0.0684(7) 0.1693(5) 0.9071(4) 0.053(3) Uani 0.52(2) 1 d . U P A 1
O8 O -0.0711(7) 0.2579(5) 0.9234(5) 0.051(2) Uani 0.52(2) 1 d . U P A 1
O9 O 0.3854(9) -0.1216(7) 1.0083(7) 0.051(3) Uani 0.52(2) 1 d . U P A 1
O10 O 0.281(2) -0.009(2) 1.009(2) 0.056(7) Uani 0.52(2) 1 d . U P A 1
O11 O 0.0745(9) 0.1660(7) 1.0168(7) 0.053(3) Uani 0.52(2) 1 d . U P A 1
O12 O -0.0617(12) 0.2593(9) 1.0290(10) 0.058(4) Uani 0.52(2) 1 d . U P A 1
Cu1' Cu 0.3236(5) -0.0708(3) 0.9572(3) 0.0571(16) Uani 0.48(2) 1 d . U P A 2
Cu2' Cu -0.0174(6) 0.2005(5) 0.9789(3) 0.065(2) Uani 0.48(2) 1 d . U P A 2
O5' O 0.3508(12) -0.1351(8) 0.9115(10) 0.049(3) Uani 0.48(2) 1 d . U P A 2
O6' O 0.257(2) -0.0165(18) 0.907(2) 0.052(6) Uani 0.48(2) 1 d . U P A 2
O7' O 0.0400(8) 0.1503(6) 0.9217(5) 0.058(3) Uani 0.48(2) 1 d . U P A 2
O8' O -0.0968(8) 0.2416(6) 0.9334(6) 0.058(3) Uani 0.48(2) 1 d . U P A 2
O9' O 0.3661(10) -0.1350(7) 1.0169(7) 0.048(3) Uani 0.48(2) 1 d . U P A 2
O10' O 0.270(3) -0.016(2) 1.012(2) 0.050(6) Uani 0.48(2) 1 d . U P A 2
O11' O 0.0531(9) 0.1519(8) 1.0271(7) 0.056(4) Uani 0.48(2) 1 d . U P A 2
O12' O -0.0792(12) 0.2466(10) 1.0381(10) 0.060(4) Uani 0.48(2) 1 d . U P A 2
C1 C 0.0173(2) 0.06286(18) 0.68570(16) 0.0386(8) Uani 1 1 d . . . . .
C2 C 0.0745(2) 0.00050(19) 0.68359(17) 0.0400(8) Uani 1 1 d . . . . .
C3 C 0.0475(2) -0.0492(2) 0.69532(18) 0.0447(9) Uani 1 1 d . . . . .
C4 C -0.0308(2) -0.04340(18) 0.70606(17) 0.0392(8) Uani 1 1 d . . . . .
C5 C -0.0883(2) 0.01866(18) 0.71012(16) 0.0380(8) Uani 1 1 d . . . . .
C6 C -0.0611(2) 0.06864(18) 0.70230(18) 0.0413(9) Uani 1 1 d . . . . .
C7 C 0.2024(3) 0.0312(2) 0.77056(18) 0.0477(10) Uani 1 1 d . . . . .
H7 H 0.2387 0.0014 0.7490 0.057 Uiso 1 1 calc R U . . .
C8 C 0.2017(3) 0.0257(2) 0.82840(19) 0.0507(11) Uani 1 1 d . . . . .
C9 C 0.1479(3) 0.0689(2) 0.8594(2) 0.0627(14) Uani 1 1 d . . . . .
H9 H 0.1468 0.0669 0.8991 0.075 Uiso 1 1 calc R U . . .
C10 C 0.0953(3) 0.1153(2) 0.8324(2) 0.0596(13) Uani 1 1 d . . . . .
C11 C 0.1012(3) 0.1179(2) 0.77378(19) 0.0495(10) Uani 1 1 d . . . . .
H11 H 0.0668 0.1500 0.7545 0.059 Uiso 1 1 calc R U . . .
C12 C 0.2566(3) -0.0249(2) 0.85856(19) 0.0521(11) Uani 1 1 d . . . . .
C13 C 0.2899(3) -0.0771(2) 0.8366(2) 0.0634(14) Uani 1 1 d . . . . .
H13 H 0.2798 -0.0790 0.8011 0.076 Uiso 1 1 calc R U . . .
C14 C 0.3389(4) -0.1288(3) 0.8634(3) 0.0769(18) Uani 1 1 d . . . . .
C15 C 0.3693(6) -0.1864(4) 0.8376(4) 0.122(3) Uani 1 1 d D U . . .
C16 C 0.3164(8) -0.1937(5) 0.8073(6) 0.180(6) Uani 1 1 d . U . . .
H16A H 0.3377 -0.2324 0.7932 0.270 Uiso 1 1 calc R U . . .
H16B H 0.3099 -0.1610 0.7742 0.270 Uiso 1 1 calc R U . . .
H16C H 0.2664 -0.1924 0.8342 0.270 Uiso 1 1 calc R U . . .
C17 C 0.4355(9) -0.1749(7) 0.7858(7) 0.251(9) Uani 1 1 d D U . . .
H17A H 0.4249 -0.1317 0.7708 0.377 Uiso 1 1 calc R U . . .
H17B H 0.4396 -0.1965 0.7550 0.377 Uiso 1 1 calc R U . . .
H17C H 0.4839 -0.1891 0.7988 0.377 Uiso 1 1 calc R U . . .
C18 C 0.4051(11) -0.2357(5) 0.8752(7) 0.230(9) Uani 1 1 d . U . . .
H18A H 0.4383 -0.2235 0.8918 0.344 Uiso 1 1 calc R U . . .
H18B H 0.3658 -0.2495 0.9066 0.344 Uiso 1 1 calc R U . . .
H18C H 0.4363 -0.2685 0.8533 0.344 Uiso 1 1 calc R U . . .
C19 C 0.0366(4) 0.1600(3) 0.8683(2) 0.0763(18) Uani 1 1 d . U . . .
C20 C -0.0302(3) 0.1951(2) 0.8505(2) 0.0674(15) Uani 1 1 d . . . . .
H20 H -0.0379 0.1899 0.8153 0.081 Uiso 1 1 calc R U . . .
C21 C -0.0873(4) 0.2382(3) 0.8822(2) 0.0773(18) Uani 1 1 d . . . . .
C22 C -0.1622(4) 0.2745(3) 0.8617(3) 0.082(2) Uani 1 1 d . . . . .
C23 C -0.1805(6) 0.2459(4) 0.8205(4) 0.132(4) Uani 1 1 d . U . . .
H23A H -0.2333 0.2662 0.8159 0.198 Uiso 1 1 calc R U . . .
H23B H -0.1755 0.2033 0.8362 0.198 Uiso 1 1 calc R U . . .
H23C H -0.1447 0.2496 0.7826 0.198 Uiso 1 1 calc R U . . .
C24 C -0.2301(5) 0.2780(5) 0.9153(4) 0.130(4) Uani 1 1 d . . . . .
H24A H -0.2788 0.2955 0.9026 0.196 Uiso 1 1 calc R U . . .
H24B H -0.2265 0.3033 0.9402 0.196 Uiso 1 1 calc R U . . .
H24C H -0.2283 0.2375 0.9373 0.196 Uiso 1 1 calc R U . . .
C25 C -0.1546(6) 0.3364(4) 0.8356(4) 0.120(3) Uani 1 1 d . . . . .
H25A H -0.1116 0.3342 0.8015 0.180 Uiso 1 1 calc R U . . .
H25B H -0.1450 0.3539 0.8644 0.180 Uiso 1 1 calc R U . . .
H25C H -0.2023 0.3616 0.8238 0.180 Uiso 1 1 calc R U . . .
C26 C 0.2257(3) 0.0275(2) 1.15219(18) 0.0485(10) Uani 1 1 d . . . . .
H26 H 0.2631 -0.0031 1.1700 0.058 Uiso 1 1 calc R U . . .
C27 C 0.2227(3) 0.0253(2) 1.09665(18) 0.0475(10) Uani 1 1 d . . . . .
C28 C 0.1678(3) 0.0705(2) 1.07121(18) 0.0471(10) Uani 1 1 d . . . . .
H28 H 0.1650 0.0706 1.0328 0.057 Uiso 1 1 calc R U . . .
C29 C 0.1171(3) 0.1154(2) 1.10169(18) 0.0463(10) Uani 1 1 d . . . . .
C30 C 0.1246(3) 0.1145(2) 1.15720(18) 0.0449(9) Uani 1 1 d . . . . .
H30 H 0.0909 0.1455 1.1783 0.054 Uiso 1 1 calc R U . . .
C31 C 0.2751(3) -0.0241(2) 1.06322(19) 0.0545(12) Uani 1 1 d . . . . .
C32 C 0.3162(4) -0.0765(3) 1.0920(2) 0.0704(17) Uani 1 1 d . . . . .
H32 H 0.3109 -0.0795 1.1326 0.084 Uiso 1 1 calc R U . . .
C33 C 0.3653(4) -0.1253(3) 1.0650(2) 0.0693(15) Uani 1 1 d . . . . .
C34 C 0.4115(5) -0.1808(3) 1.1005(3) 0.096(3) Uani 1 1 d D . . . .
C35 C 0.4416(6) -0.2347(3) 1.0713(4) 0.123(3) Uani 1 1 d . U . . .
H35A H 0.4725 -0.2251 1.0323 0.185 Uiso 1 1 calc R U . . .
H35B H 0.3984 -0.2470 1.0681 0.185 Uiso 1 1 calc R U . . .
H35C H 0.4736 -0.2676 1.0941 0.185 Uiso 1 1 calc R U . . .
C36 C 0.4698(9) -0.1633(5) 1.1152(9) 0.241(9) Uani 1 1 d D U . . .
H36A H 0.4834 -0.1892 1.1508 0.361 Uiso 1 1 calc R U . . .
H36B H 0.4497 -0.1213 1.1215 0.361 Uiso 1 1 calc R U . . .
H36C H 0.5157 -0.1676 1.0833 0.361 Uiso 1 1 calc R U . . .
C37 C 0.3573(10) -0.1978(7) 1.1589(5) 0.261(11) Uani 1 1 d . U . . .
H37A H 0.3853 -0.2341 1.1811 0.392 Uiso 1 1 calc R U . . .
H37B H 0.3133 -0.2053 1.1511 0.392 Uiso 1 1 calc R U . . .
H37C H 0.3389 -0.1647 1.1813 0.392 Uiso 1 1 calc R U . . .
C38 C 0.0559(3) 0.1618(2) 1.07408(19) 0.0504(10) Uani 1 1 d . . . . .
C39 C -0.0028(3) 0.2020(2) 1.1059(2) 0.0569(12) Uani 1 1 d . . . . .
H39 H -0.0025 0.1996 1.1454 0.068 Uiso 1 1 calc R U . . .
C40 C -0.0623(3) 0.2458(2) 1.0836(2) 0.0565(12) Uani 1 1 d . . . . .
C41 C -0.1228(4) 0.2893(3) 1.1218(2) 0.085(2) Uani 1 1 d D . . . .
C42 C -0.1499(5) 0.2553(4) 1.1823(3) 0.112(3) Uani 1 1 d . . . . .
H42A H -0.1944 0.2823 1.2043 0.168 Uiso 1 1 calc R U . . .
H42B H -0.1081 0.2409 1.2031 0.168 Uiso 1 1 calc R U . . .
H42C H -0.1645 0.2209 1.1783 0.168 Uiso 1 1 calc R U . . .
C43 C -0.0841(7) 0.3341(4) 1.1288(5) 0.145(4) Uani 1 1 d D U . . .
H43A H -0.0569 0.3500 1.0905 0.217 Uiso 1 1 calc R U . . .
H43B H -0.0474 0.3135 1.1537 0.217 Uiso 1 1 calc R U . . .
H43C H -0.1234 0.3673 1.1466 0.217 Uiso 1 1 calc R U . . .
C44 C -0.1881(5) 0.3248(4) 1.0931(3) 0.130(4) Uani 1 1 d . U . . .
H44A H -0.1684 0.3469 1.0554 0.196 Uiso 1 1 calc R U . . .
H44B H -0.2253 0.3533 1.1179 0.196 Uiso 1 1 calc R U . . .
H44C H -0.2134 0.2975 1.0873 0.196 Uiso 1 1 calc R U . . .
C45 C 0.2333(4) 0.0746(3) 0.5660(2) 0.0786(18) Uani 1 1 d . . . . .
C46 C 0.1851(3) 0.1343(3) 0.5669(2) 0.0620(13) Uani 1 1 d . . . . .
C47 C 0.2037(4) 0.1596(3) 0.6064(2) 0.0705(15) Uani 1 1 d . . . . .
C48 C 0.2668(4) 0.1155(5) 0.6278(3) 0.098(3) Uani 1 1 d . . . . .
C49 C 0.2823(4) 0.0631(4) 0.6047(3) 0.096(2) Uani 1 1 d . . . . .
C50 C 0.2311(7) 0.0327(5) 0.5313(4) 0.146(5) Uani 1 1 d . . . . .
H50A H 0.1814 0.0460 0.5203 0.220 Uiso 1 1 calc R U . . .
H50B H 0.2380 -0.0077 0.5543 0.220 Uiso 1 1 calc R U . . .
H50C H 0.2725 0.0320 0.4961 0.220 Uiso 1 1 calc R U . . .
C51 C 0.1227(5) 0.1649(4) 0.5334(3) 0.100(2) Uani 1 1 d . . . . .
H51A H 0.1420 0.1908 0.4984 0.150 Uiso 1 1 calc R U . . .
H51B H 0.0781 0.1894 0.5579 0.150 Uiso 1 1 calc R U . . .
H51C H 0.1074 0.1345 0.5223 0.150 Uiso 1 1 calc R U . . .
C52 C 0.1660(7) 0.2228(4) 0.6201(4) 0.141(4) Uani 1 1 d . U . . .
H52A H 0.1841 0.2515 0.5872 0.212 Uiso 1 1 calc R U . . .
H52B H 0.1794 0.2261 0.6550 0.212 Uiso 1 1 calc R U . . .
H52C H 0.1100 0.2316 0.6268 0.212 Uiso 1 1 calc R U . . .
C53 C 0.3026(6) 0.1265(7) 0.6709(4) 0.178(6) Uani 1 1 d . U . . .
H53A H 0.3472 0.0922 0.6772 0.267 Uiso 1 1 calc R U . . .
H53B H 0.2648 0.1311 0.7079 0.267 Uiso 1 1 calc R U . . .
H53C H 0.3192 0.1631 0.6557 0.267 Uiso 1 1 calc R U . . .
C54 C 0.3438(6) 0.0056(6) 0.6185(6) 0.228(9) Uani 1 1 d . U . . .
H54A H 0.3921 0.0058 0.5898 0.342 Uiso 1 1 calc R U . . .
H54B H 0.3275 -0.0290 0.6172 0.342 Uiso 1 1 calc R U . . .
H54C H 0.3514 0.0027 0.6574 0.342 Uiso 1 1 calc R U . . .
C55 C -0.2353(3) -0.0390(2) 0.65789(19) 0.0525(11) Uani 1 1 d . . . . .
C56 C -0.1863(3) -0.0980(2) 0.6578(2) 0.0540(11) Uani 1 1 d . . . . .
C57 C -0.2100(3) -0.1344(2) 0.7125(2) 0.0610(13) Uani 1 1 d . . . . .
C58 C -0.2781(3) -0.0969(3) 0.7450(2) 0.0585(12) Uani 1 1 d . . . . .
C59 C -0.2918(3) -0.0380(2) 0.7125(2) 0.0537(11) Uani 1 1 d . . . . .
C60 C -0.2309(4) 0.0140(3) 0.6110(2) 0.0668(14) Uani 1 1 d . . . . .
H60A H -0.1773 0.0096 0.5899 0.100 Uiso 1 1 calc R U . . .
H60B H -0.2505 0.0508 0.6283 0.100 Uiso 1 1 calc R U . . .
H60C H -0.2621 0.0163 0.5840 0.100 Uiso 1 1 calc R U . . .
C61 C -0.1166(4) -0.1199(3) 0.6114(2) 0.0717(15) Uani 1 1 d . . . . .
H61A H -0.1064 -0.0856 0.5820 0.108 Uiso 1 1 calc R U . . .
H61B H -0.1260 -0.1482 0.5929 0.108 Uiso 1 1 calc R U . . .
H61C H -0.0721 -0.1400 0.6289 0.108 Uiso 1 1 calc R U . . .
C62 C -0.1735(5) -0.2000(3) 0.7283(3) 0.0846(19) Uani 1 1 d . . . . .
H62A H -0.1867 -0.2225 0.7058 0.127 Uiso 1 1 calc R U . . .
H62B H -0.1922 -0.2128 0.7699 0.127 Uiso 1 1 calc R U . . .
H62C H -0.1175 -0.2077 0.7197 0.127 Uiso 1 1 calc R U . . .
C63 C -0.3236(4) -0.1173(4) 0.8029(3) 0.0837(19) Uani 1 1 d . . . . .
H63A H -0.3505 -0.0830 0.8236 0.125 Uiso 1 1 calc R U . . .
H63B H -0.2889 -0.1478 0.8256 0.125 Uiso 1 1 calc R U . . .
H63C H -0.3612 -0.1345 0.7977 0.125 Uiso 1 1 calc R U . . .
C64 C -0.3553(3) 0.0152(3) 0.7288(3) 0.0785(17) Uani 1 1 d . . . . .
H64A H -0.3961 0.0213 0.7086 0.118 Uiso 1 1 calc R U . . .
H64B H -0.3361 0.0507 0.7176 0.118 Uiso 1 1 calc R U . . .
H64C H -0.3759 0.0088 0.7709 0.118 Uiso 1 1 calc R U . . .
Cu3 Cu 0.8351(4) 0.4455(3) 0.4626(2) 0.0551(9) Uani 0.594(16) 1 d . U P B 1
O17 O 0.8845(8) 0.3904(6) 0.5210(6) 0.059(3) Uani 0.594(16) 1 d . U P B 1
O21 O 0.8850(7) 0.3826(6) 0.4166(6) 0.073(3) Uani 0.594(16) 1 d . U P B 1
Cu4 Cu 0.4756(6) 0.6986(8) 0.4717(5) 0.058(2) Uani 0.43(3) 1 d . U P C 1
O23 O 0.5390(9) 0.6453(8) 0.4178(6) 0.044(3) Uani 0.43(3) 1 d . U P C 1
O24 O 0.3994(11) 0.7330(9) 0.4245(9) 0.047(3) Uani 0.43(3) 1 d . U P C 1
Cu3' Cu 0.8209(6) 0.4305(5) 0.4662(4) 0.0609(16) Uani 0.406(16) 1 d . U P B 2
O17' O 0.8672(14) 0.3737(10) 0.5282(10) 0.077(6) Uani 0.406(16) 1 d . U P B 2
O21' O 0.8585(10) 0.3664(8) 0.4229(7) 0.069(5) Uani 0.406(16) 1 d . U P B 2
Cu4' Cu 0.4939(7) 0.7128(3) 0.4613(3) 0.0597(13) Uani 0.57(3) 1 d . U P C 2
O23' O 0.5616(9) 0.6632(7) 0.4052(5) 0.052(3) Uani 0.57(3) 1 d . U P C 2
O24' O 0.4189(11) 0.7467(8) 0.4156(8) 0.063(4) Uani 0.57(3) 1 d . U P C 2
C65 C 0.5112(2) 0.56205(19) 0.79157(16) 0.0404(9) Uani 1 1 d . . . . .
C66 C 0.5698(2) 0.50028(19) 0.79368(17) 0.0403(8) Uani 1 1 d . . . . .
C67 C 0.5436(3) 0.4491(2) 0.8061(2) 0.0470(10) Uani 1 1 d . . . . .
C68 C 0.4653(2) 0.45435(19) 0.81874(17) 0.0398(8) Uani 1 1 d . . . . .
C69 C 0.4081(2) 0.51610(18) 0.81341(16) 0.0388(8) Uani 1 1 d . . . . .
C70 C 0.4343(2) 0.56727(19) 0.79724(18) 0.0436(9) Uani 1 1 d . . . . .
C71 C 0.7117(3) 0.5448(2) 0.65445(18) 0.0500(10) Uani 1 1 d . . . . .
H71 H 0.7494 0.5161 0.6734 0.060 Uiso 1 1 calc R U . . .
C72 C 0.7116(3) 0.5401(2) 0.59904(19) 0.0533(11) Uani 1 1 d . . . . .
C73 C 0.6577(3) 0.5822(2) 0.57132(18) 0.0486(10) Uani 1 1 d . . . . .
H73 H 0.6577 0.5804 0.5327 0.058 Uiso 1 1 calc R U . . .
C74 C 0.6037(3) 0.6273(2) 0.59959(19) 0.0487(10) Uani 1 1 d . . . . .
C75 C 0.6065(3) 0.6296(2) 0.65536(18) 0.0481(10) Uani 1 1 d . . . . .
H75 H 0.5699 0.6607 0.6751 0.058 Uiso 1 1 calc R U . . .
C76 C 0.7691(3) 0.4899(3) 0.5687(2) 0.0616(14) Uani 1 1 d . . . . .
C77 C 0.8099(4) 0.4396(3) 0.5999(2) 0.084(2) Uani 1 1 d . . . . .
H77 H 0.8001 0.4379 0.6407 0.101 Uiso 1 1 calc R U . . .
C78 C 0.8646(4) 0.3909(3) 0.5761(2) 0.090(2) Uani 1 1 d D . . . .
C79 C 0.9019(9) 0.3322(7) 0.6162(6) 0.082(5) Uani 0.594(16) 1 d D U P B 1
C80 C 0.9371(14) 0.2784(9) 0.5858(8) 0.146(10) Uani 0.594(16) 1 d D U P B 1
H80A H 0.9733 0.2881 0.5495 0.220 Uiso 0.594(16) 1 calc R U P B 1
H80B H 0.8965 0.2672 0.5770 0.220 Uiso 0.594(16) 1 calc R U P B 1
H80C H 0.9646 0.2447 0.6110 0.220 Uiso 0.594(16) 1 calc R U P B 1
C81 C 0.8487(10) 0.3163(7) 0.6712(6) 0.139(9) Uani 0.594(16) 1 d D U P B 1
H81A H 0.7980 0.3229 0.6637 0.209 Uiso 0.594(16) 1 calc R U P B 1
H81B H 0.8441 0.3415 0.6992 0.209 Uiso 0.594(16) 1 calc R U P B 1
H81C H 0.8688 0.2739 0.6872 0.209 Uiso 0.594(16) 1 calc R U P B 1
C82 C 0.9610(12) 0.3544(8) 0.6297(13) 0.168(11) Uani 0.594(16) 1 d D U P B 1
H82A H 0.9754 0.3305 0.6658 0.252 Uiso 0.594(16) 1 calc R U P B 1
H82B H 0.9390 0.3968 0.6344 0.252 Uiso 0.594(16) 1 calc R U P B 1
H82C H 1.0068 0.3502 0.5977 0.252 Uiso 0.594(16) 1 calc R U P B 1
C79' C 0.9227(11) 0.3488(9) 0.6106(8) 0.087(8) Uani 0.406(16) 1 d D U P B 2
C80' C 1.0047(10) 0.3518(11) 0.5828(9) 0.110(8) Uani 0.406(16) 1 d D U P B 2
H80D H 1.0189 0.3433 0.5430 0.165 Uiso 0.406(16) 1 calc R U P B 2
H80E H 1.0399 0.3219 0.6055 0.165 Uiso 0.406(16) 1 calc R U P B 2
H80F H 1.0082 0.3920 0.5821 0.165 Uiso 0.406(16) 1 calc R U P B 2
C81' C 0.9053(14) 0.3558(11) 0.6738(6) 0.119(9) Uani 0.406(16) 1 d D U P B 2
H81D H 0.9375 0.3210 0.6947 0.178 Uiso 0.406(16) 1 calc R U P B 2
H81E H 0.8509 0.3586 0.6914 0.178 Uiso 0.406(16) 1 calc R U P B 2
H81F H 0.9161 0.3925 0.6762 0.178 Uiso 0.406(16) 1 calc R U P B 2
C82' C 0.9173(16) 0.2861(9) 0.6097(12) 0.117(11) Uani 0.406(16) 1 d D U P B 2
H82D H 0.9185 0.2828 0.5700 0.176 Uiso 0.406(16) 1 calc R U P B 2
H82E H 0.8691 0.2802 0.6356 0.176 Uiso 0.406(16) 1 calc R U P B 2
H82F H 0.9609 0.2552 0.6230 0.176 Uiso 0.406(16) 1 calc R U P B 2
C83 C 0.5429(3) 0.6707(2) 0.56883(19) 0.0512(11) Uani 1 1 d . . . . .
C84 C 0.4805(3) 0.7114(3) 0.5982(2) 0.0698(16) Uani 1 1 d . . . . .
H84 H 0.4780 0.7119 0.6377 0.084 Uiso 1 1 calc R U . . .
C85 C 0.4221(4) 0.7512(3) 0.5728(2) 0.0691(15) Uani 1 1 d D . . . .
C86 C 0.3552(5) 0.7948(3) 0.6080(3) 0.105(3) Uani 1 1 d D U . . .
C87 C 0.3010(5) 0.8371(4) 0.5723(3) 0.120(3) Uani 1 1 d . U . . .
H87A H 0.2679 0.8703 0.5932 0.180 Uiso 1 1 calc R U . . .
H87B H 0.2690 0.8157 0.5651 0.180 Uiso 1 1 calc R U . . .
H87C H 0.3303 0.8532 0.5350 0.180 Uiso 1 1 calc R U . . .
C88 C 0.3155(7) 0.7592(6) 0.6610(4) 0.203(8) Uani 1 1 d . U . . .
H88A H 0.2800 0.7865 0.6876 0.305 Uiso 1 1 calc R U . . .
H88B H 0.3541 0.7295 0.6808 0.305 Uiso 1 1 calc R U . . .
H88C H 0.2868 0.7385 0.6490 0.305 Uiso 1 1 calc R U . . .
C89 C 0.3885(8) 0.8342(6) 0.6299(6) 0.204(7) Uani 1 1 d D U . . .
H89A H 0.4316 0.8441 0.5998 0.306 Uiso 1 1 calc R U . . .
H89B H 0.4064 0.8121 0.6652 0.306 Uiso 1 1 calc R U . . .
H89C H 0.3484 0.8713 0.6386 0.306 Uiso 1 1 calc R U . . .
C90 C 0.7129(2) 0.5215(2) 0.27348(17) 0.0440(9) Uani 1 1 d . . . . .
H90 H 0.7511 0.4914 0.2533 0.053 Uiso 1 1 calc R U . . .
C91 C 0.7097(3) 0.5188(2) 0.33148(18) 0.0473(10) Uani 1 1 d . . . . .
C92 C 0.6524(3) 0.5625(2) 0.36035(18) 0.0510(11) Uani 1 1 d . . . . .
H92 H 0.6490 0.5627 0.4001 0.061 Uiso 1 1 calc R U . . .
C93 C 0.6001(3) 0.6057(2) 0.33123(18) 0.0480(10) Uani 1 1 d . . . . .
C94 C 0.6085(3) 0.6058(2) 0.27297(18) 0.0444(9) Uani 1 1 d . . . . .
H94 H 0.5737 0.6360 0.2525 0.053 Uiso 1 1 calc R U . . .
C95 C 0.7655(3) 0.4723(2) 0.36427(18) 0.0569(13) Uani 1 1 d . . . . .
C96 C 0.8061(4) 0.4182(3) 0.3452(2) 0.085(2) Uani 1 1 d . U . . .
H96 H 0.7972 0.4107 0.3114 0.102 Uiso 1 1 calc R U . . .
C97 C 0.8596(5) 0.3740(4) 0.3735(3) 0.113(3) Uani 1 1 d . U . . .
C98 C 0.8976(8) 0.3120(5) 0.3528(4) 0.164(5) Uani 1 1 d D U . . .
C99 C 0.8760(12) 0.2604(7) 0.4029(7) 0.275(11) Uani 1 1 d D U . . .
H99A H 0.8265 0.2564 0.4018 0.412 Uiso 1 1 calc R U . . .
H99B H 0.8723 0.2704 0.4406 0.412 Uiso 1 1 calc R U . . .
H99C H 0.9159 0.2224 0.3974 0.412 Uiso 1 1 calc R U . . .
C100 C 0.8795(10) 0.3066(7) 0.3014(6) 0.257(9) Uani 1 1 d D U . . .
H10A H 0.9061 0.2661 0.2920 0.385 Uiso 1 1 calc R U . . .
H10B H 0.8238 0.3137 0.3079 0.385 Uiso 1 1 calc R U . . .
H10C H 0.8962 0.3363 0.2690 0.385 Uiso 1 1 calc R U . . .
C101 C 0.9870(9) 0.2968(9) 0.3526(9) 0.287(10) Uani 1 1 d D U . . .
H10D H 1.0135 0.2557 0.3450 0.430 Uiso 1 1 calc R U . . .
H10E H 0.9921 0.3005 0.3905 0.430 Uiso 1 1 calc R U . . .
H10F H 1.0101 0.3250 0.3221 0.430 Uiso 1 1 calc R U . . .
C102 C 0.5369(3) 0.6515(2) 0.3648(2) 0.0594(13) Uani 1 1 d . . . . .
C103 C 0.4707(3) 0.6830(2) 0.34469(19) 0.0570(12) Uani 1 1 d . . . . .
H103 H 0.4666 0.6757 0.3091 0.068 Uiso 1 1 calc R U . . .
C104 C 0.4091(3) 0.7254(2) 0.3741(2) 0.0649(14) Uani 1 1 d . . . . .
C105 C 0.3363(4) 0.7582(3) 0.3504(2) 0.0756(17) Uani 1 1 d . . . . .
C106 C 0.3241(5) 0.7268(3) 0.3087(3) 0.100(3) Uani 1 1 d . . . . .
H10G H 0.3304 0.6842 0.3252 0.150 Uiso 1 1 calc R U . . .
H10H H 0.3619 0.7304 0.2718 0.150 Uiso 1 1 calc R U . . .
H10I H 0.2721 0.7453 0.3018 0.150 Uiso 1 1 calc R U . . .
C107 C 0.2670(5) 0.7648(5) 0.4008(4) 0.121(3) Uani 1 1 d . . . . .
H10J H 0.2199 0.7828 0.3859 0.182 Uiso 1 1 calc R U . . .
H10K H 0.2699 0.7907 0.4254 0.182 Uiso 1 1 calc R U . . .
H10L H 0.2661 0.7251 0.4239 0.182 Uiso 1 1 calc R U . . .
C108 C 0.3435(5) 0.8213(4) 0.3214(4) 0.117(3) Uani 1 1 d . . . . .
H10M H 0.2990 0.8436 0.3043 0.175 Uiso 1 1 calc R U . . .
H10N H 0.3908 0.8179 0.2908 0.175 Uiso 1 1 calc R U . . .
H10O H 0.3454 0.8425 0.3506 0.175 Uiso 1 1 calc R U . . .
C109 C 0.2272(3) 0.3882(3) 0.8697(2) 0.0613(13) Uani 1 1 d . . . . .
C110 C 0.2885(3) 0.3536(2) 0.8982(2) 0.0605(12) Uani 1 1 d . . . . .
C111 C 0.2937(3) 0.3903(3) 0.9355(2) 0.0629(13) Uani 1 1 d . . . . .
C112 C 0.2373(3) 0.4463(3) 0.9285(2) 0.0643(14) Uani 1 1 d . . . . .
C113 C 0.1988(3) 0.4450(3) 0.8869(2) 0.0591(12) Uani 1 1 d . . . . .
C114 C 0.2031(5) 0.3668(4) 0.8269(3) 0.094(2) Uani 1 1 d . . . . .
H11A H 0.1857 0.3310 0.8458 0.141 Uiso 1 1 calc R U . . .
H11B H 0.2468 0.3569 0.7941 0.141 Uiso 1 1 calc R U . . .
H11C H 0.1610 0.3986 0.8127 0.141 Uiso 1 1 calc R U . . .
C115 C 0.3388(5) 0.2907(3) 0.8939(4) 0.113(3) Uani 1 1 d . . . . .
H11D H 0.3923 0.2892 0.8902 0.169 Uiso 1 1 calc R U . . .
H11E H 0.3344 0.2782 0.8596 0.169 Uiso 1 1 calc R U . . .
H11F H 0.3223 0.2634 0.9289 0.169 Uiso 1 1 calc R U . . .
C116 C 0.3489(5) 0.3734(4) 0.9739(3) 0.095(2) Uani 1 1 d . . . . .
H11G H 0.3434 0.4082 0.9911 0.142 Uiso 1 1 calc R U . . .
H11H H 0.4016 0.3605 0.9510 0.142 Uiso 1 1 calc R U . . .
H11I H 0.3383 0.3405 1.0049 0.142 Uiso 1 1 calc R U . . .
C117 C 0.2214(5) 0.4982(3) 0.9574(3) 0.090(2) Uani 1 1 d . . . . .
H11J H 0.1765 0.4988 0.9899 0.135 Uiso 1 1 calc R U . . .
H11K H 0.2108 0.5354 0.9294 0.135 Uiso 1 1 calc R U . . .
H11L H 0.2661 0.4950 0.9719 0.135 Uiso 1 1 calc R U . . .
C118 C 0.1314(4) 0.4941(4) 0.8673(3) 0.105(3) Uani 1 1 d . . . . .
H11M H 0.1227 0.4853 0.8329 0.157 Uiso 1 1 calc R U . . .
H11N H 0.1430 0.5329 0.8578 0.157 Uiso 1 1 calc R U . . .
H11O H 0.0851 0.4959 0.8987 0.157 Uiso 1 1 calc R U . . .
C119 C 0.7156(3) 0.5610(2) 0.84208(19) 0.0529(11) Uani 1 1 d . . . . .
C120 C 0.7708(3) 0.5616(3) 0.7871(2) 0.0566(12) Uani 1 1 d . . . . .
C121 C 0.7540(3) 0.6212(3) 0.7560(2) 0.0626(14) Uani 1 1 d . . . . .
C122 C 0.6853(3) 0.6574(2) 0.7890(2) 0.0563(12) Uani 1 1 d . . . . .
C123 C 0.6628(3) 0.6199(2) 0.84340(19) 0.0544(11) Uani 1 1 d . . . . .
C124 C 0.7129(3) 0.5080(3) 0.8879(2) 0.0663(14) Uani 1 1 d . . . . .
H12A H 0.7518 0.5013 0.9101 0.099 Uiso 1 1 calc R U . . .
H12B H 0.7235 0.4726 0.8700 0.099 Uiso 1 1 calc R U . . .
H12C H 0.6618 0.5150 0.9140 0.099 Uiso 1 1 calc R U . . .
C125 C 0.8360(3) 0.5093(3) 0.7692(3) 0.0798(18) Uani 1 1 d . . . . .
H12D H 0.8567 0.5173 0.7271 0.120 Uiso 1 1 calc R U . . .
H12E H 0.8179 0.4733 0.7788 0.120 Uiso 1 1 calc R U . . .
H12F H 0.8765 0.5028 0.7898 0.120 Uiso 1 1 calc R U . . .
C126 C 0.7985(4) 0.6428(4) 0.6970(3) 0.088(2) Uani 1 1 d . . . . .
H12G H 0.8385 0.6578 0.7017 0.133 Uiso 1 1 calc R U . . .
H12H H 0.7634 0.6752 0.6761 0.133 Uiso 1 1 calc R U . . .
H12I H 0.8224 0.6094 0.6748 0.133 Uiso 1 1 calc R U . . .
C127 C 0.6484(5) 0.7221(3) 0.7738(3) 0.0855(19) Uani 1 1 d . . . . .
H12J H 0.6643 0.7449 0.7943 0.128 Uiso 1 1 calc R U . . .
H12K H 0.5924 0.7298 0.7851 0.128 Uiso 1 1 calc R U . . .
H12L H 0.6640 0.7346 0.7317 0.128 Uiso 1 1 calc R U . . .
C128 C 0.5954(3) 0.6389(3) 0.8904(2) 0.0661(14) Uani 1 1 d . . . . .
H12M H 0.5859 0.6035 0.9182 0.099 Uiso 1 1 calc R U . . .
H12N H 0.5502 0.6602 0.8738 0.099 Uiso 1 1 calc R U . . .
H12O H 0.6052 0.6658 0.9104 0.099 Uiso 1 1 calc R U . . .
C129 C 0.6083(8) 0.4116(6) 0.0348(6) 0.102(6) Uani 0.5 1 d . U P . .
C130 C 0.9346(7) 0.1046(6) 0.5269(5) 0.105(6) Uani 0.5 1 d D U P . .
C133 C 0.0710(8) -0.0031(6) 1.0163(6) 0.082(4) Uani 0.5 1 d . . P . .
C134 C 0.0065(9) 0.0476(7) 1.0315(7) 0.089(4) Uani 0.5 1 d D . P . .
C135 C -0.0306(8) 0.0670(6) 0.9846(7) 0.086(4) Uani 0.5 1 d D . P . .
C136 C 0.0114(10) 0.0308(7) 0.9424(7) 0.093(4) Uani 0.5 1 d . . P . .
C137 C 0.0700(9) -0.0130(6) 0.9615(7) 0.086(4) Uani 0.5 1 d . . P . .
C138 C 0.0992(11) -0.0485(10) 1.0568(9) 0.110(6) Uani 0.5 1 d D . P . .
C139 C 0.0735(16) -0.0393(11) 1.1162(9) 0.099(6) Uani 0.5 1 d D U P . .
C140 C 0.0081(17) 0.0076(14) 1.1288(16) 0.113(9) Uani 0.5 1 d D U P . .
C141 C -0.0286(11) 0.0524(11) 1.0882(14) 0.125(10) Uani 0.5 1 d D . P . .
C142 C -0.1038(13) 0.0927(12) 1.0936(14) 0.118(8) Uani 0.5 1 d D U P . .
C143 C -0.1397(19) 0.1164(14) 1.0471(12) 0.122(10) Uani 0.5 1 d D U P . .
C144 C -0.1074(11) 0.0995(8) 0.9911(10) 0.104(6) Uani 0.5 1 d D . P . .
C145 C -0.1408(13) 0.0990(11) 0.9446(11) 0.102(7) Uani 0.5 1 d D U P . .
C146 C -0.0985(13) 0.0641(10) 0.8983(11) 0.109(7) Uani 0.5 1 d D U P . .
C147 C -0.0233(11) 0.0232(9) 0.8974(8) 0.096(5) Uani 0.5 1 d D . P . .
C148 C 0.0177(15) -0.0276(12) 0.8707(11) 0.087(6) Uani 0.5 1 d D U P . .
C149 C 0.075(2) -0.0686(14) 0.8945(12) 0.123(9) Uani 0.5 1 d D U P . .
C150 C 0.1018(11) -0.0664(9) 0.9422(7) 0.107(5) Uani 0.5 1 d D . P . .
C151 C 0.1506(11) -0.1120(10) 0.9754(12) 0.098(6) Uani 0.5 1 d D U P . .
C152 C 0.140(2) -0.1031(15) 1.0319(14) 0.139(12) Uani 0.5 1 d D U P . .
C153 C 0.5082(9) 0.5266(7) 0.4416(6) 0.089(4) Uani 0.5 1 d D . P . .
C154 C 0.5688(8) 0.4868(5) 0.4636(6) 0.080(4) Uani 0.5 1 d D . P . .
C155 C 0.5646(8) 0.4999(6) 0.5190(6) 0.083(4) Uani 0.5 1 d D . P . .
C156 C 0.4974(10) 0.5501(7) 0.5297(7) 0.101(5) Uani 0.5 1 d D . P . .
C157 C 0.4620(9) 0.5653(6) 0.4810(7) 0.089(4) Uani 0.5 1 d D . P . .
C158 C 0.4783(12) 0.5134(9) 0.3981(8) 0.095(5) Uani 0.5 1 d D . P . .
C159 C 0.5248(19) 0.4627(14) 0.3758(15) 0.106(8) Uani 0.5 1 d D U P . .
C160 C 0.587(2) 0.4205(17) 0.3986(14) 0.142(12) Uani 0.5 1 d D U P . .
C161 C 0.6044(10) 0.4339(8) 0.4460(7) 0.094(4) Uani 0.5 1 d D . P . .
C162 C 0.6546(16) 0.3889(13) 0.4857(14) 0.111(7) Uani 0.5 1 d D U P . .
C163 C 0.653(2) 0.4069(17) 0.5377(17) 0.186(19) Uani 0.5 1 d D U P . .
C164 C 0.5942(11) 0.4562(9) 0.5621(9) 0.115(7) Uani 0.5 1 d D . P . .
C165 C 0.5643(16) 0.4705(13) 0.6196(10) 0.107(7) Uani 0.5 1 d D U P . .
C166 C 0.4969(19) 0.5183(16) 0.6295(14) 0.113(9) Uani 0.5 1 d D U P . .
C167 C 0.4581(12) 0.5563(9) 0.5882(11) 0.106(7) Uani 0.5 1 d D . P . .
C168 C 0.3834(13) 0.5935(12) 0.5893(14) 0.117(8) Uani 0.5 1 d D U P . .
C169 C 0.352(2) 0.612(2) 0.5383(13) 0.154(14) Uani 0.5 1 d D U P . .
C170 C 0.3848(11) 0.5937(7) 0.4835(9) 0.105(7) Uani 0.5 1 d D . P . .
C171 C 0.3571(13) 0.5886(9) 0.4410(10) 0.100(6) Uani 0.5 1 d D U P . .
C172 C 0.4043(15) 0.5504(11) 0.3967(13) 0.114(8) Uani 0.5 1 d D U P . .
C174 C 0.1073(8) 0.2926(7) 0.9748(5) 0.188(6) Uani 1 1 d D . . . .
H17D H 0.1175 0.3319 0.9601 0.282 Uiso 1 1 calc R U . . .
H17E H 0.1556 0.2616 0.9788 0.282 Uiso 1 1 calc R U . . .
H17F H 0.0713 0.2937 1.0128 0.282 Uiso 1 1 calc R U . . .
O13 O 0.53862(17) 0.60628(13) 0.78302(12) 0.0428(6) Uani 1 1 d . . . . .
O14 O 0.63855(17) 0.49941(14) 0.78347(13) 0.0462(7) Uani 1 1 d . . . . .
O15 O 0.43794(17) 0.40982(13) 0.83228(13) 0.0440(6) Uani 1 1 d . . . . .
O16 O 0.33879(16) 0.51727(13) 0.82325(12) 0.0420(6) Uani 1 1 d . . . . .
O18 O 0.7720(2) 0.49813(18) 0.51441(13) 0.0639(10) Uani 1 1 d . . . . .
O19 O 0.5537(3) 0.66443(19) 0.51754(16) 0.0783(13) Uani 1 1 d . . . . .
O20 O 0.4150(3) 0.7538(2) 0.52311(17) 0.0815(13) Uani 1 1 d . . . . .
O22 O 0.7698(2) 0.48776(17) 0.40905(14) 0.0615(9) Uani 1 1 d . . . . .
O25 O 0.4754(4) 0.4755(4) 0.0800(3) 0.0653(18) Uani 0.5 1 d . U P . .
O26 O 0.5943(4) 0.4953(4) 0.0586(3) 0.0597(17) Uani 0.5 1 d . U P . .
O27 O 0.5344(5) 0.5094(4) -0.0181(4) 0.076(2) Uani 0.5 1 d . U P . .
O28 O 0.9571(5) -0.0041(4) 0.5799(3) 0.074(2) Uani 0.5 1 d . U P . .
O29 O 1.0323(6) 0.0142(4) 0.4816(4) 0.083(2) Uani 0.5 1 d . U P . .
O30 O 1.0346(6) 0.0571(4) 0.5597(3) 0.090(3) Uani 0.5 1 d . U P . .
O37 O 0.4347(4) -0.0353(4) 0.9134(3) 0.140(2) Uani 1 1 d . . . . .
O38 O 0.0743(4) 0.2789(3) 0.9345(3) 0.125(2) Uani 1 1 d D . . . .
O39 O 0.9333(4) 0.4831(5) 0.4246(3) 0.169(3) Uani 1 1 d . U . . .
O40 O 0.5516(6) 0.7827(4) 0.4267(3) 0.167(3) Uani 1 1 d . . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 C49 2.101(6) . ?
Rh1 C47 2.111(6) . ?
Rh1 O2 2.119(3) . ?
Rh1 O1 2.120(3) . ?
Rh1 N1 2.122(3) . ?
Rh1 C48 2.133(6) . ?
Rh1 C45 2.136(5) . ?
Rh1 C46 2.143(5) . ?
Rh2 O3 2.106(3) . ?
Rh2 C57 2.119(5) . ?
Rh2 N2 2.122(3) 2_557 ?
Rh2 C59 2.123(5) . ?
Rh2 O4 2.136(3) . ?
Rh2 C55 2.144(4) . ?
Rh2 C56 2.151(4) . ?
Rh2 C58 2.153(5) . ?
Rh3 O13 2.117(3) . ?
Rh3 C120 2.118(5) . ?
Rh3 N3 2.120(3) . ?
Rh3 O14 2.122(3) . ?
Rh3 C122 2.132(5) . ?
Rh3 C121 2.148(5) . ?
Rh3 C119 2.151(4) . ?
Rh3 C123 2.160(4) . ?
Rh4 O15 2.113(3) . ?
Rh4 C113 2.118(5) . ?
Rh4 N4 2.119(3) 2_666 ?
Rh4 C110 2.121(5) . ?
Rh4 O16 2.128(3) . ?
Rh4 C111 2.139(5) . ?
Rh4 C109 2.146(5) . ?
Rh4 C112 2.155(5) . ?
Cl1 C3 1.729(4) . ?
Cl2 C6 1.724(4) . ?
Cl3 C67 1.725(4) . ?
Cl4 C70 1.728(4) . ?
N1 C7 1.336(6) . ?
N1 C11 1.342(6) . ?
N2 C26 1.341(6) . ?
N2 C30 1.344(6) . ?
N2 Rh2 2.122(3) 2_557 ?
N3 C71 1.342(6) . ?
N3 C75 1.353(6) . ?
N4 C90 1.337(5) . ?
N4 C94 1.340(5) . ?
N4 Rh4 2.119(3) 2_666 ?
O1 C1 1.262(5) . ?
O2 C2 1.252(5) . ?
O3 C4 1.258(5) . ?
O4 C5 1.250(5) . ?
S1 O26 1.286(7) . ?
S1 O27 1.436(8) . ?
S1 O25 1.443(8) . ?
S1 O27 1.671(9) 2_665 ?
S1 C129 1.726(12) . ?
S2 O30 1.269(8) . ?
S2 O28 1.434(8) . ?
S2 O29 1.448(9) . ?
S2 O29 1.659(9) 2_756 ?
S2 C130 1.762(12) . ?
F1 C129 1.57(2) . ?
F2 C129 1.262(14) . ?
F3 C129 1.231(14) . ?
F4 C130 1.312(12) . ?
F5 C130 1.433(15) . ?
F6 C130 1.222(13) . ?
Cu1 O6 1.88(4) . ?
Cu1 O5 1.89(3) . ?
Cu1 O9 1.907(17) . ?
Cu1 O10 1.93(5) . ?
Cu1 O37 2.262(12) . ?
Cu2 O8 1.910(10) . ?
Cu2 O7 1.924(9) . ?
Cu2 O12 1.94(2) . ?
Cu2 O11 1.942(16) . ?
Cu2 O38 2.125(14) . ?
O5 C14 1.35(3) . ?
O6 C12 1.32(4) . ?
O7 C19 1.344(11) . ?
O8 C21 1.345(12) . ?
O9 C33 1.311(17) . ?
O10 C31 1.27(5) . ?
O11 C38 1.323(16) . ?
O12 C40 1.28(2) . ?
Cu1' O10' 1.92(5) . ?
Cu1' O6' 1.94(4) . ?
Cu1' O5' 1.96(2) . ?
Cu1' O9' 1.971(18) . ?
Cu1' O37 2.392(12) . ?
Cu2' O12' 1.90(2) . ?
Cu2' O7' 1.906(10) . ?
Cu2' O11' 1.924(15) . ?
Cu2' O8' 1.972(11) . ?
O5' C14 1.22(2) . ?
O6' C12 1.24(5) . ?
O7' C19 1.278(11) . ?
O8' C21 1.223(13) . ?
O9' C33 1.239(19) . ?
O10' C31 1.25(5) . ?
O11' C38 1.240(17) . ?
O12' C40 1.23(2) . ?
C1 C6 1.388(6) . ?
C1 C2 1.528(6) . ?
C2 C3 1.380(6) . ?
C3 C4 1.391(6) . ?
C4 C5 1.527(5) . ?
C5 C6 1.401(6) . ?
C7 C8 1.376(6) . ?
C8 C9 1.383(7) . ?
C8 C12 1.501(6) . ?
C9 C10 1.393(7) . ?
C10 C11 1.385(6) . ?
C10 C19 1.499(7) . ?
C12 C13 1.358(7) . ?
C13 C14 1.416(7) . ?
C14 C15 1.518(9) . ?
C15 C18 1.410(13) . ?
C15 C16 1.470(14) . ?
C15 C17 1.547(14) . ?
C19 C20 1.385(8) . ?
C20 C21 1.412(7) . ?
C21 C22 1.546(8) . ?
C22 C25 1.498(11) . ?
C22 C23 1.506(10) . ?
C22 C24 1.545(11) . ?
C26 C27 1.381(6) . ?
C27 C28 1.389(6) . ?
C27 C31 1.504(6) . ?
C28 C29 1.386(6) . ?
C29 C30 1.390(6) . ?
C29 C38 1.500(6) . ?
C31 C32 1.380(7) . ?
C32 C33 1.400(7) . ?
C33 C34 1.541(7) . ?
C34 C36 1.452(12) . ?
C34 C35 1.488(10) . ?
C34 C37 1.549(15) . ?
C38 C39 1.384(6) . ?
C39 C40 1.397(7) . ?
C40 C41 1.524(7) . ?
C41 C44 1.497(10) . ?
C41 C42 1.536(9) . ?
C41 C43 1.545(11) . ?
C45 C46 1.419(9) . ?
C45 C49 1.423(11) . ?
C45 C50 1.470(11) . ?
C46 C47 1.419(8) . ?
C46 C51 1.510(9) . ?
C47 C48 1.436(10) . ?
C47 C52 1.513(11) . ?
C48 C49 1.404(12) . ?
C48 C53 1.507(11) . ?
C49 C54 1.515(12) . ?
C55 C56 1.409(7) . ?
C55 C59 1.448(7) . ?
C55 C60 1.492(7) . ?
C56 C57 1.445(7) . ?
C56 C61 1.504(7) . ?
C57 C58 1.445(8) . ?
C57 C62 1.491(8) . ?
C58 C59 1.418(8) . ?
C58 C63 1.488(7) . ?
C59 C64 1.474(8) . ?
Cu3 O18 1.873(6) . ?
Cu3 O17 1.915(15) . ?
Cu3 O21 1.915(14) . ?
Cu3 O22 1.921(6) . ?
Cu3 O39 2.198(11) . ?
O17 C78 1.285(15) . ?
O21 C97 1.350(14) . ?
Cu4 O20 1.895(7) . ?
Cu4 O23 1.918(13) . ?
Cu4 O24 1.94(2) . ?
Cu4 O19 1.947(7) . ?
O23 C102 1.269(13) . ?
O24 C104 1.23(2) . ?
Cu3' O21' 1.895(17) . ?
Cu3' O22 1.926(9) . ?
Cu3' O17' 1.97(3) . ?
Cu3' O18 2.036(10) . ?
O17' C78 1.31(3) . ?
O21' C97 1.165(17) . ?
Cu4' O24' 1.898(17) . ?
Cu4' O23' 1.920(10) . ?
Cu4' O19 1.932(6) . ?
Cu4' O20 1.977(9) . ?
Cu4' O40 2.162(17) . ?
O23' C102 1.317(12) . ?
O24' C104 1.315(19) . ?
C65 O13 1.272(5) . ?
C65 C70 1.385(6) . ?
C65 C66 1.524(6) . ?
C66 O14 1.244(5) . ?
C66 C67 1.402(6) . ?
C67 C68 1.392(6) . ?
C68 O15 1.265(5) . ?
C68 C69 1.515(6) . ?
C69 O16 1.253(5) . ?
C69 C70 1.397(6) . ?
C71 C72 1.378(6) . ?
C72 C73 1.376(6) . ?
C72 C76 1.506(7) . ?
C73 C74 1.379(6) . ?
C74 C75 1.385(6) . ?
C74 C83 1.511(6) . ?
C76 O18 1.274(6) . ?
C76 C77 1.377(7) . ?
C77 C78 1.394(8) . ?
C78 C79' 1.520(16) . ?
C78 C79 1.579(17) . ?
C79 C81 1.478(15) . ?
C79 C80 1.502(16) . ?
C79 C82 1.522(16) . ?
C79' C81' 1.515(16) . ?
C79' C80' 1.521(17) . ?
C79' C82' 1.540(17) . ?
C83 O19 1.241(5) . ?
C83 C84 1.394(7) . ?
C84 C85 1.385(7) . ?
C85 O20 1.235(6) . ?
C85 C86 1.537(7) . ?
C86 C87 1.492(9) . ?
C86 C88 1.514(13) . ?
C86 C89 1.542(13) . ?
C90 C91 1.380(6) . ?
C91 C92 1.388(6) . ?
C91 C95 1.503(6) . ?
C92 C93 1.384(6) . ?
C93 C94 1.378(6) . ?
C93 C102 1.518(6) . ?
C95 O22 1.260(6) . ?
C95 C96 1.381(7) . ?
C96 C97 1.396(8) . ?
C97 C98 1.553(11) . ?
C98 C100 1.428(12) . ?
C98 C99 1.580(14) . ?
C98 C101 1.606(14) . ?
C102 C103 1.385(7) . ?
C103 C104 1.409(7) . ?
C104 C105 1.537(7) . ?
C105 C106 1.499(9) . ?
C105 C107 1.512(10) . ?
C105 C108 1.535(11) . ?
C109 C113 1.402(8) . ?
C109 C110 1.433(8) . ?
C109 C114 1.491(8) . ?
C110 C111 1.444(8) . ?
C110 C115 1.501(9) . ?
C111 C112 1.416(8) . ?
C111 C116 1.489(8) . ?
C112 C113 1.413(8) . ?
C112 C117 1.475(8) . ?
C113 C118 1.522(9) . ?
C119 C123 1.432(8) . ?
C119 C120 1.442(7) . ?
C119 C124 1.476(7) . ?
C120 C121 1.421(8) . ?
C120 C125 1.487(8) . ?
C121 C122 1.442(8) . ?
C121 C126 1.507(7) . ?
C122 C123 1.447(7) . ?
C122 C127 1.473(9) . ?
C123 C128 1.475(7) . ?
C133 C138 1.35(2) . ?
C133 C137 1.41(2) . ?
C133 C134 1.44(2) . ?
C133 C136 1.827(18) 2_557 ?
C133 C135 1.92(2) 2_557 ?
C134 C141 1.36(3) . ?
C134 C135 1.412(18) . ?
C134 C137 1.84(2) 2_557 ?
C134 C150 1.89(2) 2_557 ?
C134 C136 1.935(19) 2_557 ?
C135 C144 1.38(2) . ?
C135 C136 1.39(2) . ?
C135 C137 1.789(18) 2_557 ?
C135 C150 1.90(2) 2_557 ?
C135 C133 1.92(2) 2_557 ?
C136 C137 1.35(2) . ?
C136 C147 1.50(2) . ?
C136 C133 1.827(18) 2_557 ?
C136 C134 1.935(19) 2_557 ?
C136 C138 1.98(3) 2_557 ?
C137 C150 1.35(2) . ?
C137 C135 1.789(18) 2_557 ?
C137 C134 1.84(2) 2_557 ?
C138 C146 1.06(3) 2_557 ?
C138 C145 1.21(3) 2_557 ?
C138 C139 1.43(2) . ?
C138 C152 1.45(2) . ?
C138 C147 1.58(2) 2_557 ?
C138 C144 1.82(3) 2_557 ?
C138 C136 1.98(3) 2_557 ?
C139 C146 0.72(2) 2_557 ?
C139 C147 1.02(3) 2_557 ?
C139 C140 1.38(2) . ?
C139 C148 1.93(3) 2_557 ?
C140 C148 0.56(3) 2_557 ?
C140 C147 1.01(4) 2_557 ?
C140 C141 1.41(4) . ?
C140 C149 1.87(4) 2_557 ?
C141 C149 0.86(4) 2_557 ?
C141 C148 1.07(4) 2_557 ?
C141 C142 1.42(2) . ?
C141 C150 1.65(3) 2_557 ?
C141 C147 1.75(3) 2_557 ?
C142 C149 0.72(3) 2_557 ?
C142 C150 1.17(3) 2_557 ?
C142 C143 1.39(3) . ?
C142 C151 2.00(4) 2_557 ?
C143 C151 0.68(3) 2_557 ?
C143 C150 1.18(4) 2_557 ?
C143 C144 1.42(2) . ?
C143 C152 2.02(3) 2_557 ?
C143 C149 2.02(4) 2_557 ?
C144 C152 0.92(4) 2_557 ?
C144 C151 1.00(3) 2_557 ?
C144 C145 1.45(2) . ?
C144 C150 1.64(3) 2_557 ?
C144 C138 1.82(3) 2_557 ?
C145 C152 0.61(3) 2_557 ?
C145 C138 1.21(3) 2_557 ?
C145 C146 1.45(2) . ?
C145 C151 1.99(3) 2_557 ?
C146 C139 0.72(2) 2_557 ?
C146 C138 1.06(3) 2_557 ?
C146 C147 1.43(2) . ?
C146 C152 1.97(3) 2_557 ?
C147 C140 1.01(4) 2_557 ?
C147 C139 1.02(3) 2_557 ?
C147 C148 1.40(2) . ?
C147 C138 1.58(2) 2_557 ?
C147 C141 1.75(3) 2_557 ?
C148 C140 0.56(3) 2_557 ?
C148 C141 1.07(4) 2_557 ?
C148 C149 1.36(3) . ?
C148 C139 1.93(3) 2_557 ?
C149 C142 0.72(3) 2_557 ?
C149 C141 0.86(4) 2_557 ?
C149 C150 1.41(2) . ?
C149 C140 1.87(4) 2_557 ?
C149 C143 2.02(4) 2_557 ?
C150 C142 1.17(3) 2_557 ?
C150 C143 1.18(4) 2_557 ?
C150 C151 1.42(2) . ?
C150 C144 1.64(3) 2_557 ?
C150 C141 1.65(3) 2_557 ?
C150 C134 1.89(2) 2_557 ?
C150 C135 1.90(2) 2_557 ?
C151 C143 0.68(3) 2_557 ?
C151 C144 1.00(3) 2_557 ?
C151 C152 1.39(2) . ?
C151 C145 1.99(3) 2_557 ?
C151 C142 2.00(4) 2_557 ?
C152 C145 0.61(3) 2_557 ?
C152 C144 0.92(4) 2_557 ?
C152 C146 1.97(3) 2_557 ?
C152 C143 2.02(3) 2_557 ?
C153 C154 1.375(18) . ?
C153 C157 1.40(2) . ?
C153 C158 1.47(2) . ?
C153 C155 1.654(18) 2_666 ?
C153 C156 1.82(2) 2_666 ?
C153 C164 1.86(3) 2_666 ?
C154 C161 1.331(18) . ?
C154 C155 1.43(2) . ?
C154 C156 1.70(2) 2_666 ?
C154 C157 1.711(18) 2_666 ?
C155 C164 1.39(2) . ?
C155 C156 1.44(2) . ?
C155 C153 1.654(18) 2_666 ?
C155 C157 1.786(19) 2_666 ?
C155 C158 1.93(2) 2_666 ?
C156 C167 1.42(3) . ?
C156 C157 1.435(19) . ?
C156 C154 1.70(2) 2_666 ?
C156 C161 1.78(2) 2_666 ?
C156 C153 1.82(2) 2_666 ?
C157 C170 1.38(2) . ?
C157 C154 1.711(18) 2_666 ?
C157 C155 1.787(19) 2_666 ?
C157 C161 1.86(2) 2_666 ?
C157 C164 1.93(3) 2_666 ?
C158 C165 0.95(3) 2_666 ?
C158 C166 1.04(4) 2_666 ?
C158 C159 1.37(2) . ?
C158 C172 1.39(2) . ?
C158 C164 1.51(3) 2_666 ?
C158 C167 1.72(3) 2_666 ?
C158 C155 1.93(2) 2_666 ?
C159 C166 0.52(3) 2_666 ?
C159 C167 0.97(4) 2_666 ?
C159 C160 1.43(3) . ?
C159 C165 1.90(3) 2_666 ?
C160 C168 0.65(3) 2_666 ?
C160 C167 0.87(4) 2_666 ?
C160 C161 1.41(2) . ?
C160 C166 1.93(4) 2_666 ?
C160 C169 2.02(4) 2_666 ?
C161 C168 1.13(3) 2_666 ?
C161 C169 1.19(4) 2_666 ?
C161 C162 1.53(3) . ?
C161 C167 1.56(3) 2_666 ?
C161 C170 1.73(3) 2_666 ?
C161 C156 1.78(2) 2_666 ?
C161 C157 1.86(2) 2_666 ?
C162 C169 0.64(4) 2_666 ?
C162 C170 0.96(3) 2_666 ?
C162 C163 1.42(3) . ?
C162 C171 1.91(4) 2_666 ?
C163 C171 0.52(4) 2_666 ?
C163 C170 1.00(5) 2_666 ?
C163 C164 1.44(3) . ?
C163 C172 1.96(4) 2_666 ?
C164 C172 0.98(3) 2_666 ?
C164 C171 1.16(3) 2_666 ?
C164 C165 1.43(2) . ?
C164 C158 1.51(3) 2_666 ?
C164 C170 1.70(3) 2_666 ?
C164 C153 1.86(3) 2_666 ?
C164 C157 1.93(3) 2_666 ?
C165 C172 0.72(3) 2_666 ?
C165 C158 0.95(3) 2_666 ?
C165 C166 1.41(2) . ?
C165 C159 1.90(3) 2_666 ?
C166 C159 0.52(3) 2_666 ?
C166 C158 1.04(4) 2_666 ?
C166 C167 1.38(2) . ?
C166 C160 1.93(4) 2_666 ?
C167 C160 0.87(4) 2_666 ?
C167 C159 0.97(4) 2_666 ?
C167 C168 1.39(2) . ?
C167 C161 1.56(3) 2_666 ?
C167 C158 1.72(3) 2_666 ?
C168 C160 0.65(3) 2_666 ?
C168 C161 1.13(3) 2_666 ?
C168 C169 1.43(3) . ?
C169 C162 0.64(4) 2_666 ?
C169 C161 1.19(4) 2_666 ?
C169 C170 1.41(2) . ?
C169 C160 2.02(4) 2_666 ?
C170 C162 0.96(3) 2_666 ?
C170 C163 1.00(5) 2_666 ?
C170 C171 1.33(2) . ?
C170 C164 1.70(3) 2_666 ?
C170 C161 1.73(3) 2_666 ?
C171 C163 0.52(4) 2_666 ?
C171 C164 1.16(3) 2_666 ?
C171 C172 1.47(2) . ?
C171 C162 1.91(4) 2_666 ?
C172 C165 0.72(3) 2_666 ?
C172 C164 0.98(3) 2_666 ?
C172 C163 1.95(4) 2_666 ?
C174 O38 1.447(12) . ?
O25 O27 1.510(11) 2_665 ?
O27 O27 1.484(16) 2_665 ?
O27 O25 1.510(11) 2_665 ?
O27 S1 1.671(9) 2_665 ?
O28 O29 1.518(12) 2_756 ?
O29 O28 1.518(12) 2_756 ?
O29 O29 1.541(17) 2_756 ?
O29 S2 1.660(9) 2_756 ?

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
C49 Rh1 C47 66.1(3) . . ?
C49 Rh1 O2 102.9(3) . . ?
C47 Rh1 O2 162.20(18) . . ?
C49 Rh1 O1 160.6(3) . . ?
C47 Rh1 O1 108.9(2) . . ?
O2 Rh1 O1 76.69(11) . . ?
C49 Rh1 N1 115.0(3) . . ?
C47 Rh1 N1 111.06(19) . . ?
O2 Rh1 N1 86.04(13) . . ?
O1 Rh1 N1 84.31(13) . . ?
C49 Rh1 C48 38.7(3) . . ?
C47 Rh1 C48 39.6(3) . . ?
O2 Rh1 C48 137.4(3) . . ?
O1 Rh1 C48 145.9(3) . . ?
N1 Rh1 C48 95.6(2) . . ?
C49 Rh1 C45 39.2(3) . . ?
C47 Rh1 C45 65.6(2) . . ?
O2 Rh1 C45 96.9(2) . . ?
O1 Rh1 C45 121.4(2) . . ?
N1 Rh1 C45 154.1(2) . . ?
C48 Rh1 C45 65.1(3) . . ?
C49 Rh1 C46 65.4(3) . . ?
C47 Rh1 C46 39.0(2) . . ?
O2 Rh1 C46 124.55(18) . . ?
O1 Rh1 C46 98.54(17) . . ?
N1 Rh1 C46 149.23(19) . . ?
C48 Rh1 C46 65.1(2) . . ?
C45 Rh1 C46 38.7(2) . . ?
O3 Rh2 C57 107.76(18) . . ?
O3 Rh2 N2 85.13(13) . 2_557 ?
C57 Rh2 N2 113.46(17) . 2_557 ?
O3 Rh2 C59 159.50(15) . . ?
C57 Rh2 C59 66.1(2) . . ?
N2 Rh2 C59 115.35(16) 2_557 . ?
O3 Rh2 O4 76.57(11) . . ?
C57 Rh2 O4 162.20(16) . . ?
N2 Rh2 O4 83.87(13) 2_557 . ?
C59 Rh2 O4 103.65(16) . . ?
O3 Rh2 C55 119.87(15) . . ?
C57 Rh2 C55 65.9(2) . . ?
N2 Rh2 C55 154.56(17) 2_557 . ?
C59 Rh2 C55 39.67(18) . . ?
O4 Rh2 C55 96.79(15) . . ?
O3 Rh2 C56 97.07(16) . . ?
C57 Rh2 C56 39.55(18) . . ?
N2 Rh2 C56 152.25(17) 2_557 . ?
C59 Rh2 C56 65.4(2) . . ?
O4 Rh2 C56 123.64(15) . . ?
C55 Rh2 C56 38.3(2) . . ?
O3 Rh2 C58 145.00(18) . . ?
C57 Rh2 C58 39.5(2) . . ?
N2 Rh2 C58 97.27(17) 2_557 . ?
C59 Rh2 C58 38.7(2) . . ?
O4 Rh2 C58 138.42(18) . . ?
C55 Rh2 C58 65.51(19) . . ?
C56 Rh2 C58 65.46(19) . . ?
O13 Rh3 C120 161.93(16) . . ?
O13 Rh3 N3 84.30(12) . . ?
C120 Rh3 N3 113.76(17) . . ?
O13 Rh3 O14 76.59(11) . . ?
C120 Rh3 O14 103.41(17) . . ?
N3 Rh3 O14 85.01(13) . . ?
O13 Rh3 C122 107.42(17) . . ?
C120 Rh3 C122 66.4(2) . . ?
N3 Rh3 C122 115.14(17) . . ?
O14 Rh3 C122 159.56(15) . . ?
O13 Rh3 C121 143.77(19) . . ?
C120 Rh3 C121 38.9(2) . . ?
N3 Rh3 C121 97.63(17) . . ?
O14 Rh3 C121 139.6(2) . . ?
C122 Rh3 C121 39.4(2) . . ?
O13 Rh3 C119 122.56(15) . . ?
C120 Rh3 C119 39.46(18) . . ?
N3 Rh3 C119 152.45(17) . . ?
O14 Rh3 C119 94.86(16) . . ?
C122 Rh3 C119 65.82(19) . . ?
C121 Rh3 C119 65.07(19) . . ?
O13 Rh3 C123 98.17(16) . . ?
C120 Rh3 C123 66.0(2) . . ?
N3 Rh3 C123 154.05(17) . . ?
O14 Rh3 C123 120.78(16) . . ?
C122 Rh3 C123 39.41(18) . . ?
C121 Rh3 C123 65.32(19) . . ?
C119 Rh3 C123 38.8(2) . . ?
O15 Rh4 C113 162.78(16) . . ?
O15 Rh4 N4 85.88(12) . 2_666 ?
C113 Rh4 N4 110.87(17) . 2_666 ?
O15 Rh4 C110 104.63(18) . . ?
C113 Rh4 C110 65.4(2) . . ?
N4 Rh4 C110 114.79(18) 2_666 . ?
O15 Rh4 O16 76.80(11) . . ?
C113 Rh4 O16 107.73(17) . . ?
N4 Rh4 O16 84.79(12) 2_666 . ?
C110 Rh4 O16 160.38(17) . . ?
O15 Rh4 C111 98.20(18) . . ?
C113 Rh4 C111 65.0(2) . . ?
N4 Rh4 C111 154.35(19) 2_666 . ?
C110 Rh4 C111 39.6(2) . . ?
O16 Rh4 C111 120.83(18) . . ?
O15 Rh4 C109 139.85(19) . . ?
C113 Rh4 C109 38.4(2) . . ?
N4 Rh4 C109 95.26(17) 2_666 . ?
C110 Rh4 C109 39.2(2) . . ?
O16 Rh4 C109 143.34(19) . . ?
C111 Rh4 C109 65.4(2) . . ?
O15 Rh4 C112 125.21(19) . . ?
C113 Rh4 C112 38.6(2) . . ?
N4 Rh4 C112 148.6(2) 2_666 . ?
C110 Rh4 C112 65.4(2) . . ?
O16 Rh4 C112 97.47(17) . . ?
C111 Rh4 C112 38.5(2) . . ?
C109 Rh4 C112 64.6(2) . . ?
C7 N1 C11 119.2(4) . . ?
C7 N1 Rh1 118.6(3) . . ?
C11 N1 Rh1 122.1(3) . . ?
C26 N2 C30 119.0(4) . . ?
C26 N2 Rh2 118.3(3) . 2_557 ?
C30 N2 Rh2 122.3(3) . 2_557 ?
C71 N3 C75 119.0(4) . . ?
C71 N3 Rh3 117.5(3) . . ?
C75 N3 Rh3 123.1(3) . . ?
C90 N4 C94 119.0(3) . . ?
C90 N4 Rh4 118.9(3) . 2_666 ?
C94 N4 Rh4 122.0(3) . 2_666 ?
C1 O1 Rh1 115.3(3) . . ?
C2 O2 Rh1 115.9(3) . . ?
C4 O3 Rh2 116.3(3) . . ?
C5 O4 Rh2 115.0(3) . . ?
O26 S1 O27 119.3(5) . . ?
O26 S1 O25 117.6(5) . . ?
O27 S1 O25 112.7(5) . . ?
O26 S1 O27 159.9(5) . 2_665 ?
O27 S1 O27 56.5(5) . 2_665 ?
O25 S1 O27 57.5(4) . 2_665 ?
O26 S1 C129 88.5(8) . . ?
O27 S1 C129 106.9(6) . . ?
O25 S1 C129 107.5(6) . . ?
O27 S1 C129 111.6(8) 2_665 . ?
O30 S2 O28 114.4(5) . . ?
O30 S2 O29 122.2(6) . . ?
O28 S2 O29 114.8(5) . . ?
O30 S2 O29 165.7(6) . 2_756 ?
O28 S2 O29 58.2(5) . 2_756 ?
O29 S2 O29 59.0(6) . 2_756 ?
O30 S2 C130 87.2(7) . . ?
O28 S2 C130 106.0(5) . . ?
O29 S2 C130 106.4(6) . . ?
O29 S2 C130 106.4(7) 2_756 . ?
O6 Cu1 O5 92.6(16) . . ?
O6 Cu1 O9 178.1(12) . . ?
O5 Cu1 O9 87.1(10) . . ?
O6 Cu1 O10 88.4(19) . . ?
O5 Cu1 O10 176.9(17) . . ?
O9 Cu1 O10 92.0(16) . . ?
O6 Cu1 O37 91.9(11) . . ?
O5 Cu1 O37 86.5(8) . . ?
O9 Cu1 O37 86.2(6) . . ?
O10 Cu1 O37 96.4(14) . . ?
O8 Cu2 O7 92.8(4) . . ?
O8 Cu2 O12 86.3(8) . . ?
O7 Cu2 O12 173.8(6) . . ?
O8 Cu2 O11 169.6(5) . . ?
O7 Cu2 O11 87.8(5) . . ?
O12 Cu2 O11 92.0(8) . . ?
O8 Cu2 O38 97.7(4) . . ?
O7 Cu2 O38 91.1(3) . . ?
O12 Cu2 O38 95.1(5) . . ?
O11 Cu2 O38 92.7(4) . . ?
C14 O5 Cu1 126.0(16) . . ?
C12 O6 Cu1 124(3) . . ?
C19 O7 Cu2 120.8(7) . . ?
C21 O8 Cu2 127.5(6) . . ?
C33 O9 Cu1 125.1(11) . . ?
C31 O10 Cu1 123(3) . . ?
C38 O11 Cu2 123.6(10) . . ?
C40 O12 Cu2 128.5(15) . . ?
O10' Cu1' O6' 85(2) . . ?
O10' Cu1' O5' 162.7(18) . . ?
O6' Cu1' O5' 91.6(15) . . ?
O10' Cu1' O9' 93.0(16) . . ?
O6' Cu1' O9' 164.0(13) . . ?
O5' Cu1' O9' 85.2(8) . . ?
O10' Cu1' O37 99.9(16) . . ?
O6' Cu1' O37 97.6(11) . . ?
O5' Cu1' O37 97.4(7) . . ?
O9' Cu1' O37 98.3(6) . . ?
O12' Cu2' O7' 175.8(7) . . ?
O12' Cu2' O11' 92.5(8) . . ?
O7' Cu2' O11' 87.6(6) . . ?
O12' Cu2' O8' 88.1(8) . . ?
O7' Cu2' O8' 91.2(5) . . ?
O11' Cu2' O8' 172.2(6) . . ?
C14 O5' Cu1' 125.4(13) . . ?
C12 O6' Cu1' 125(3) . . ?
C19 O7' Cu2' 127.6(7) . . ?
C21 O8' Cu2' 123.4(8) . . ?
C33 O9' Cu1' 122.4(11) . . ?
C31 O10' Cu1' 126(3) . . ?
C38 O11' Cu2' 126.3(10) . . ?
C40 O12' Cu2' 125.9(15) . . ?
O1 C1 C6 124.1(4) . . ?
O1 C1 C2 116.2(4) . . ?
C6 C1 C2 119.8(4) . . ?
O2 C2 C3 124.8(4) . . ?
O2 C2 C1 115.7(4) . . ?
C3 C2 C1 119.4(4) . . ?
C2 C3 C4 121.2(4) . . ?
C2 C3 Cl1 119.8(3) . . ?
C4 C3 Cl1 119.0(3) . . ?
O3 C4 C3 125.1(4) . . ?
O3 C4 C5 115.6(4) . . ?
C3 C4 C5 119.3(4) . . ?
O4 C5 C6 124.1(4) . . ?
O4 C5 C4 116.5(4) . . ?
C6 C5 C4 119.4(4) . . ?
C1 C6 C5 120.3(4) . . ?
C1 C6 Cl2 120.0(3) . . ?
C5 C6 Cl2 119.6(3) . . ?
N1 C7 C8 122.8(4) . . ?
C7 C8 C9 117.9(4) . . ?
C7 C8 C12 122.7(4) . . ?
C9 C8 C12 119.4(4) . . ?
C8 C9 C10 120.1(4) . . ?
C11 C10 C9 117.9(4) . . ?
C11 C10 C19 123.9(4) . . ?
C9 C10 C19 118.1(4) . . ?
N1 C11 C10 121.9(4) . . ?
O6' C12 C13 126.3(19) . . ?
O6 C12 C13 126.4(17) . . ?
O6' C12 C8 113.4(18) . . ?
O6 C12 C8 113.8(17) . . ?
C13 C12 C8 119.4(4) . . ?
C12 C13 C14 124.1(5) . . ?
O5' C14 C13 125.3(10) . . ?
O5 C14 C13 120.3(12) . . ?
O5' C14 C15 113.5(10) . . ?
O5 C14 C15 118.5(11) . . ?
C13 C14 C15 120.2(5) . . ?
C18 C15 C16 119.7(11) . . ?
C18 C15 C14 112.3(7) . . ?
C16 C15 C14 113.0(7) . . ?
C18 C15 C17 104.6(12) . . ?
C16 C15 C17 100.9(11) . . ?
C14 C15 C17 103.8(9) . . ?
O7' C19 C20 120.9(7) . . ?
O7 C19 C20 128.1(6) . . ?
O7' C19 C10 115.0(6) . . ?
O7 C19 C10 109.2(6) . . ?
C20 C19 C10 120.5(5) . . ?
C19 C20 C21 123.1(5) . . ?
O8' C21 C20 127.4(7) . . ?
O8 C21 C20 120.2(7) . . ?
O8' C21 C22 108.8(7) . . ?
O8 C21 C22 117.2(6) . . ?
C20 C21 C22 121.0(5) . . ?
C25 C22 C23 112.3(7) . . ?
C25 C22 C24 109.5(7) . . ?
C23 C22 C24 105.9(8) . . ?
C25 C22 C21 106.9(7) . . ?
C23 C22 C21 113.9(5) . . ?
C24 C22 C21 108.3(5) . . ?
N2 C26 C27 122.7(4) . . ?
C26 C27 C28 117.9(4) . . ?
C26 C27 C31 123.1(4) . . ?
C28 C27 C31 119.0(4) . . ?
C29 C28 C27 120.2(4) . . ?
C28 C29 C30 118.0(4) . . ?
C28 C29 C38 118.9(4) . . ?
C30 C29 C38 123.2(4) . . ?
N2 C30 C29 122.2(4) . . ?
O10' C31 C32 125.3(19) . . ?
O10 C31 C32 126.9(19) . . ?
O10' C31 C27 114.3(18) . . ?
O10 C31 C27 113.0(19) . . ?
C32 C31 C27 119.7(4) . . ?
C31 C32 C33 124.0(5) . . ?
O9' C33 C32 126.2(9) . . ?
O9 C33 C32 122.0(8) . . ?
O9' C33 C34 112.3(9) . . ?
O9 C33 C34 116.7(8) . . ?
C32 C33 C34 120.0(5) . . ?
C36 C34 C35 114.7(9) . . ?
C36 C34 C33 107.9(8) . . ?
C35 C34 C33 112.9(5) . . ?
C36 C34 C37 106.3(12) . . ?
C35 C34 C37 106.2(10) . . ?
C33 C34 C37 108.6(7) . . ?
O11' C38 C39 123.2(8) . . ?
O11 C38 C39 126.2(8) . . ?
O11' C38 C29 114.0(7) . . ?
O11 C38 C29 111.6(8) . . ?
C39 C38 C29 120.8(4) . . ?
C38 C39 C40 124.3(4) . . ?
O12' C40 C39 124.9(11) . . ?
O12 C40 C39 122.8(11) . . ?
O12' C40 C41 113.7(11) . . ?
O12 C40 C41 115.8(11) . . ?
C39 C40 C41 120.1(4) . . ?
C44 C41 C40 111.1(5) . . ?
C44 C41 C42 112.4(7) . . ?
C40 C41 C42 110.3(5) . . ?
C44 C41 C43 107.4(8) . . ?
C40 C41 C43 107.2(6) . . ?
C42 C41 C43 108.2(7) . . ?
C46 C45 C49 107.6(6) . . ?
C46 C45 C50 125.3(8) . . ?
C49 C45 C50 127.1(8) . . ?
C46 C45 Rh1 70.9(3) . . ?
C49 C45 Rh1 69.1(3) . . ?
C50 C45 Rh1 124.9(5) . . ?
C45 C46 C47 108.4(6) . . ?
C45 C46 C51 125.8(6) . . ?
C47 C46 C51 125.8(6) . . ?
C45 C46 Rh1 70.4(3) . . ?
C47 C46 Rh1 69.3(3) . . ?
C51 C46 Rh1 124.3(4) . . ?
C46 C47 C48 107.3(6) . . ?
C46 C47 C52 125.5(7) . . ?
C48 C47 C52 127.1(8) . . ?
C46 C47 Rh1 71.7(3) . . ?
C48 C47 Rh1 71.0(4) . . ?
C52 C47 Rh1 125.1(5) . . ?
C49 C48 C47 107.9(6) . . ?
C49 C48 C53 129.3(10) . . ?
C47 C48 C53 122.7(10) . . ?
C49 C48 Rh1 69.4(4) . . ?
C47 C48 Rh1 69.4(3) . . ?
C53 C48 Rh1 123.4(5) . . ?
C48 C49 C45 108.6(6) . . ?
C48 C49 C54 123.9(11) . . ?
C45 C49 C54 127.4(11) . . ?
C48 C49 Rh1 71.9(4) . . ?
C45 C49 Rh1 71.7(3) . . ?
C54 C49 Rh1 124.1(6) . . ?
C56 C55 C59 107.8(4) . . ?
C56 C55 C60 127.1(5) . . ?
C59 C55 C60 125.1(5) . . ?
C56 C55 Rh2 71.1(3) . . ?
C59 C55 Rh2 69.4(3) . . ?
C60 C55 Rh2 124.7(3) . . ?
C55 C56 C57 108.6(4) . . ?
C55 C56 C61 126.9(5) . . ?
C57 C56 C61 124.3(5) . . ?
C55 C56 Rh2 70.6(2) . . ?
C57 C56 Rh2 69.0(3) . . ?
C61 C56 Rh2 122.7(4) . . ?
C56 C57 C58 107.3(5) . . ?
C56 C57 C62 124.8(5) . . ?
C58 C57 C62 127.8(5) . . ?
C56 C57 Rh2 71.4(3) . . ?
C58 C57 Rh2 71.5(3) . . ?
C62 C57 Rh2 126.5(4) . . ?
C59 C58 C57 107.8(4) . . ?
C59 C58 C63 127.1(6) . . ?
C57 C58 C63 125.1(6) . . ?
C59 C58 Rh2 69.5(3) . . ?
C57 C58 Rh2 69.0(3) . . ?
C63 C58 Rh2 126.0(4) . . ?
C58 C59 C55 108.5(5) . . ?
C58 C59 C64 126.8(5) . . ?
C55 C59 C64 124.6(5) . . ?
C58 C59 Rh2 71.8(3) . . ?
C55 C59 Rh2 71.0(3) . . ?
C64 C59 Rh2 126.0(4) . . ?
O18 Cu3 O17 93.1(4) . . ?
O18 Cu3 O21 168.5(5) . . ?
O17 Cu3 O21 84.9(6) . . ?
O18 Cu3 O22 88.3(3) . . ?
O17 Cu3 O22 165.9(5) . . ?
O21 Cu3 O22 90.9(4) . . ?
O18 Cu3 O39 102.1(4) . . ?
O17 Cu3 O39 92.5(5) . . ?
O21 Cu3 O39 89.3(5) . . ?
O22 Cu3 O39 100.9(4) . . ?
C78 O17 Cu3 127.1(9) . . ?
C97 O21 Cu3 125.6(8) . . ?
O20 Cu4 O23 177.6(8) . . ?
O20 Cu4 O24 88.4(7) . . ?
O23 Cu4 O24 91.5(8) . . ?
O20 Cu4 O19 92.4(3) . . ?
O23 Cu4 O19 87.7(5) . . ?
O24 Cu4 O19 178.8(10) . . ?
C102 O23 Cu4 126.4(8) . . ?
C104 O24 Cu4 125.1(14) . . ?
O21' Cu3' O22 95.3(6) . . ?
O21' Cu3' O17' 87.1(9) . . ?
O22 Cu3' O17' 176.4(9) . . ?
O21' Cu3' O18 175.3(7) . . ?
O22 Cu3' O18 83.7(4) . . ?
O17' Cu3' O18 93.7(8) . . ?
C78 O17' Cu3' 121.2(15) . . ?
C97 O21' Cu3' 122.2(12) . . ?
O24' Cu4' O23' 92.6(6) . . ?
O24' Cu4' O19 165.1(5) . . ?
O23' Cu4' O19 88.9(4) . . ?
O24' Cu4' O20 85.7(6) . . ?
O23' Cu4' O20 170.6(4) . . ?
O19 Cu4' O20 90.4(3) . . ?
O24' Cu4' O40 95.0(6) . . ?
O23' Cu4' O40 92.6(4) . . ?
O19 Cu4' O40 99.8(6) . . ?
O20 Cu4' O40 96.7(4) . . ?
C102 O23' Cu4' 121.7(7) . . ?
C104 O24' Cu4' 128.8(11) . . ?
O13 C65 C70 124.4(4) . . ?
O13 C65 C66 115.4(4) . . ?
C70 C65 C66 120.1(4) . . ?
O14 C66 C67 124.7(4) . . ?
O14 C66 C65 116.5(4) . . ?
C67 C66 C65 118.8(4) . . ?
C68 C67 C66 120.8(4) . . ?
C68 C67 Cl3 120.3(3) . . ?
C66 C67 Cl3 118.9(3) . . ?
O15 C68 C67 123.7(4) . . ?
O15 C68 C69 116.6(4) . . ?
C67 C68 C69 119.7(4) . . ?
O16 C69 C70 124.2(4) . . ?
O16 C69 C68 116.1(4) . . ?
C70 C69 C68 119.7(4) . . ?
C65 C70 C69 120.3(4) . . ?
C65 C70 Cl4 120.0(3) . . ?
C69 C70 Cl4 119.6(3) . . ?
N3 C71 C72 122.1(4) . . ?
C73 C72 C71 118.8(4) . . ?
C73 C72 C76 119.8(4) . . ?
C71 C72 C76 121.4(4) . . ?
C72 C73 C74 120.0(4) . . ?
C73 C74 C75 118.5(4) . . ?
C73 C74 C83 118.3(4) . . ?
C75 C74 C83 123.2(4) . . ?
N3 C75 C74 121.6(4) . . ?
O18 C76 C77 125.8(5) . . ?
O18 C76 C72 113.7(4) . . ?
C77 C76 C72 120.4(4) . . ?
C76 C77 C78 125.1(5) . . ?
O17 C78 C77 121.9(7) . . ?
O17' C78 C77 126.1(11) . . ?
O17' C78 C79' 114.5(13) . . ?
C77 C78 C79' 119.0(8) . . ?
O17 C78 C79 116.8(9) . . ?
C77 C78 C79 121.2(7) . . ?
C81 C79 C80 108.6(14) . . ?
C81 C79 C82 108.9(14) . . ?
C80 C79 C82 113.3(15) . . ?
C81 C79 C78 114.1(12) . . ?
C80 C79 C78 113.1(12) . . ?
C82 C79 C78 98.6(13) . . ?
C81' C79' C78 115.5(13) . . ?
C81' C79' C80' 108.2(16) . . ?
C78 C79' C80' 113.2(13) . . ?
C81' C79' C82' 107.3(16) . . ?
C78 C79' C82' 103.4(15) . . ?
C80' C79' C82' 109.0(15) . . ?
O19 C83 C84 125.7(5) . . ?
O19 C83 C74 113.5(4) . . ?
C84 C83 C74 120.8(4) . . ?
C85 C84 C83 123.4(5) . . ?
O20 C85 C84 126.0(5) . . ?
O20 C85 C86 113.6(5) . . ?
C84 C85 C86 120.4(5) . . ?
C87 C86 C88 112.7(9) . . ?
C87 C86 C85 112.7(5) . . ?
C88 C86 C85 109.1(7) . . ?
C87 C86 C89 106.2(8) . . ?
C88 C86 C89 107.3(9) . . ?
C85 C86 C89 108.6(7) . . ?
N4 C90 C91 122.9(4) . . ?
C90 C91 C92 117.5(4) . . ?
C90 C91 C95 123.7(4) . . ?
C92 C91 C95 118.8(4) . . ?
C93 C92 C91 120.0(4) . . ?
C94 C93 C92 118.6(4) . . ?
C94 C93 C102 123.1(4) . . ?
C92 C93 C102 118.3(4) . . ?
N4 C94 C93 121.9(4) . . ?
O22 C95 C96 125.6(5) . . ?
O22 C95 C91 113.8(4) . . ?
C96 C95 C91 120.6(4) . . ?
C95 C96 C97 122.8(6) . . ?
O21' C97 C96 125.7(9) . . ?
O21 C97 C96 123.9(8) . . ?
O21' C97 C98 107.3(10) . . ?
O21 C97 C98 116.2(8) . . ?
C96 C97 C98 119.8(7) . . ?
C100 C98 C97 115.8(8) . . ?
C100 C98 C99 108.3(13) . . ?
C97 C98 C99 110.2(9) . . ?
C100 C98 C101 117.1(11) . . ?
C97 C98 C101 105.0(12) . . ?
C99 C98 C101 99.1(10) . . ?
O23 C102 C103 122.0(7) . . ?
O23' C102 C103 128.0(6) . . ?
O23 C102 C93 114.3(6) . . ?
O23' C102 C93 110.3(6) . . ?
C103 C102 C93 120.4(4) . . ?
C102 C103 C104 123.6(4) . . ?
O24 C104 C103 126.2(10) . . ?
O24' C104 C103 119.9(9) . . ?
O24 C104 C105 111.1(10) . . ?
O24' C104 C105 117.3(8) . . ?
C103 C104 C105 121.4(5) . . ?
C106 C105 C107 108.3(7) . . ?
C106 C105 C108 111.0(6) . . ?
C107 C105 C108 108.1(7) . . ?
C106 C105 C104 114.1(5) . . ?
C107 C105 C104 108.9(5) . . ?
C108 C105 C104 106.3(6) . . ?
C113 C109 C110 107.7(5) . . ?
C113 C109 C114 127.8(6) . . ?
C110 C109 C114 124.4(6) . . ?
C113 C109 Rh4 69.7(3) . . ?
C110 C109 Rh4 69.4(3) . . ?
C114 C109 Rh4 123.7(4) . . ?
C109 C110 C111 107.1(5) . . ?
C109 C110 C115 129.2(6) . . ?
C111 C110 C115 123.7(6) . . ?
C109 C110 Rh4 71.3(3) . . ?
C111 C110 Rh4 70.9(3) . . ?
C115 C110 Rh4 124.2(4) . . ?
C112 C111 C110 107.7(5) . . ?
C112 C111 C116 125.6(6) . . ?
C110 C111 C116 126.7(6) . . ?
C112 C111 Rh4 71.4(3) . . ?
C110 C111 Rh4 69.5(3) . . ?
C116 C111 Rh4 123.8(4) . . ?
C113 C112 C111 107.9(5) . . ?
C113 C112 C117 124.7(6) . . ?
C111 C112 C117 127.3(6) . . ?
C113 C112 Rh4 69.3(3) . . ?
C111 C112 Rh4 70.1(3) . . ?
C117 C112 Rh4 124.8(4) . . ?
C109 C113 C112 109.4(5) . . ?
C109 C113 C118 123.7(6) . . ?
C112 C113 C118 126.7(6) . . ?
C109 C113 Rh4 71.9(3) . . ?
C112 C113 Rh4 72.1(3) . . ?
C118 C113 Rh4 127.0(4) . . ?
C123 C119 C120 108.3(4) . . ?
C123 C119 C124 126.3(5) . . ?
C120 C119 C124 125.4(5) . . ?
C123 C119 Rh3 70.9(3) . . ?
C120 C119 Rh3 69.0(2) . . ?
C124 C119 Rh3 124.1(4) . . ?
C121 C120 C119 107.7(5) . . ?
C121 C120 C125 127.2(5) . . ?
C119 C120 C125 125.0(5) . . ?
C121 C120 Rh3 71.7(3) . . ?
C119 C120 Rh3 71.5(3) . . ?
C125 C120 Rh3 125.3(4) . . ?
C120 C121 C122 108.8(4) . . ?
C120 C121 C126 126.0(6) . . ?
C122 C121 C126 125.2(6) . . ?
C120 C121 Rh3 69.4(3) . . ?
C122 C121 Rh3 69.7(3) . . ?
C126 C121 Rh3 124.9(4) . . ?
C121 C122 C123 107.2(5) . . ?
C121 C122 C127 127.2(5) . . ?
C123 C122 C127 125.3(5) . . ?
C121 C122 Rh3 70.9(3) . . ?
C123 C122 Rh3 71.4(3) . . ?
C127 C122 Rh3 127.6(4) . . ?
C119 C123 C122 107.8(4) . . ?
C119 C123 C128 126.7(5) . . ?
C122 C123 C128 125.5(5) . . ?
C119 C123 Rh3 70.2(3) . . ?
C122 C123 Rh3 69.2(2) . . ?
C128 C123 Rh3 124.0(4) . . ?
F3 C129 F2 113.7(12) . . ?
F3 C129 F1 97.0(13) . . ?
F2 C129 F1 95.5(13) . . ?
F3 C129 S1 119.6(10) . . ?
F2 C129 S1 118.8(10) . . ?
F1 C129 S1 105.3(10) . . ?
F6 C130 F4 108.9(13) . . ?
F6 C130 F5 107.3(13) . . ?
F4 C130 F5 101.4(12) . . ?
F6 C130 S2 114.3(10) . . ?
F4 C130 S2 115.4(8) . . ?
F5 C130 S2 108.4(10) . . ?
C138 C133 C137 122.2(15) . . ?
C138 C133 C134 122.3(15) . . ?
C137 C133 C134 107.6(14) . . ?
C138 C133 C136 75.5(11) . 2_557 ?
C137 C133 C136 96.5(12) . 2_557 ?
C134 C133 C136 71.5(9) . 2_557 ?
C138 C133 C135 75.3(11) . 2_557 ?
C137 C133 C135 62.7(9) . 2_557 ?
C134 C133 C135 107.4(10) . 2_557 ?
C136 C133 C135 43.5(7) 2_557 2_557 ?
C141 C134 C135 125.6(18) . . ?
C141 C134 C133 121.0(18) . . ?
C135 C134 C133 105.9(13) . . ?
C141 C134 C137 81.8(12) . 2_557 ?
C135 C134 C137 65.3(9) . 2_557 ?
C133 C134 C137 97.5(11) . 2_557 ?
C141 C134 C150 58.2(13) . 2_557 ?
C135 C134 C150 68.5(10) . 2_557 ?
C133 C134 C150 139.3(12) . 2_557 ?
C137 C134 C150 42.5(8) 2_557 2_557 ?
C141 C134 C136 80.7(12) . 2_557 ?
C135 C134 C136 98.6(11) . 2_557 ?
C133 C134 C136 63.6(9) . 2_557 ?
C137 C134 C136 41.9(7) 2_557 2_557 ?
C150 C134 C136 77.1(9) 2_557 2_557 ?
C144 C135 C136 126.1(17) . . ?
C144 C135 C134 122.0(16) . . ?
C136 C135 C134 107.8(14) . . ?
C144 C135 C137 82.2(11) . 2_557 ?
C136 C135 C137 99.0(11) . 2_557 ?
C134 C135 C137 68.9(10) . 2_557 ?
C144 C135 C150 57.3(11) . 2_557 ?
C136 C135 C150 141.6(12) . 2_557 ?
C134 C135 C150 67.8(11) . 2_557 ?
C137 C135 C150 42.9(8) 2_557 2_557 ?
C144 C135 C133 82.1(11) . 2_557 ?
C136 C135 C133 64.6(9) . 2_557 ?
C134 C135 C133 106.1(11) . 2_557 ?
C137 C135 C133 44.6(7) 2_557 2_557 ?
C150 C135 C133 79.6(9) 2_557 2_557 ?
C137 C136 C135 110.6(16) . . ?
C137 C136 C147 121.5(16) . . ?
C135 C136 C147 122.3(16) . . ?
C137 C136 C133 101.3(11) . 2_557 ?
C135 C136 C133 71.9(10) . 2_557 ?
C147 C136 C133 75.1(10) . 2_557 ?
C137 C136 C134 65.2(10) . 2_557 ?
C135 C136 C134 109.0(11) . 2_557 ?
C147 C136 C134 75.1(11) . 2_557 ?
C133 C136 C134 44.9(7) 2_557 2_557 ?
C137 C136 C138 141.4(13) . 2_557 ?
C135 C136 C138 72.4(11) . 2_557 ?
C147 C136 C138 51.8(10) . 2_557 ?
C133 C136 C138 41.4(8) 2_557 2_557 ?
C134 C136 C138 77.3(9) 2_557 2_557 ?
C136 C137 C150 123.7(17) . . ?
C136 C137 C133 107.9(14) . . ?
C150 C137 C133 124.5(15) . . ?
C136 C137 C135 108.3(12) . 2_557 ?
C150 C137 C135 73.0(11) . 2_557 ?
C133 C137 C135 72.7(10) . 2_557 ?
C136 C137 C134 72.9(11) . 2_557 ?
C150 C137 C134 70.9(12) . 2_557 ?
C133 C137 C134 110.6(11) . 2_557 ?
C135 C137 C134 45.8(7) 2_557 2_557 ?
C146 C138 C145 79(2) 2_557 2_557 ?
C146 C138 C133 147(2) 2_557 . ?
C145 C138 C133 134(2) 2_557 . ?
C146 C138 C139 29.0(14) 2_557 . ?
C145 C138 C139 108(2) 2_557 . ?
C133 C138 C139 117.5(19) . . ?
C146 C138 C152 102(2) 2_557 . ?
C145 C138 C152 24.1(17) 2_557 . ?
C133 C138 C152 111(2) . . ?
C139 C138 C152 131(2) . . ?
C146 C138 C147 62.0(14) 2_557 2_557 ?
C145 C138 C147 130(2) 2_557 2_557 ?
C133 C138 C147 87.8(15) . 2_557 ?
C139 C138 C147 39.0(12) . 2_557 ?
C152 C138 C147 140(2) . 2_557 ?
C146 C138 C144 121(2) 2_557 2_557 ?
C145 C138 C144 52.4(13) 2_557 2_557 ?
C133 C138 C144 86.9(14) . 2_557 ?
C139 C138 C144 142.9(17) . 2_557 ?
C152 C138 C144 30.0(17) . 2_557 ?
C147 C138 C144 124.3(14) 2_557 2_557 ?
C146 C138 C136 100.8(18) 2_557 2_557 ?
C145 C138 C136 120.1(17) 2_557 2_557 ?
C133 C138 C136 63.1(11) . 2_557 ?
C139 C138 C136 85.9(14) . 2_557 ?
C152 C138 C136 108(2) . 2_557 ?
C147 C138 C136 48.0(10) 2_557 2_557 ?
C144 C138 C136 81.0(11) 2_557 2_557 ?
C146 C139 C147 110(4) 2_557 2_557 ?
C146 C139 C140 156(4) 2_557 . ?
C147 C139 C140 47(2) 2_557 . ?
C146 C139 C138 46(3) 2_557 . ?
C147 C139 C138 78.5(19) 2_557 . ?
C140 C139 C138 116(3) . . ?
C146 C139 C148 154(4) 2_557 2_557 ?
C147 C139 C148 44.4(15) 2_557 2_557 ?
C140 C139 C148 3(2) . 2_557 ?
C138 C139 C148 113.2(19) . 2_557 ?
C148 C140 C147 125(8) 2_557 2_557 ?
C148 C140 C139 169(8) 2_557 . ?
C147 C140 C139 47.1(18) 2_557 . ?
C148 C140 C141 43(5) 2_557 . ?
C147 C140 C141 91(3) 2_557 . ?
C139 C140 C141 126(3) . . ?
C148 C140 C149 20(5) 2_557 2_557 ?
C147 C140 C149 106(3) 2_557 2_557 ?
C139 C140 C149 150(3) . 2_557 ?
C141 C140 C149 25.8(14) . 2_557 ?
C149 C141 C148 89(3) 2_557 2_557 ?
C149 C141 C134 133(4) 2_557 . ?
C148 C141 C134 135(2) 2_557 . ?
C149 C141 C140 109(4) 2_557 . ?
C148 C141 C140 21(2) 2_557 . ?
C134 C141 C140 114.5(19) . . ?
C149 C141 C142 23(3) 2_557 . ?
C148 C141 C142 112(3) 2_557 . ?
C134 C141 C142 111(3) . . ?
C140 C141 C142 132(3) . . ?
C149 C141 C150 58(2) 2_557 2_557 ?
C148 C141 C150 132(2) 2_557 2_557 ?
C134 C141 C150 77.2(19) . 2_557 ?
C140 C141 C150 139(2) . 2_557 ?
C142 C141 C150 44.1(15) . 2_557 ?
C149 C141 C147 126(3) 2_557 2_557 ?
C148 C141 C147 53.2(16) 2_557 2_557 ?
C134 C141 C147 84.9(13) . 2_557 ?
C140 C141 C147 35.1(16) . 2_557 ?
C142 C141 C147 143.9(19) . 2_557 ?
C150 C141 C147 116.4(15) 2_557 2_557 ?
C149 C142 C150 93(4) 2_557 2_557 ?
C149 C142 C143 146(5) 2_557 . ?
C150 C142 C143 54(2) 2_557 . ?
C149 C142 C141 29(4) 2_557 . ?
C150 C142 C141 78(2) 2_557 . ?
C143 C142 C141 123(3) . . ?
C149 C142 C151 137(4) 2_557 2_557 ?
C150 C142 C151 44.5(15) 2_557 2_557 ?
C143 C142 C151 9.9(16) . 2_557 ?
C141 C142 C151 116(2) . 2_557 ?
C151 C143 C150 96(4) 2_557 2_557 ?
C151 C143 C142 149(5) 2_557 . ?
C150 C143 C142 54(2) 2_557 . ?
C151 C143 C144 40(3) 2_557 . ?
C150 C143 C144 77.5(19) 2_557 . ?
C142 C143 C144 123(3) . . ?
C151 C143 C152 17(3) 2_557 2_557 ?
C150 C143 C152 91(2) 2_557 2_557 ?
C142 C143 C152 144(2) . 2_557 ?
C144 C143 C152 23.6(15) . 2_557 ?
C151 C143 C149 139(4) 2_557 2_557 ?
C150 C143 C149 42.7(14) 2_557 2_557 ?
C142 C143 C149 11.4(17) . 2_557 ?
C144 C143 C149 113(2) . 2_557 ?
C152 C143 C149 132(2) 2_557 2_557 ?
C152 C144 C151 93(3) 2_557 2_557 ?
C152 C144 C135 128(3) 2_557 . ?
C151 C144 C135 135(2) 2_557 . ?
C152 C144 C143 118(3) 2_557 . ?
C151 C144 C143 25.6(19) 2_557 . ?
C135 C144 C143 112.4(19) . . ?
C152 C144 C145 15(3) 2_557 . ?
C151 C144 C145 108(2) 2_557 . ?
C135 C144 C145 113.4(19) . . ?
C143 C144 C145 133(2) . . ?
C152 C144 C150 134(3) 2_557 2_557 ?
C151 C144 C150 59.6(16) 2_557 2_557 ?
C135 C144 C150 77.4(13) . 2_557 ?
C143 C144 C150 44.8(16) . 2_557 ?
C145 C144 C150 141.0(17) . 2_557 ?
C152 C144 C138 52(2) 2_557 2_557 ?
C151 C144 C138 128(2) 2_557 2_557 ?
C135 C144 C138 78.3(13) . 2_557 ?
C143 C144 C138 146.5(18) . 2_557 ?
C145 C144 C138 41.4(13) . 2_557 ?
C150 C144 C138 114.0(14) 2_557 2_557 ?
C152 C145 C138 102(5) 2_557 2_557 ?
C152 C145 C144 23(5) 2_557 . ?
C138 C145 C144 86.2(18) 2_557 . ?
C152 C145 C146 144(6) 2_557 . ?
C138 C145 C146 46.0(16) 2_557 . ?
C144 C145 C146 122(2) . . ?
C152 C145 C151 6(5) 2_557 2_557 ?
C138 C145 C151 103.6(18) 2_557 2_557 ?
C144 C145 C151 28.6(11) . 2_557 ?
C146 C145 C151 147.5(19) . 2_557 ?
C139 C146 C138 105(4) 2_557 2_557 ?
C139 C146 C147 42(3) 2_557 . ?
C138 C146 C147 77.2(19) 2_557 . ?
C139 C146 C145 160(4) 2_557 . ?
C138 C146 C145 54.8(19) 2_557 . ?
C147 C146 C145 123(2) . . ?
C139 C146 C152 151(4) 2_557 2_557 ?
C138 C146 C152 46.2(16) 2_557 2_557 ?
C147 C146 C152 112.7(19) . 2_557 ?
C145 C146 C152 10.5(17) . 2_557 ?
C140 C147 C139 86(3) 2_557 2_557 ?
C140 C147 C148 19(3) 2_557 . ?
C139 C147 C148 105(2) 2_557 . ?
C140 C147 C146 115(3) 2_557 . ?
C139 C147 C146 28.2(14) 2_557 . ?
C148 C147 C146 133(2) . . ?
C140 C147 C136 133(3) 2_557 . ?
C139 C147 C136 139(2) 2_557 . ?
C148 C147 C136 114.4(19) . . ?
C146 C147 C136 111.4(17) . . ?
C140 C147 C138 134(2) 2_557 2_557 ?
C139 C147 C138 62.5(14) 2_557 2_557 ?
C148 C147 C138 142.1(17) . 2_557 ?
C146 C147 C138 40.9(13) . 2_557 ?
C136 C147 C138 80.2(13) . 2_557 ?
C140 C147 C141 54(2) 2_557 2_557 ?
C139 C147 C141 127(2) 2_557 2_557 ?
C148 C147 C141 37.6(14) . 2_557 ?
C146 C147 C141 144.9(16) . 2_557 ?
C136 C147 C141 84.0(15) . 2_557 ?
C138 C147 C141 118.6(15) 2_557 2_557 ?
C140 C148 C141 117(7) 2_557 2_557 ?
C140 C148 C149 152(7) 2_557 . ?
C141 C148 C149 39.3(19) 2_557 . ?
C140 C148 C147 36(6) 2_557 . ?
C141 C148 C147 89(2) 2_557 . ?
C149 C148 C147 117(3) . . ?
C140 C148 C139 8(5) 2_557 2_557 ?
C141 C148 C139 109(2) 2_557 2_557 ?
C149 C148 C139 145(2) . 2_557 ?
C147 C148 C139 30.5(11) . 2_557 ?
C142 C149 C141 128(6) 2_557 2_557 ?
C142 C149 C148 174(5) 2_557 . ?
C141 C149 C148 52(3) 2_557 . ?
C142 C149 C150 56(3) 2_557 . ?
C141 C149 C150 90(4) 2_557 . ?
C148 C149 C150 129(3) . . ?
C142 C149 C140 173(5) 2_557 2_557 ?
C141 C149 C140 45(3) 2_557 2_557 ?
C148 C149 C140 8(2) . 2_557 ?
C150 C149 C140 121(2) . 2_557 ?
C142 C149 C143 23(3) 2_557 2_557 ?
C141 C149 C143 111(3) 2_557 2_557 ?
C148 C149 C143 161(3) . 2_557 ?
C150 C149 C143 34.8(13) . 2_557 ?
C140 C149 C143 153(2) 2_557 2_557 ?
C142 C150 C143 72.3(18) 2_557 2_557 ?
C142 C150 C137 143(2) 2_557 . ?
C143 C150 C137 144(2) 2_557 . ?
C142 C150 C149 30.6(15) 2_557 . ?
C143 C150 C149 103(2) 2_557 . ?
C137 C150 C149 113(2) . . ?
C142 C150 C151 100(2) 2_557 . ?
C143 C150 C151 28.1(14) 2_557 . ?
C137 C150 C151 116.3(18) . . ?
C149 C150 C151 131(2) . . ?
C142 C150 C144 122(2) 2_557 2_557 ?
C143 C150 C144 57.7(14) 2_557 2_557 ?
C137 C150 C144 89.1(14) . 2_557 ?
C149 C150 C144 142.5(19) . 2_557 ?
C151 C150 C144 37.2(11) . 2_557 ?
C142 C150 C141 57.5(15) 2_557 2_557 ?
C143 C150 C141 120(2) 2_557 2_557 ?
C137 C150 C141 89.5(15) . 2_557 ?
C149 C150 C141 31.5(17) . 2_557 ?
C151 C150 C141 143.6(19) . 2_557 ?
C144 C150 C141 126.9(17) 2_557 2_557 ?
C142 C150 C134 94.4(17) 2_557 2_557 ?
C143 C150 C134 119(2) 2_557 2_557 ?
C137 C150 C134 66.6(11) . 2_557 ?
C149 C150 C134 75.3(18) . 2_557 ?
C151 C150 C134 120.6(15) . 2_557 ?
C144 C150 C134 87.4(12) 2_557 2_557 ?
C141 C150 C134 44.6(11) 2_557 2_557 ?
C142 C150 C135 123.4(19) 2_557 2_557 ?
C143 C150 C135 95.2(18) 2_557 2_557 ?
C137 C150 C135 64.1(10) . 2_557 ?
C149 C150 C135 116(2) . 2_557 ?
C151 C150 C135 81.9(13) . 2_557 ?
C144 C150 C135 45.3(9) 2_557 2_557 ?
C141 C150 C135 87.7(13) 2_557 2_557 ?
C134 C150 C135 43.7(7) 2_557 2_557 ?
C143 C151 C144 115(4) 2_557 2_557 ?
C143 C151 C152 155(5) 2_557 . ?
C144 C151 C152 41(2) 2_557 . ?
C143 C151 C150 56(4) 2_557 . ?
C144 C151 C150 83.3(18) 2_557 . ?
C152 C151 C150 115(2) . . ?
C143 C151 C145 158(4) 2_557 2_557 ?
C144 C151 C145 43.9(15) 2_557 2_557 ?
C152 C151 C145 3(2) . 2_557 ?
C150 C151 C145 116.0(17) . 2_557 ?
C143 C151 C142 21(4) 2_557 2_557 ?
C144 C151 C142 106.4(19) 2_557 2_557 ?
C152 C151 C142 146(2) . 2_557 ?
C150 C151 C142 35.2(12) . 2_557 ?
C145 C151 C142 148.1(14) 2_557 2_557 ?
C145 C152 C144 143(7) 2_557 2_557 ?
C145 C152 C151 171(7) 2_557 . ?
C144 C152 C151 45.8(19) 2_557 . ?
C145 C152 C138 54(4) 2_557 . ?
C144 C152 C138 98(3) 2_557 . ?
C151 C152 C138 128(3) . . ?
C145 C152 C146 26(4) 2_557 2_557 ?
C144 C152 C146 118(3) 2_557 2_557 ?
C151 C152 C146 159(3) . 2_557 ?
C138 C152 C146 31.8(12) . 2_557 ?
C145 C152 C143 179(7) 2_557 2_557 ?
C144 C152 C143 38.2(19) 2_557 2_557 ?
C151 C152 C143 8.1(16) . 2_557 ?
C138 C152 C143 126(3) . 2_557 ?
C146 C152 C143 155(2) 2_557 2_557 ?
C154 C153 C157 110.3(14) . . ?
C154 C153 C158 122.4(16) . . ?
C157 C153 C158 122.2(16) . . ?
C154 C153 C155 101.8(11) . 2_666 ?
C157 C153 C155 71.1(10) . 2_666 ?
C158 C153 C155 76.4(11) . 2_666 ?
C154 C153 C156 62.6(10) . 2_666 ?
C157 C153 C156 110.9(11) . 2_666 ?
C158 C153 C156 77.4(11) . 2_666 ?
C155 C153 C156 48.6(8) 2_666 2_666 ?
C154 C153 C164 146.7(12) . 2_666 ?
C157 C153 C164 71.2(12) . 2_666 ?
C158 C153 C164 52.1(11) . 2_666 ?
C155 C153 C164 45.9(7) 2_666 2_666 ?
C156 C153 C164 85.4(10) 2_666 2_666 ?
C161 C154 C153 121.4(16) . . ?
C161 C154 C155 125.3(14) . . ?
C153 C154 C155 108.8(13) . . ?
C161 C154 C156 70.6(11) . 2_666 ?
C153 C154 C156 71.7(11) . 2_666 ?
C155 C154 C156 109.5(11) . 2_666 ?
C161 C154 C157 74.2(10) . 2_666 ?
C153 C154 C157 110.7(11) . 2_666 ?
C155 C154 C157 68.7(9) . 2_666 ?
C156 C154 C157 49.7(7) 2_666 2_666 ?
C164 C155 C154 122.2(15) . . ?
C164 C155 C156 124.6(15) . . ?
C154 C155 C156 106.3(14) . . ?
C164 C155 C153 75.1(11) . 2_666 ?
C154 C155 C153 99.6(12) . 2_666 ?
C156 C155 C153 71.8(10) . 2_666 ?
C164 C155 C157 74.0(13) . 2_666 ?
C154 C155 C157 63.1(9) . 2_666 ?
C156 C155 C157 110.7(11) . 2_666 ?
C153 C155 C157 47.7(8) 2_666 2_666 ?
C164 C155 C158 50.7(11) . 2_666 ?
C154 C155 C158 146.1(12) . 2_666 ?
C156 C155 C158 74.3(11) . 2_666 ?
C153 C155 C158 47.4(8) 2_666 2_666 ?
C157 C155 C158 84.6(9) 2_666 2_666 ?
C167 C156 C157 125.7(18) . . ?
C167 C156 C155 118.7(17) . . ?
C157 C156 C155 107.5(14) . . ?
C167 C156 C154 81.7(12) . 2_666 ?
C157 C156 C154 65.4(10) . 2_666 ?
C155 C156 C154 96.8(11) . 2_666 ?
C167 C156 C161 56.8(12) . 2_666 ?
C157 C156 C161 69.7(12) . 2_666 ?
C155 C156 C161 140.3(12) . 2_666 ?
C154 C156 C161 44.8(7) 2_666 2_666 ?
C167 C156 C153 80.0(11) . 2_666 ?
C157 C156 C153 102.1(12) . 2_666 ?
C155 C156 C153 59.5(9) . 2_666 ?
C154 C156 C153 45.7(7) 2_666 2_666 ?
C161 C156 C153 81.8(9) 2_666 2_666 ?
C170 C157 C153 123.8(17) . . ?
C170 C157 C156 124.3(17) . . ?
C153 C157 C156 107.1(14) . . ?
C170 C157 C154 85.4(11) . 2_666 ?
C153 C157 C154 98.3(11) . 2_666 ?
C156 C157 C154 65.0(10) . 2_666 ?
C170 C157 C155 83.4(11) . 2_666 ?
C153 C157 C155 61.2(9) . 2_666 ?
C156 C157 C155 105.0(11) . 2_666 ?
C154 C157 C155 48.1(7) 2_666 2_666 ?
C170 C157 C161 62.3(12) . 2_666 ?
C153 C157 C161 141.8(12) . 2_666 ?
C156 C157 C161 63.9(11) . 2_666 ?
C154 C157 C161 43.5(7) 2_666 2_666 ?
C155 C157 C161 84.4(9) 2_666 2_666 ?
C170 C157 C164 58.7(12) . 2_666 ?
C153 C157 C164 65.8(11) . 2_666 ?
C156 C157 C164 148.1(12) . 2_666 ?
C154 C157 C164 84.8(9) 2_666 2_666 ?
C155 C157 C164 43.5(7) 2_666 2_666 ?
C161 C157 C164 101.5(10) 2_666 2_666 ?
C165 C158 C166 90(3) 2_666 2_666 ?
C165 C158 C159 109(3) 2_666 . ?
C166 C158 C159 19(2) 2_666 . ?
C165 C158 C172 28.8(18) 2_666 . ?
C166 C158 C172 119(3) 2_666 . ?
C159 C158 C172 136(2) . . ?
C165 C158 C153 139(2) 2_666 . ?
C166 C158 C153 130(2) 2_666 . ?
C159 C158 C153 112(2) . . ?
C172 C158 C153 111.0(18) . . ?
C165 C158 C164 66.8(17) 2_666 2_666 ?
C166 C158 C164 146(3) 2_666 2_666 ?
C159 C158 C164 149(2) . 2_666 ?
C172 C158 C164 39.4(13) . 2_666 ?
C153 C158 C164 77.7(15) . 2_666 ?
C165 C158 C167 136(3) 2_666 2_666 ?
C166 C158 C167 53.2(16) 2_666 2_666 ?
C159 C158 C167 34.3(17) . 2_666 ?
C172 C158 C167 151.5(17) . 2_666 ?
C153 C158 C167 82.4(14) . 2_666 ?
C164 C158 C167 128.7(15) 2_666 2_666 ?
C165 C158 C155 105.7(19) 2_666 2_666 ?
C166 C158 C155 128(2) 2_666 2_666 ?
C159 C158 C155 114.7(18) . 2_666 ?
C172 C158 C155 83.0(14) . 2_666 ?
C153 C158 C155 56.2(9) . 2_666 ?
C164 C158 C155 45.4(9) 2_666 2_666 ?
C167 C158 C155 84.5(12) 2_666 2_666 ?
C166 C159 C167 133(8) 2_666 2_666 ?
C166 C159 C158 41(6) 2_666 . ?
C167 C159 C158 93(3) 2_666 . ?
C166 C159 C160 165(9) 2_666 . ?
C167 C159 C160 37(2) 2_666 . ?
C158 C159 C160 125(3) . . ?
C166 C159 C165 17(6) 2_666 2_666 ?
C167 C159 C165 117(3) 2_666 2_666 ?
C158 C159 C165 28.2(13) . 2_666 ?
C160 C159 C165 152(3) . 2_666 ?
C168 C160 C167 132(6) 2_666 2_666 ?
C168 C160 C161 52(4) 2_666 . ?
C167 C160 C161 82(3) 2_666 . ?
C168 C160 C159 167(6) 2_666 . ?
C167 C160 C159 42(3) 2_666 . ?
C161 C160 C159 117(3) . . ?
C168 C160 C166 163(6) 2_666 2_666 ?
C167 C160 C166 40(2) 2_666 2_666 ?
C161 C160 C166 113(2) . 2_666 ?
C159 C160 C166 4(2) . 2_666 ?
C168 C160 C169 21(4) 2_666 2_666 ?
C167 C160 C169 111(3) 2_666 2_666 ?
C161 C160 C169 35.1(14) . 2_666 ?
C159 C160 C169 151(3) . 2_666 ?
C166 C160 C169 147(2) 2_666 2_666 ?
C168 C161 C169 76.4(19) 2_666 2_666 ?
C168 C161 C154 146(2) 2_666 . ?
C169 C161 C154 138(2) 2_666 . ?
C168 C161 C160 27.1(17) 2_666 . ?
C169 C161 C160 102(2) 2_666 . ?
C154 C161 C160 120(2) . . ?
C168 C161 C162 100(2) 2_666 . ?
C169 C161 C162 23.4(19) 2_666 . ?
C154 C161 C162 114.2(18) . . ?
C160 C161 C162 125(2) . . ?
C168 C161 C167 60.1(15) 2_666 2_666 ?
C169 C161 C167 128(2) 2_666 2_666 ?
C154 C161 C167 90.6(15) . 2_666 ?
C160 C161 C167 33.7(17) . 2_666 ?
C162 C161 C167 145.6(17) . 2_666 ?
C168 C161 C170 127(2) 2_666 2_666 ?
C169 C161 C170 54.2(14) 2_666 2_666 ?
C154 C161 C170 86.3(12) . 2_666 ?
C160 C161 C170 143(2) . 2_666 ?
C162 C161 C170 33.5(13) . 2_666 ?
C167 C161 C170 136.3(14) 2_666 2_666 ?
C168 C161 C156 102.2(17) 2_666 2_666 ?
C169 C161 C156 123(2) 2_666 2_666 ?
C154 C161 C156 64.6(11) . 2_666 ?
C160 C161 C156 80.8(19) . 2_666 ?
C162 C161 C156 118.4(15) . 2_666 ?
C167 C161 C156 50.0(11) 2_666 2_666 ?
C170 C161 C156 90.4(11) 2_666 2_666 ?
C168 C161 C157 132.3(19) 2_666 2_666 ?
C169 C161 C157 92.6(19) 2_666 2_666 ?
C154 C161 C157 62.3(9) . 2_666 ?
C160 C161 C157 122(2) . 2_666 ?
C162 C161 C157 77.1(14) . 2_666 ?
C167 C161 C157 95.9(13) 2_666 2_666 ?
C170 C161 C157 45.1(9) 2_666 2_666 ?
C156 C161 C157 46.3(7) 2_666 2_666 ?
C169 C162 C170 122(6) 2_666 2_666 ?
C169 C162 C163 164(7) 2_666 . ?
C170 C162 C163 45(3) 2_666 . ?
C169 C162 C161 47(5) 2_666 . ?
C170 C162 C161 85(2) 2_666 . ?
C163 C162 C161 117(3) . . ?
C169 C162 C171 161(6) 2_666 2_666 ?
C170 C162 C171 39.7(18) 2_666 2_666 ?
C163 C162 C171 6(2) . 2_666 ?
C161 C162 C171 115.6(19) . 2_666 ?
C171 C163 C170 118(8) 2_666 2_666 ?
C171 C163 C162 159(9) 2_666 . ?
C170 C163 C162 42(2) 2_666 . ?
C171 C163 C164 48(4) 2_666 . ?
C170 C163 C164 86(3) 2_666 . ?
C162 C163 C164 124(3) . . ?
C171 C163 C172 20(4) 2_666 2_666 ?
C170 C163 C172 108(3) 2_666 2_666 ?
C162 C163 C172 150(3) . 2_666 ?
C164 C163 C172 28.9(12) . 2_666 ?
C172 C164 C171 87(2) 2_666 2_666 ?
C172 C164 C155 142(3) 2_666 . ?
C171 C164 C155 131(2) 2_666 . ?
C172 C164 C165 27.9(17) 2_666 . ?
C171 C164 C165 114(2) 2_666 . ?
C155 C164 C165 115.0(19) . . ?
C172 C164 C163 106(3) 2_666 . ?
C171 C164 C163 20(2) 2_666 . ?
C155 C164 C163 111(2) . . ?
C165 C164 C163 134(2) . . ?
C172 C164 C158 64.0(16) 2_666 2_666 ?
C171 C164 C158 142.4(18) 2_666 2_666 ?
C155 C164 C158 83.9(14) . 2_666 ?
C165 C164 C158 37.5(13) . 2_666 ?
C163 C164 C158 157(2) . 2_666 ?
C172 C164 C170 130(2) 2_666 2_666 ?
C171 C164 C170 51.3(14) 2_666 2_666 ?
C155 C164 C170 86.8(15) . 2_666 ?
C165 C164 C170 148.5(17) . 2_666 ?
C163 C164 C170 36(2) . 2_666 ?
C158 C164 C170 134.0(17) 2_666 2_666 ?
C172 C164 C153 108(2) 2_666 2_666 ?
C171 C164 C153 129(2) 2_666 2_666 ?
C155 C164 C153 59.0(10) . 2_666 ?
C165 C164 C153 85.9(15) . 2_666 ?
C163 C164 C153 122(2) . 2_666 ?
C158 C164 C153 50.2(11) 2_666 2_666 ?
C170 C164 C153 86.8(13) 2_666 2_666 ?
C172 C164 C157 135(2) 2_666 2_666 ?
C171 C164 C157 92.5(18) 2_666 2_666 ?
C155 C164 C157 62.6(11) . 2_666 ?
C165 C164 C157 124.7(17) . 2_666 ?
C163 C164 C157 80(2) . 2_666 ?
C158 C164 C157 92.7(14) 2_666 2_666 ?
C170 C164 C157 44.1(10) 2_666 2_666 ?
C153 C164 C157 43.1(8) 2_666 2_666 ?
C172 C165 C158 112(4) 2_666 2_666 ?
C172 C165 C166 157(5) 2_666 . ?
C158 C165 C166 47(2) 2_666 . ?
C172 C165 C164 39(3) 2_666 . ?
C158 C165 C164 76(2) 2_666 . ?
C166 C165 C164 118(3) . . ?
C172 C165 C159 152(4) 2_666 2_666 ?
C158 C165 C159 43.1(18) 2_666 2_666 ?
C166 C165 C159 6(2) . 2_666 ?
C164 C165 C159 112(2) . 2_666 ?
C159 C166 C158 120(8) 2_666 2_666 ?
C159 C166 C167 31(6) 2_666 . ?
C158 C166 C167 90(3) 2_666 . ?
C159 C166 C165 157(8) 2_666 . ?
C158 C166 C165 42.2(18) 2_666 . ?
C167 C166 C165 127(3) . . ?
C159 C166 C160 11(7) 2_666 2_666 ?
C158 C166 C160 110(3) 2_666 2_666 ?
C167 C166 C160 23.8(15) . 2_666 ?
C165 C166 C160 150(3) . 2_666 ?
C160 C167 C159 101(4) 2_666 2_666 ?
C160 C167 C166 116(3) 2_666 . ?
C159 C167 C166 16(2) 2_666 . ?
C160 C167 C168 21(2) 2_666 . ?
C159 C167 C168 121(3) 2_666 . ?
C166 C167 C168 135(2) . . ?
C160 C167 C156 129(3) 2_666 . ?
C159 C167 C156 130(2) 2_666 . ?
C166 C167 C156 114(2) . . ?
C168 C167 C156 109(2) . . ?
C160 C167 C161 64(2) 2_666 2_666 ?
C159 C167 C161 145(3) 2_666 2_666 ?
C166 C167 C161 146(2) . 2_666 ?
C168 C167 C161 44.5(14) . 2_666 ?
C156 C167 C161 73.3(16) . 2_666 ?
C160 C167 C158 144(3) 2_666 2_666 ?
C159 C167 C158 52.5(17) 2_666 2_666 ?
C166 C167 C158 37.0(17) . 2_666 ?
C168 C167 C158 151.1(18) . 2_666 ?
C156 C167 C158 81.9(13) . 2_666 ?
C161 C167 C158 121.2(16) 2_666 2_666 ?
C160 C168 C161 101(5) 2_666 2_666 ?
C160 C168 C167 28(4) 2_666 . ?
C161 C168 C167 75(2) 2_666 . ?
C160 C168 C169 149(6) 2_666 . ?
C161 C168 C169 54(2) 2_666 . ?
C167 C168 C169 122(3) . . ?
C162 C169 C161 109(6) 2_666 2_666 ?
C162 C169 C170 35(4) 2_666 . ?
C161 C169 C170 83(3) 2_666 . ?
C162 C169 C168 159(7) 2_666 . ?
C161 C169 C168 49.9(19) 2_666 . ?
C170 C169 C168 129(3) . . ?
C162 C169 C160 152(7) 2_666 2_666 ?
C161 C169 C160 43.0(15) 2_666 2_666 ?
C170 C169 C160 119(3) . 2_666 ?
C168 C169 C160 9.6(18) . 2_666 ?
C162 C170 C163 93(3) 2_666 2_666 ?
C162 C170 C171 113(3) 2_666 . ?
C163 C170 C171 20(2) 2_666 . ?
C162 C170 C157 130(3) 2_666 . ?
C163 C170 C157 135(3) 2_666 . ?
C171 C170 C157 116.2(19) . . ?
C162 C170 C169 23(3) 2_666 . ?
C163 C170 C169 115(3) 2_666 . ?
C171 C170 C169 135(2) . . ?
C157 C170 C169 107(2) . . ?
C162 C170 C164 142(2) 2_666 2_666 ?
C163 C170 C164 58(2) 2_666 2_666 ?
C171 C170 C164 43.0(13) . 2_666 ?
C157 C170 C164 77.2(14) . 2_666 ?
C169 C170 C164 152(2) . 2_666 ?
C162 C170 C161 62(2) 2_666 2_666 ?
C163 C170 C161 133(3) 2_666 2_666 ?
C171 C170 C161 145.7(14) . 2_666 ?
C157 C170 C161 72.6(14) . 2_666 ?
C169 C170 C161 43.0(19) . 2_666 ?
C164 C170 C161 118.3(13) 2_666 2_666 ?
C163 C171 C164 112(6) 2_666 2_666 ?
C163 C171 C170 41(6) 2_666 . ?
C164 C171 C170 85.7(18) 2_666 . ?
C163 C171 C172 153(6) 2_666 . ?
C164 C171 C172 41.7(16) 2_666 . ?
C170 C171 C172 122(2) . . ?
C163 C171 C162 16(6) 2_666 2_666 ?
C164 C171 C162 107.6(18) 2_666 2_666 ?
C170 C171 C162 27.5(12) . 2_666 ?
C172 C171 C162 147.9(18) . 2_666 ?
C165 C172 C164 113(4) 2_666 2_666 ?
C165 C172 C158 39(3) 2_666 . ?
C164 C172 C158 77(2) 2_666 . ?
C165 C172 C171 163(4) 2_666 . ?
C164 C172 C171 51.8(18) 2_666 . ?
C158 C172 C171 124(2) . . ?
C165 C172 C163 157(4) 2_666 2_666 ?
C164 C172 C163 45.0(17) 2_666 2_666 ?
C158 C172 C163 118(2) . 2_666 ?
C171 C172 C163 6.9(17) . 2_666 ?
C65 O13 Rh3 115.6(3) . . ?
C66 O14 Rh3 115.8(3) . . ?
C68 O15 Rh4 115.1(3) . . ?
C69 O16 Rh4 115.3(3) . . ?
C76 O18 Cu3 126.1(4) . . ?
C76 O18 Cu3' 122.7(4) . . ?
C83 O19 Cu4' 127.4(4) . . ?
C83 O19 Cu4 123.8(4) . . ?
C85 O20 Cu4 125.9(4) . . ?
C85 O20 Cu4' 125.9(4) . . ?
C95 O22 Cu3 129.1(4) . . ?
C95 O22 Cu3' 121.3(4) . . ?
S1 O25 O27 68.9(5) . 2_665 ?
S1 O27 O27 69.8(6) . 2_665 ?
S1 O27 O25 168.2(8) . 2_665 ?
O27 O27 O25 106.3(9) 2_665 2_665 ?
S1 O27 S1 123.5(5) . 2_665 ?
O27 O27 S1 53.8(6) 2_665 2_665 ?
O25 O27 S1 53.7(4) 2_665 2_665 ?
S2 O28 O29 68.3(5) . 2_756 ?
S2 O29 O28 163.7(9) . 2_756 ?
S2 O29 O29 67.4(6) . 2_756 ?
O28 O29 O29 105.1(9) 2_756 2_756 ?
S2 O29 S2 121.0(6) . 2_756 ?
O28 O29 S2 53.4(4) 2_756 2_756 ?
O29 O29 S2 53.6(5) 2_756 2_756 ?
C174 O38 Cu2 118.4(6) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O6 Cu1 O5 C14 -24(2) . . . . ?
O9 Cu1 O5 C14 157.4(19) . . . . ?
O37 Cu1 O5 C14 -116(2) . . . . ?
O5 Cu1 O6 C12 20(3) . . . . ?
O10 Cu1 O6 C12 -157(3) . . . . ?
O37 Cu1 O6 C12 106(2) . . . . ?
O11' Cu2' O12' C40 10.8(16) . . . . ?
O8' Cu2' O12' C40 -177.0(17) . . . . ?
Rh1 O1 C1 C6 177.4(3) . . . . ?
Rh1 O1 C1 C2 -1.6(4) . . . . ?
Rh1 O2 C2 C3 177.2(3) . . . . ?
Rh1 O2 C2 C1 -5.3(4) . . . . ?
O1 C1 C2 O2 4.7(5) . . . . ?
C6 C1 C2 O2 -174.3(4) . . . . ?
O1 C1 C2 C3 -177.6(4) . . . . ?
C6 C1 C2 C3 3.4(6) . . . . ?
O2 C2 C3 C4 -179.2(4) . . . . ?
C1 C2 C3 C4 3.4(6) . . . . ?
O2 C2 C3 Cl1 -0.9(6) . . . . ?
C1 C2 C3 Cl1 -178.4(3) . . . . ?
Rh2 O3 C4 C3 179.9(3) . . . . ?
Rh2 O3 C4 C5 1.5(4) . . . . ?
C2 C3 C4 O3 176.3(4) . . . . ?
Cl1 C3 C4 O3 -2.0(6) . . . . ?
C2 C3 C4 C5 -5.3(6) . . . . ?
Cl1 C3 C4 C5 176.4(3) . . . . ?
Rh2 O4 C5 C6 179.4(3) . . . . ?
Rh2 O4 C5 C4 -1.2(4) . . . . ?
O3 C4 C5 O4 -0.2(5) . . . . ?
C3 C4 C5 O4 -178.7(4) . . . . ?
O3 C4 C5 C6 179.2(4) . . . . ?
C3 C4 C5 C6 0.7(6) . . . . ?
O1 C1 C6 C5 173.1(4) . . . . ?
C2 C1 C6 C5 -7.9(6) . . . . ?
O1 C1 C6 Cl2 -4.6(6) . . . . ?
C2 C1 C6 Cl2 174.4(3) . . . . ?
O4 C5 C6 C1 -174.7(4) . . . . ?
C4 C5 C6 C1 6.0(6) . . . . ?
O4 C5 C6 Cl2 3.0(6) . . . . ?
C4 C5 C6 Cl2 -176.4(3) . . . . ?
C11 N1 C7 C8 -1.8(7) . . . . ?
Rh1 N1 C7 C8 175.1(4) . . . . ?
N1 C7 C8 C9 0.7(8) . . . . ?
N1 C7 C8 C12 -179.2(5) . . . . ?
C7 C8 C9 C10 1.6(9) . . . . ?
C12 C8 C9 C10 -178.5(5) . . . . ?
C8 C9 C10 C11 -2.8(9) . . . . ?
C8 C9 C10 C19 178.1(6) . . . . ?
C7 N1 C11 C10 0.4(8) . . . . ?
Rh1 N1 C11 C10 -176.3(4) . . . . ?
C9 C10 C11 N1 1.8(9) . . . . ?
C19 C10 C11 N1 -179.2(6) . . . . ?
Cu1' O6' C12 C13 13(4) . . . . ?
Cu1' O6' C12 C8 -177.7(18) . . . . ?
Cu1 O6 C12 C13 -17(3) . . . . ?
Cu1 O6 C12 C8 170.0(16) . . . . ?
C7 C8 C12 O6' 167.2(19) . . . . ?
C9 C8 C12 O6' -13(2) . . . . ?
C7 C8 C12 O6 150.1(17) . . . . ?
C9 C8 C12 O6 -29.9(17) . . . . ?
C7 C8 C12 C13 -23.1(8) . . . . ?
C9 C8 C12 C13 157.0(6) . . . . ?
O6' C12 C13 C14 -8(2) . . . . ?
O6 C12 C13 C14 12(2) . . . . ?
C8 C12 C13 C14 -176.1(6) . . . . ?
Cu1' O5' C14 C13 -14(2) . . . . ?
Cu1' O5' C14 C15 177.7(12) . . . . ?
Cu1 O5 C14 C13 25(2) . . . . ?
Cu1 O5 C14 C15 -165.7(13) . . . . ?
C12 C13 C14 O5' 8.0(17) . . . . ?
C12 C13 C14 O5 -15.3(16) . . . . ?
C12 C13 C14 C15 176.0(8) . . . . ?
O5' C14 C15 C18 0.1(18) . . . . ?
O5 C14 C15 C18 22(2) . . . . ?
C13 C14 C15 C18 -169.3(12) . . . . ?
O5' C14 C15 C16 139.2(14) . . . . ?
O5 C14 C15 C16 160.9(15) . . . . ?
C13 C14 C15 C16 -30.1(14) . . . . ?
O5' C14 C15 C17 -112.3(15) . . . . ?
O5 C14 C15 C17 -90.6(16) . . . . ?
C13 C14 C15 C17 78.3(12) . . . . ?
Cu2' O7' C19 C20 -27.5(17) . . . . ?
Cu2' O7' C19 C10 173.5(7) . . . . ?
Cu2 O7 C19 C20 23.7(14) . . . . ?
Cu2 O7 C19 C10 -173.1(6) . . . . ?
C11 C10 C19 O7' -179.9(11) . . . . ?
C9 C10 C19 O7' -1.0(14) . . . . ?
C11 C10 C19 O7 -143.7(9) . . . . ?
C9 C10 C19 O7 35.3(11) . . . . ?
C11 C10 C19 C20 21.0(11) . . . . ?
C9 C10 C19 C20 -160.0(7) . . . . ?
O7' C19 C20 C21 22.6(15) . . . . ?
O7 C19 C20 C21 -18.0(14) . . . . ?
C10 C19 C20 C21 -179.5(7) . . . . ?
Cu2' O8' C21 C20 17.2(18) . . . . ?
Cu2' O8' C21 C22 178.3(7) . . . . ?
Cu2 O8 C21 C20 -24.6(14) . . . . ?
Cu2 O8 C21 C22 169.3(7) . . . . ?
C19 C20 C21 O8' -18.6(17) . . . . ?
C19 C20 C21 O8 16.8(13) . . . . ?
C19 C20 C21 C22 -177.7(7) . . . . ?
O8' C21 C22 C25 93.2(12) . . . . ?
O8 C21 C22 C25 61.7(11) . . . . ?
C20 C21 C22 C25 -104.3(8) . . . . ?
O8' C21 C22 C23 -142.3(12) . . . . ?
O8 C21 C22 C23 -173.8(10) . . . . ?
C20 C21 C22 C23 20.3(11) . . . . ?
O8' C21 C22 C24 -24.7(13) . . . . ?
O8 C21 C22 C24 -56.2(12) . . . . ?
C20 C21 C22 C24 137.8(8) . . . . ?
C30 N2 C26 C27 0.2(7) . . . . ?
Rh2 N2 C26 C27 172.8(4) 2_557 . . . ?
N2 C26 C27 C28 0.2(7) . . . . ?
N2 C26 C27 C31 -178.9(5) . . . . ?
C26 C27 C28 C29 -1.2(7) . . . . ?
C31 C27 C28 C29 177.9(5) . . . . ?
C27 C28 C29 C30 1.7(7) . . . . ?
C27 C28 C29 C38 -177.0(5) . . . . ?
C26 N2 C30 C29 0.4(7) . . . . ?
Rh2 N2 C30 C29 -171.9(3) 2_557 . . . ?
C28 C29 C30 N2 -1.3(7) . . . . ?
C38 C29 C30 N2 177.3(4) . . . . ?
Cu1' O10' C31 C32 -6(5) . . . . ?
Cu1' O10' C31 C27 -177(3) . . . . ?
Cu1 O10 C31 C32 20(5) . . . . ?
Cu1 O10 C31 C27 -168(2) . . . . ?
C26 C27 C31 O10' -173(3) . . . . ?
C28 C27 C31 O10' 8(3) . . . . ?
C26 C27 C31 O10 -158(2) . . . . ?
C28 C27 C31 O10 23(2) . . . . ?
C26 C27 C31 C32 15.2(8) . . . . ?
C28 C27 C31 C32 -163.9(6) . . . . ?
O10' C31 C32 C33 8(3) . . . . ?
O10 C31 C32 C33 -9(3) . . . . ?
C27 C31 C32 C33 178.7(6) . . . . ?
Cu1' O9' C33 C32 21.5(18) . . . . ?
Cu1' O9' C33 C34 -172.2(9) . . . . ?
Cu1 O9 C33 C32 -24.6(17) . . . . ?
Cu1 O9 C33 C34 168.5(9) . . . . ?
C31 C32 C33 O9' -17.4(15) . . . . ?
C31 C32 C33 O9 10.9(14) . . . . ?
C31 C32 C33 C34 177.3(7) . . . . ?
O9' C33 C34 C36 123.3(13) . . . . ?
O9 C33 C34 C36 97.6(13) . . . . ?
C32 C33 C34 C36 -69.5(12) . . . . ?
O9' C33 C34 C35 -4.5(13) . . . . ?
O9 C33 C34 C35 -30.2(13) . . . . ?
C32 C33 C34 C35 162.7(8) . . . . ?
O9' C33 C34 C37 -121.9(13) . . . . ?
O9 C33 C34 C37 -147.6(13) . . . . ?
C32 C33 C34 C37 45.3(13) . . . . ?
Cu2' O11' C38 C39 15.6(17) . . . . ?
Cu2' O11' C38 C29 179.6(7) . . . . ?
Cu2 O11 C38 C39 -17.3(14) . . . . ?
Cu2 O11 C38 C29 175.7(7) . . . . ?
C28 C29 C38 O11' 5.8(12) . . . . ?
C30 C29 C38 O11' -172.8(11) . . . . ?
C28 C29 C38 O11 -22.0(9) . . . . ?
C30 C29 C38 O11 159.4(8) . . . . ?
C28 C29 C38 C39 170.3(5) . . . . ?
C30 C29 C38 C39 -8.4(8) . . . . ?
O11' C38 C39 C40 -16.0(14) . . . . ?
O11 C38 C39 C40 15.1(12) . . . . ?
C29 C38 C39 C40 -179.0(5) . . . . ?
Cu2' O12' C40 C39 -15(2) . . . . ?
Cu2' O12' C40 C41 178.3(10) . . . . ?
Cu2 O12 C40 C39 11.4(19) . . . . ?
Cu2 O12 C40 C41 178.6(10) . . . . ?
C38 C39 C40 O12' 15.7(16) . . . . ?
C38 C39 C40 O12 -11.4(14) . . . . ?
C38 C39 C40 C41 -178.0(6) . . . . ?
O12' C40 C41 C44 -2.3(14) . . . . ?
O12 C40 C41 C44 22.4(13) . . . . ?
C39 C40 C41 C44 -170.0(7) . . . . ?
O12' C40 C41 C42 123.0(13) . . . . ?
O12 C40 C41 C42 147.7(11) . . . . ?
C39 C40 C41 C42 -44.7(9) . . . . ?
O12' C40 C41 C43 -119.3(13) . . . . ?
O12 C40 C41 C43 -94.6(11) . . . . ?
C39 C40 C41 C43 72.9(8) . . . . ?
C49 C45 C46 C47 -0.4(6) . . . . ?
C50 C45 C46 C47 178.9(6) . . . . ?
Rh1 C45 C46 C47 59.1(4) . . . . ?
C49 C45 C46 C51 -178.3(6) . . . . ?
C50 C45 C46 C51 1.0(10) . . . . ?
Rh1 C45 C46 C51 -118.7(6) . . . . ?
C49 C45 C46 Rh1 -59.6(4) . . . . ?
C50 C45 C46 Rh1 119.8(7) . . . . ?
C45 C46 C47 C48 2.7(6) . . . . ?
C51 C46 C47 C48 -179.4(6) . . . . ?
Rh1 C46 C47 C48 62.5(4) . . . . ?
C45 C46 C47 C52 179.7(6) . . . . ?
C51 C46 C47 C52 -2.5(9) . . . . ?
Rh1 C46 C47 C52 -120.6(6) . . . . ?
C45 C46 C47 Rh1 -59.8(4) . . . . ?
C51 C46 C47 Rh1 118.1(6) . . . . ?
C46 C47 C48 C49 -4.0(7) . . . . ?
C52 C47 C48 C49 179.1(6) . . . . ?
Rh1 C47 C48 C49 58.9(4) . . . . ?
C46 C47 C48 C53 179.9(6) . . . . ?
C52 C47 C48 C53 3.0(10) . . . . ?
Rh1 C47 C48 C53 -117.2(7) . . . . ?
C46 C47 C48 Rh1 -62.9(4) . . . . ?
C52 C47 C48 Rh1 120.2(6) . . . . ?
C47 C48 C49 C45 3.8(7) . . . . ?
C53 C48 C49 C45 179.6(7) . . . . ?
Rh1 C48 C49 C45 62.7(4) . . . . ?
C47 C48 C49 C54 -178.3(7) . . . . ?
C53 C48 C49 C54 -2.5(12) . . . . ?
Rh1 C48 C49 C54 -119.4(8) . . . . ?
C47 C48 C49 Rh1 -58.9(4) . . . . ?
C53 C48 C49 Rh1 116.9(7) . . . . ?
C46 C45 C49 C48 -2.1(7) . . . . ?
C50 C45 C49 C48 178.6(7) . . . . ?
Rh1 C45 C49 C48 -62.8(5) . . . . ?
C46 C45 C49 C54 -179.9(7) . . . . ?
C50 C45 C49 C54 0.7(12) . . . . ?
Rh1 C45 C49 C54 119.3(8) . . . . ?
C46 C45 C49 Rh1 60.7(4) . . . . ?
C50 C45 C49 Rh1 -118.6(7) . . . . ?
C59 C55 C56 C57 -1.2(5) . . . . ?
C60 C55 C56 C57 178.4(5) . . . . ?
Rh2 C55 C56 C57 58.7(3) . . . . ?
C59 C55 C56 C61 -176.7(5) . . . . ?
C60 C55 C56 C61 2.9(8) . . . . ?
Rh2 C55 C56 C61 -116.8(5) . . . . ?
C59 C55 C56 Rh2 -59.9(3) . . . . ?
C60 C55 C56 Rh2 119.7(5) . . . . ?
C55 C56 C57 C58 3.3(6) . . . . ?
C61 C56 C57 C58 178.9(5) . . . . ?
Rh2 C56 C57 C58 62.9(3) . . . . ?
C55 C56 C57 C62 178.3(5) . . . . ?
C61 C56 C57 C62 -6.0(8) . . . . ?
Rh2 C56 C57 C62 -122.0(6) . . . . ?
C55 C56 C57 Rh2 -59.7(3) . . . . ?
C61 C56 C57 Rh2 116.0(5) . . . . ?
C56 C57 C58 C59 -4.1(6) . . . . ?
C62 C57 C58 C59 -178.9(5) . . . . ?
Rh2 C57 C58 C59 58.8(3) . . . . ?
C56 C57 C58 C63 177.1(5) . . . . ?
C62 C57 C58 C63 2.2(9) . . . . ?
Rh2 C57 C58 C63 -120.0(5) . . . . ?
C56 C57 C58 Rh2 -62.9(3) . . . . ?
C62 C57 C58 Rh2 122.2(6) . . . . ?
C57 C58 C59 C55 3.3(5) . . . . ?
C63 C58 C59 C55 -177.8(5) . . . . ?
Rh2 C58 C59 C55 61.9(3) . . . . ?
C57 C58 C59 C64 179.7(5) . . . . ?
C63 C58 C59 C64 -1.5(9) . . . . ?
Rh2 C58 C59 C64 -121.8(5) . . . . ?
C57 C58 C59 Rh2 -58.5(3) . . . . ?
C63 C58 C59 Rh2 120.3(6) . . . . ?
C56 C55 C59 C58 -1.3(5) . . . . ?
C60 C55 C59 C58 179.1(4) . . . . ?
Rh2 C55 C59 C58 -62.4(3) . . . . ?
C56 C55 C59 C64 -177.8(5) . . . . ?
C60 C55 C59 C64 2.6(8) . . . . ?
Rh2 C55 C59 C64 121.1(5) . . . . ?
C56 C55 C59 Rh2 61.1(3) . . . . ?
C60 C55 C59 Rh2 -118.6(5) . . . . ?
O22 Cu3' O21' C97 15.2(16) . . . . ?
O17' Cu3' O21' C97 -167.4(17) . . . . ?
O23' Cu4' O24' C104 21.2(18) . . . . ?
O19 Cu4' O24' C104 -74(3) . . . . ?
O20 Cu4' O24' C104 -150(2) . . . . ?
O40 Cu4' O24' C104 114.0(17) . . . . ?
O13 C65 C66 O14 -4.1(5) . . . . ?
C70 C65 C66 O14 174.2(4) . . . . ?
O13 C65 C66 C67 176.5(4) . . . . ?
C70 C65 C66 C67 -5.1(6) . . . . ?
O14 C66 C67 C68 178.1(4) . . . . ?
C65 C66 C67 C68 -2.6(6) . . . . ?
O14 C66 C67 Cl3 0.2(6) . . . . ?
C65 C66 C67 Cl3 179.5(3) . . . . ?
C66 C67 C68 O15 -177.4(4) . . . . ?
Cl3 C67 C68 O15 0.4(6) . . . . ?
C66 C67 C68 C69 5.8(6) . . . . ?
Cl3 C67 C68 C69 -176.3(3) . . . . ?
O15 C68 C69 O16 0.4(5) . . . . ?
C67 C68 C69 O16 177.3(4) . . . . ?
O15 C68 C69 C70 -178.5(4) . . . . ?
C67 C68 C69 C70 -1.5(6) . . . . ?
O13 C65 C70 C69 -172.4(4) . . . . ?
C66 C65 C70 C69 9.5(6) . . . . ?
O13 C65 C70 Cl4 5.0(6) . . . . ?
C66 C65 C70 Cl4 -173.2(3) . . . . ?
O16 C69 C70 C65 175.0(4) . . . . ?
C68 C69 C70 C65 -6.3(6) . . . . ?
O16 C69 C70 Cl4 -2.3(6) . . . . ?
C68 C69 C70 Cl4 176.4(3) . . . . ?
C75 N3 C71 C72 -0.3(7) . . . . ?
Rh3 N3 C71 C72 173.2(4) . . . . ?
N3 C71 C72 C73 1.1(8) . . . . ?
N3 C71 C72 C76 -178.8(5) . . . . ?
C71 C72 C73 C74 -1.7(8) . . . . ?
C76 C72 C73 C74 178.2(5) . . . . ?
C72 C73 C74 C75 1.5(8) . . . . ?
C72 C73 C74 C83 -176.7(5) . . . . ?
C71 N3 C75 C74 0.0(7) . . . . ?
Rh3 N3 C75 C74 -173.1(4) . . . . ?
C73 C74 C75 N3 -0.6(7) . . . . ?
C83 C74 C75 N3 177.5(4) . . . . ?
C73 C72 C76 O18 13.4(8) . . . . ?
C71 C72 C76 O18 -166.7(5) . . . . ?
C73 C72 C76 C77 -163.5(6) . . . . ?
C71 C72 C76 C77 16.4(9) . . . . ?
O18 C76 C77 C78 3.9(13) . . . . ?
C72 C76 C77 C78 -179.5(7) . . . . ?
Cu3 O17 C78 C77 -11.3(18) . . . . ?
Cu3 O17 C78 C79 165.5(10) . . . . ?
Cu3' O17' C78 C77 25(2) . . . . ?
Cu3' O17' C78 C79' -161.7(14) . . . . ?
C76 C77 C78 O17 3.4(16) . . . . ?
C76 C77 C78 O17' -26.5(18) . . . . ?
C76 C77 C78 C79' 160.6(12) . . . . ?
C76 C77 C78 C79 -173.2(10) . . . . ?
O17 C78 C79 C81 -141.5(14) . . . . ?
C77 C78 C79 C81 35.3(18) . . . . ?
O17 C78 C79 C80 -16.7(19) . . . . ?
C77 C78 C79 C80 160.1(14) . . . . ?
O17 C78 C79 C82 103.3(16) . . . . ?
C77 C78 C79 C82 -79.9(16) . . . . ?
O17' C78 C79' C81' -161.1(18) . . . . ?
C77 C78 C79' C81' 13(2) . . . . ?
O17' C78 C79' C80' 73(2) . . . . ?
C77 C78 C79' C80' -112.8(16) . . . . ?
O17' C78 C79' C82' -44.3(19) . . . . ?
C77 C78 C79' C82' 129.4(14) . . . . ?
C73 C74 C83 O19 -7.5(7) . . . . ?
C75 C74 C83 O19 174.4(5) . . . . ?
C73 C74 C83 C84 170.6(5) . . . . ?
C75 C74 C83 C84 -7.5(8) . . . . ?
O19 C83 C84 C85 -0.6(11) . . . . ?
C74 C83 C84 C85 -178.3(6) . . . . ?
C83 C84 C85 O20 4.0(12) . . . . ?
C83 C84 C85 C86 -179.9(7) . . . . ?
O20 C85 C86 C87 -7.7(11) . . . . ?
C84 C85 C86 C87 175.8(8) . . . . ?
O20 C85 C86 C88 118.3(9) . . . . ?
C84 C85 C86 C88 -58.2(12) . . . . ?
O20 C85 C86 C89 -125.1(9) . . . . ?
C84 C85 C86 C89 58.4(11) . . . . ?
C94 N4 C90 C91 -2.6(7) . . . . ?
Rh4 N4 C90 C91 173.9(4) 2_666 . . . ?
N4 C90 C91 C92 1.4(7) . . . . ?
N4 C90 C91 C95 -177.4(5) . . . . ?
C90 C91 C92 C93 1.4(8) . . . . ?
C95 C91 C92 C93 -179.7(5) . . . . ?
C91 C92 C93 C94 -2.9(8) . . . . ?
C91 C92 C93 C102 178.3(5) . . . . ?
C90 N4 C94 C93 1.0(7) . . . . ?
Rh4 N4 C94 C93 -175.3(4) 2_666 . . . ?
C92 C93 C94 N4 1.7(7) . . . . ?
C102 C93 C94 N4 -179.5(5) . . . . ?
C90 C91 C95 O22 158.1(5) . . . . ?
C92 C91 C95 O22 -20.7(7) . . . . ?
C90 C91 C95 C96 -22.6(9) . . . . ?
C92 C91 C95 C96 158.6(6) . . . . ?
O22 C95 C96 C97 -2.0(13) . . . . ?
C91 C95 C96 C97 178.7(8) . . . . ?
Cu3' O21' C97 C96 -33(2) . . . . ?
Cu3' O21' C97 C98 177.3(11) . . . . ?
Cu3 O21 C97 C96 18.7(18) . . . . ?
Cu3 O21 C97 C98 -165.3(10) . . . . ?
C95 C96 C97 O21' 28(2) . . . . ?
C95 C96 C97 O21 -9.6(16) . . . . ?
C95 C96 C97 C98 174.5(9) . . . . ?
O21' C97 C98 C100 157.5(17) . . . . ?
O21 C97 C98 C100 -170.5(14) . . . . ?
C96 C97 C98 C100 5.6(18) . . . . ?
O21' C97 C98 C99 34.2(18) . . . . ?
O21 C97 C98 C99 66.1(16) . . . . ?
C96 C97 C98 C99 -117.7(12) . . . . ?
O21' C97 C98 C101 -71.7(17) . . . . ?
O21 C97 C98 C101 -39.8(15) . . . . ?
C96 C97 C98 C101 136.4(11) . . . . ?
Cu4 O23 C102 C103 -26.7(19) . . . . ?
Cu4 O23 C102 C93 173.5(7) . . . . ?
Cu4' O23' C102 C103 19.8(17) . . . . ?
Cu4' O23' C102 C93 -173.4(6) . . . . ?
C94 C93 C102 O23 -178.6(13) . . . . ?
C92 C93 C102 O23 0.3(14) . . . . ?
C94 C93 C102 O23' -146.6(10) . . . . ?
C92 C93 C102 O23' 32.2(12) . . . . ?
C94 C93 C102 C103 21.3(9) . . . . ?
C92 C93 C102 C103 -159.9(5) . . . . ?
O23 C102 C103 C104 20.2(16) . . . . ?
O23' C102 C103 C104 -15.6(15) . . . . ?
C93 C102 C103 C104 178.8(5) . . . . ?
Cu4 O24 C104 C103 11.8(18) . . . . ?
Cu4 O24 C104 C105 178.9(8) . . . . ?
Cu4' O24' C104 C103 -22(2) . . . . ?
Cu4' O24' C104 C105 171.4(9) . . . . ?
C102 C103 C104 O24 -12.8(15) . . . . ?
C102 C103 C104 O24' 15.2(14) . . . . ?
C102 C103 C104 C105 -178.7(6) . . . . ?
O24 C104 C105 C106 -146.9(12) . . . . ?
O24' C104 C105 C106 -172.6(13) . . . . ?
C103 C104 C105 C106 20.9(10) . . . . ?
O24 C104 C105 C107 -25.9(13) . . . . ?
O24' C104 C105 C107 -51.6(14) . . . . ?
C103 C104 C105 C107 142.0(7) . . . . ?
O24 C104 C105 C108 90.4(12) . . . . ?
O24' C104 C105 C108 64.7(13) . . . . ?
C103 C104 C105 C108 -101.8(7) . . . . ?
C113 C109 C110 C111 2.8(6) . . . . ?
C114 C109 C110 C111 179.6(5) . . . . ?
Rh4 C109 C110 C111 62.2(3) . . . . ?
C113 C109 C110 C115 -178.8(6) . . . . ?
C114 C109 C110 C115 -2.0(9) . . . . ?
Rh4 C109 C110 C115 -119.4(6) . . . . ?
C113 C109 C110 Rh4 -59.4(3) . . . . ?
C114 C109 C110 Rh4 117.4(5) . . . . ?
C109 C110 C111 C112 -1.0(6) . . . . ?
C115 C110 C111 C112 -179.6(6) . . . . ?
Rh4 C110 C111 C112 61.5(4) . . . . ?
C109 C110 C111 C116 -180.0(5) . . . . ?
C115 C110 C111 C116 1.5(9) . . . . ?
Rh4 C110 C111 C116 -117.5(6) . . . . ?
C109 C110 C111 Rh4 -62.5(3) . . . . ?
C115 C110 C111 Rh4 119.0(6) . . . . ?
C110 C111 C112 C113 -1.1(6) . . . . ?
C116 C111 C112 C113 177.8(5) . . . . ?
Rh4 C111 C112 C113 59.2(4) . . . . ?
C110 C111 C112 C117 -179.5(5) . . . . ?
C116 C111 C112 C117 -0.6(9) . . . . ?
Rh4 C111 C112 C117 -119.2(6) . . . . ?
C110 C111 C112 Rh4 -60.3(3) . . . . ?
C116 C111 C112 Rh4 118.7(6) . . . . ?
C110 C109 C113 C112 -3.6(6) . . . . ?
C114 C109 C113 C112 179.8(5) . . . . ?
Rh4 C109 C113 C112 -62.8(4) . . . . ?
C110 C109 C113 C118 -177.9(5) . . . . ?
C114 C109 C113 C118 5.4(9) . . . . ?
Rh4 C109 C113 C118 122.9(6) . . . . ?
C110 C109 C113 Rh4 59.2(3) . . . . ?
C114 C109 C113 Rh4 -117.4(6) . . . . ?
C111 C112 C113 C109 2.9(6) . . . . ?
C117 C112 C113 C109 -178.6(5) . . . . ?
Rh4 C112 C113 C109 62.7(3) . . . . ?
C111 C112 C113 C118 177.1(6) . . . . ?
C117 C112 C113 C118 -4.5(9) . . . . ?
Rh4 C112 C113 C118 -123.2(6) . . . . ?
C111 C112 C113 Rh4 -59.7(4) . . . . ?
C117 C112 C113 Rh4 118.7(6) . . . . ?
C123 C119 C120 C121 2.6(5) . . . . ?
C124 C119 C120 C121 -179.4(5) . . . . ?
Rh3 C119 C120 C121 63.0(3) . . . . ?
C123 C119 C120 C125 179.0(5) . . . . ?
C124 C119 C120 C125 -3.1(8) . . . . ?
Rh3 C119 C120 C125 -120.7(5) . . . . ?
C123 C119 C120 Rh3 -60.3(3) . . . . ?
C124 C119 C120 Rh3 117.6(5) . . . . ?
C119 C120 C121 C122 -4.1(5) . . . . ?
C125 C120 C121 C122 179.6(5) . . . . ?
Rh3 C120 C121 C122 58.7(3) . . . . ?
C119 C120 C121 C126 178.3(5) . . . . ?
C125 C120 C121 C126 2.0(9) . . . . ?
Rh3 C120 C121 C126 -118.9(5) . . . . ?
C119 C120 C121 Rh3 -62.8(3) . . . . ?
C125 C120 C121 Rh3 120.9(5) . . . . ?
C120 C121 C122 C123 4.0(5) . . . . ?
C126 C121 C122 C123 -178.4(5) . . . . ?
Rh3 C121 C122 C123 62.6(3) . . . . ?
C120 C121 C122 C127 178.3(5) . . . . ?
C126 C121 C122 C127 -4.1(9) . . . . ?
Rh3 C121 C122 C127 -123.2(6) . . . . ?
C120 C121 C122 Rh3 -58.5(3) . . . . ?
C126 C121 C122 Rh3 119.1(5) . . . . ?
C120 C119 C123 C122 -0.1(5) . . . . ?
C124 C119 C123 C122 -178.0(5) . . . . ?
Rh3 C119 C123 C122 -59.3(3) . . . . ?
C120 C119 C123 C128 177.4(5) . . . . ?
C124 C119 C123 C128 -0.5(8) . . . . ?
Rh3 C119 C123 C128 118.3(5) . . . . ?
C120 C119 C123 Rh3 59.1(3) . . . . ?
C124 C119 C123 Rh3 -118.8(5) . . . . ?
C121 C122 C123 C119 -2.4(5) . . . . ?
C127 C122 C123 C119 -176.8(5) . . . . ?
Rh3 C122 C123 C119 59.9(3) . . . . ?
C121 C122 C123 C128 -180.0(5) . . . . ?
C127 C122 C123 C128 5.6(8) . . . . ?
Rh3 C122 C123 C128 -117.7(5) . . . . ?
C121 C122 C123 Rh3 -62.3(3) . . . . ?
C127 C122 C123 Rh3 123.3(5) . . . . ?
O26 S1 C129 F3 75.1(17) . . . . ?
O27 S1 C129 F3 -164.6(16) . . . . ?
O25 S1 C129 F3 -43.4(19) . . . . ?
O27 S1 C129 F3 -104.6(17) 2_665 . . . ?
O26 S1 C129 F2 -72.0(17) . . . . ?
O27 S1 C129 F2 48.3(18) . . . . ?
O25 S1 C129 F2 169.4(15) . . . . ?
O27 S1 C129 F2 108.2(16) 2_665 . . . ?
O26 S1 C129 F1 -177.3(8) . . . . ?
O27 S1 C129 F1 -57.1(8) . . . . ?
O25 S1 C129 F1 64.1(8) . . . . ?
O27 S1 C129 F1 2.9(9) 2_665 . . . ?
O30 S2 C130 F6 -57.8(13) . . . . ?
O28 S2 C130 F6 56.8(14) . . . . ?
O29 S2 C130 F6 179.4(13) . . . . ?
O29 S2 C130 F6 117.6(13) 2_756 . . . ?
O30 S2 C130 F4 69.6(12) . . . . ?
O28 S2 C130 F4 -175.8(11) . . . . ?
O29 S2 C130 F4 -53.2(14) . . . . ?
O29 S2 C130 F4 -114.9(12) 2_756 . . . ?
O30 S2 C130 F5 -177.4(9) . . . . ?
O28 S2 C130 F5 -62.8(10) . . . . ?
O29 S2 C130 F5 59.8(10) . . . . ?
O29 S2 C130 F5 -2.0(10) 2_756 . . . ?
C138 C133 C134 C141 1(2) . . . . ?
C137 C133 C134 C141 150.5(15) . . . . ?
C136 C133 C134 C141 59.4(16) 2_557 . . . ?
C135 C133 C134 C141 84.3(17) 2_557 . . . ?
C138 C133 C134 C135 -150.2(16) . . . . ?
C137 C133 C134 C135 -0.8(15) . . . . ?
C136 C133 C134 C135 -91.8(12) 2_557 . . . ?
C135 C133 C134 C135 -66.9(13) 2_557 . . . ?
C138 C133 C134 C137 -83.9(17) . . . 2_557 ?
C137 C133 C134 C137 65.6(13) . . . 2_557 ?
C136 C133 C134 C137 -25.5(9) 2_557 . . 2_557 ?
C135 C133 C134 C137 -0.6(11) 2_557 . . 2_557 ?
C138 C133 C134 C150 -75(3) . . . 2_557 ?
C137 C133 C134 C150 75(2) . . . 2_557 ?
C136 C133 C134 C150 -16.4(19) 2_557 . . 2_557 ?
C135 C133 C134 C150 8(2) 2_557 . . 2_557 ?
C138 C133 C134 C136 -58.4(15) . . . 2_557 ?
C137 C133 C134 C136 91.0(12) . . . 2_557 ?
C135 C133 C134 C136 24.9(9) 2_557 . . 2_557 ?
C141 C134 C135 C144 7(2) . . . . ?
C133 C134 C135 C144 156.7(14) . . . . ?
C137 C134 C135 C144 65.7(14) 2_557 . . . ?
C150 C134 C135 C144 19.3(14) 2_557 . . . ?
C136 C134 C135 C144 91.8(15) 2_557 . . . ?
C141 C134 C135 C136 -151.5(16) . . . . ?
C133 C134 C135 C136 -2.0(15) . . . . ?
C137 C134 C135 C136 -92.9(12) 2_557 . . . ?
C150 C134 C135 C136 -139.3(13) 2_557 . . . ?
C136 C134 C135 C136 -66.8(13) 2_557 . . . ?
C141 C134 C135 C137 -58.5(17) . . . 2_557 ?
C133 C134 C135 C137 91.0(11) . . . 2_557 ?
C150 C134 C135 C137 -46.3(8) 2_557 . . 2_557 ?
C136 C134 C135 C137 26.1(8) 2_557 . . 2_557 ?
C141 C134 C135 C150 -12.2(17) . . . 2_557 ?
C133 C134 C135 C150 137.3(12) . . . 2_557 ?
C137 C134 C135 C150 46.3(8) 2_557 . . 2_557 ?
C136 C134 C135 C150 72.5(10) 2_557 . . 2_557 ?
C141 C134 C135 C133 -83.5(18) . . . 2_557 ?
C133 C134 C135 C133 66.0(13) . . . 2_557 ?
C137 C134 C135 C133 -25.0(9) 2_557 . . 2_557 ?
C150 C134 C135 C133 -71.3(10) 2_557 . . 2_557 ?
C136 C134 C135 C133 1.1(12) 2_557 . . 2_557 ?
C144 C135 C136 C137 -153.4(16) . . . . ?
C134 C135 C136 C137 4.2(16) . . . . ?
C137 C135 C136 C137 -66.5(15) 2_557 . . . ?
C150 C135 C136 C137 -72(2) 2_557 . . . ?
C133 C135 C136 C137 -95.6(12) 2_557 . . . ?
C144 C135 C136 C147 0(2) . . . . ?
C134 C135 C136 C147 158.0(13) . . . . ?
C137 C135 C136 C147 87.4(15) 2_557 . . . ?
C150 C135 C136 C147 81(3) 2_557 . . . ?
C133 C135 C136 C147 58.2(13) 2_557 . . . ?
C144 C135 C136 C133 -57.7(16) . . . 2_557 ?
C134 C135 C136 C133 99.8(12) . . . 2_557 ?
C137 C135 C136 C133 29.2(9) 2_557 . . 2_557 ?
C150 C135 C136 C133 23(2) 2_557 . . 2_557 ?
C144 C135 C136 C134 -83.6(18) . . . 2_557 ?
C134 C135 C136 C134 74.0(15) . . . 2_557 ?
C137 C135 C136 C134 3.3(13) 2_557 . . 2_557 ?
C150 C135 C136 C134 -3(3) 2_557 . . 2_557 ?
C133 C135 C136 C134 -25.8(9) 2_557 . . 2_557 ?
C144 C135 C136 C138 -14.2(16) . . . 2_557 ?
C134 C135 C136 C138 143.3(12) . . . 2_557 ?
C137 C135 C136 C138 72.7(10) 2_557 . . 2_557 ?
C150 C135 C136 C138 67(2) 2_557 . . 2_557 ?
C133 C135 C136 C138 43.6(8) 2_557 . . 2_557 ?
C135 C136 C137 C150 154.0(15) . . . . ?
C147 C136 C137 C150 0(2) . . . . ?
C133 C136 C137 C150 79.3(18) 2_557 . . . ?
C134 C136 C137 C150 51.9(15) 2_557 . . . ?
C138 C136 C137 C150 67(3) 2_557 . . . ?
C135 C136 C137 C133 -4.6(16) . . . . ?
C147 C136 C137 C133 -158.7(13) . . . . ?
C133 C136 C137 C133 -79.3(14) 2_557 . . . ?
C134 C136 C137 C133 -106.7(12) 2_557 . . . ?
C138 C136 C137 C133 -92(2) 2_557 . . . ?
C135 C136 C137 C135 72.6(16) . . . 2_557 ?
C147 C136 C137 C135 -81.5(16) . . . 2_557 ?
C133 C136 C137 C135 -2.2(15) 2_557 . . 2_557 ?
C134 C136 C137 C135 -29.5(10) 2_557 . . 2_557 ?
C138 C136 C137 C135 -15(3) 2_557 . . 2_557 ?
C135 C136 C137 C134 102.1(12) . . . 2_557 ?
C147 C136 C137 C134 -52.0(14) . . . 2_557 ?
C133 C136 C137 C134 27.3(10) 2_557 . . 2_557 ?
C138 C136 C137 C134 15(2) 2_557 . . 2_557 ?
C138 C133 C137 C136 152.8(14) . . . . ?
C134 C133 C137 C136 3.3(15) . . . . ?
C136 C133 C137 C136 75.9(13) 2_557 . . . ?
C135 C133 C137 C136 104.2(12) 2_557 . . . ?
C138 C133 C137 C150 -6(2) . . . . ?
C134 C133 C137 C150 -155.1(16) . . . . ?
C136 C133 C137 C150 -82.5(18) 2_557 . . . ?
C135 C133 C137 C150 -54.1(16) 2_557 . . . ?
C138 C133 C137 C135 48.6(15) . . . 2_557 ?
C134 C133 C137 C135 -101.0(11) . . . 2_557 ?
C136 C133 C137 C135 -28.4(9) 2_557 . . 2_557 ?
C138 C133 C137 C134 74.9(18) . . . 2_557 ?
C134 C133 C137 C134 -74.7(14) . . . 2_557 ?
C136 C133 C137 C134 -2.1(13) 2_557 . . 2_557 ?
C135 C133 C137 C134 26.3(9) 2_557 . . 2_557 ?
C137 C133 C138 C146 -156(4) . . . 2_557 ?
C134 C133 C138 C146 -11(5) . . . 2_557 ?
C136 C133 C138 C146 -67(4) 2_557 . . 2_557 ?
C135 C133 C138 C146 -112(4) 2_557 . . 2_557 ?
C137 C133 C138 C145 18(3) . . . 2_557 ?
C134 C133 C138 C145 163(2) . . . 2_557 ?
C136 C133 C138 C145 107(3) 2_557 . . 2_557 ?
C135 C133 C138 C145 62(2) 2_557 . . 2_557 ?
C137 C133 C138 C139 -157.8(17) . . . . ?
C134 C133 C138 C139 -13(3) . . . . ?
C136 C133 C138 C139 -69.2(17) 2_557 . . . ?
C135 C133 C138 C139 -114.2(17) 2_557 . . . ?
C137 C133 C138 C152 11(3) . . . . ?
C134 C133 C138 C152 157(2) . . . . ?
C136 C133 C138 C152 100(2) 2_557 . . . ?
C135 C133 C138 C152 55(2) 2_557 . . . ?
C137 C133 C138 C147 -131.6(15) . . . 2_557 ?
C134 C133 C138 C147 13.6(19) . . . 2_557 ?
C136 C133 C138 C147 -43.0(10) 2_557 . . 2_557 ?
C135 C133 C138 C147 -88.0(11) 2_557 . . 2_557 ?
C137 C133 C138 C144 -7.0(17) . . . 2_557 ?
C134 C133 C138 C144 138.1(15) . . . 2_557 ?
C136 C133 C138 C144 81.5(10) 2_557 . . 2_557 ?
C135 C133 C138 C144 36.5(8) 2_557 . . 2_557 ?
C137 C133 C138 C136 -88.6(15) . . . 2_557 ?
C134 C133 C138 C136 56.6(14) . . . 2_557 ?
C135 C133 C138 C136 -45.0(7) 2_557 . . 2_557 ?
C145 C138 C139 C146 1(4) 2_557 . . 2_557 ?
C133 C138 C139 C146 178(4) . . . 2_557 ?
C152 C138 C139 C146 11(5) . . . 2_557 ?
C147 C138 C139 C146 133(5) 2_557 . . 2_557 ?
C144 C138 C139 C146 52(5) 2_557 . . 2_557 ?
C136 C138 C139 C146 121(4) 2_557 . . 2_557 ?
C146 C138 C139 C147 -133(5) 2_557 . . 2_557 ?
C145 C138 C139 C147 -133(2) 2_557 . . 2_557 ?
C133 C138 C139 C147 45(2) . . . 2_557 ?
C152 C138 C139 C147 -122(3) . . . 2_557 ?
C144 C138 C139 C147 -81(3) 2_557 . . 2_557 ?
C136 C138 C139 C147 -12.2(15) 2_557 . . 2_557 ?
C146 C138 C139 C140 -161(5) 2_557 . . . ?
C145 C138 C139 C140 -160(2) 2_557 . . . ?
C133 C138 C139 C140 17(3) . . . . ?
C152 C138 C139 C140 -150(3) . . . . ?
C147 C138 C139 C140 -28(2) 2_557 . . . ?
C144 C138 C139 C140 -109(3) 2_557 . . . ?
C136 C138 C139 C140 -40(2) 2_557 . . . ?
C146 C138 C139 C148 -162(5) 2_557 . . 2_557 ?
C145 C138 C139 C148 -160.9(18) 2_557 . . 2_557 ?
C133 C138 C139 C148 16(2) . . . 2_557 ?
C152 C138 C139 C148 -151(3) . . . 2_557 ?
C147 C138 C139 C148 -28.4(15) 2_557 . . 2_557 ?
C144 C138 C139 C148 -110(3) 2_557 . . 2_557 ?
C136 C138 C139 C148 -40.6(16) 2_557 . . 2_557 ?
C146 C139 C140 C148 -43(42) 2_557 . . 2_557 ?
C147 C139 C140 C148 -47(38) 2_557 . . 2_557 ?
C138 C139 C140 C148 -8(40) . . . 2_557 ?
C146 C139 C140 C147 4(10) 2_557 . . 2_557 ?
C138 C139 C140 C147 39(3) . . . 2_557 ?
C148 C139 C140 C147 47(38) 2_557 . . 2_557 ?
C146 C139 C140 C141 -46(11) 2_557 . . . ?
C147 C139 C140 C141 -50(3) 2_557 . . . ?
C138 C139 C140 C141 -10(4) . . . . ?
C148 C139 C140 C141 -3(36) 2_557 . . . ?
C146 C139 C140 C149 -29(13) 2_557 . . 2_557 ?
C147 C139 C140 C149 -33(5) 2_557 . . 2_557 ?
C138 C139 C140 C149 6(6) . . . 2_557 ?
C148 C139 C140 C149 14(35) 2_557 . . 2_557 ?
C135 C134 C141 C149 -5(5) . . . 2_557 ?
C133 C134 C141 C149 -150(4) . . . 2_557 ?
C137 C134 C141 C149 -56(4) 2_557 . . 2_557 ?
C150 C134 C141 C149 -18(4) 2_557 . . 2_557 ?
C136 C134 C141 C149 -98(4) 2_557 . . 2_557 ?
C135 C134 C141 C148 151(3) . . . 2_557 ?
C133 C134 C141 C148 6(4) . . . 2_557 ?
C137 C134 C141 C148 100(4) 2_557 . . 2_557 ?
C150 C134 C141 C148 138(4) 2_557 . . 2_557 ?
C136 C134 C141 C148 57(3) 2_557 . . 2_557 ?
C135 C134 C141 C140 151(2) . . . . ?
C133 C134 C141 C140 6(3) . . . . ?
C137 C134 C141 C140 100(2) 2_557 . . . ?
C150 C134 C141 C140 138(2) 2_557 . . . ?
C136 C134 C141 C140 57(2) 2_557 . . . ?
C135 C134 C141 C142 -15(3) . . . . ?
C133 C134 C141 C142 -160.2(18) . . . . ?
C137 C134 C141 C142 -66.4(18) 2_557 . . . ?
C150 C134 C141 C142 -28.2(16) 2_557 . . . ?
C136 C134 C141 C142 -108.8(19) 2_557 . . . ?
C135 C134 C141 C150 13.4(19) . . . 2_557 ?
C133 C134 C141 C150 -132.0(16) . . . 2_557 ?
C137 C134 C141 C150 -38.1(10) 2_557 . . 2_557 ?
C136 C134 C141 C150 -80.6(11) 2_557 . . 2_557 ?
C135 C134 C141 C147 131.9(16) . . . 2_557 ?
C133 C134 C141 C147 -13.4(18) . . . 2_557 ?
C137 C134 C141 C147 80.4(10) 2_557 . . 2_557 ?
C150 C134 C141 C147 118.6(13) 2_557 . . 2_557 ?
C136 C134 C141 C147 38.0(10) 2_557 . . 2_557 ?
C148 C140 C141 C149 -19(8) 2_557 . . 2_557 ?
C147 C140 C141 C149 127(3) 2_557 . . 2_557 ?
C139 C140 C141 C149 161(4) . . . 2_557 ?
C147 C140 C141 C148 145(9) 2_557 . . 2_557 ?
C139 C140 C141 C148 179(10) . . . 2_557 ?
C149 C140 C141 C148 19(8) 2_557 . . 2_557 ?
C148 C140 C141 C134 180(7) 2_557 . . . ?
C147 C140 C141 C134 -35(3) 2_557 . . . ?
C139 C140 C141 C134 -1(4) . . . . ?
C149 C140 C141 C134 -162(4) 2_557 . . . ?
C148 C140 C141 C142 -18(9) 2_557 . . . ?
C147 C140 C141 C142 128(3) 2_557 . . . ?
C139 C140 C141 C142 162(3) . . . . ?
C149 C140 C141 C142 1(3) 2_557 . . . ?
C148 C140 C141 C150 -82(8) 2_557 . . 2_557 ?
C147 C140 C141 C150 64(4) 2_557 . . 2_557 ?
C139 C140 C141 C150 98(4) . . . 2_557 ?
C149 C140 C141 C150 -63(3) 2_557 . . 2_557 ?
C148 C140 C141 C147 -145(9) 2_557 . . 2_557 ?
C139 C140 C141 C147 34(2) . . . 2_557 ?
C149 C140 C141 C147 -127(3) 2_557 . . 2_557 ?
C148 C141 C142 C149 -9(7) 2_557 . . 2_557 ?
C134 C141 C142 C149 161(7) . . . 2_557 ?
C140 C141 C142 C149 -2(7) . . . 2_557 ?
C150 C141 C142 C149 119(7) 2_557 . . 2_557 ?
C147 C141 C142 C149 49(8) 2_557 . . 2_557 ?
C149 C141 C142 C150 -119(7) 2_557 . . 2_557 ?
C148 C141 C142 C150 -128(3) 2_557 . . 2_557 ?
C134 C141 C142 C150 42(2) . . . 2_557 ?
C140 C141 C142 C150 -121(3) . . . 2_557 ?
C147 C141 C142 C150 -71(4) 2_557 . . 2_557 ?
C149 C141 C142 C143 -152(8) 2_557 . . . ?
C148 C141 C142 C143 -161(3) 2_557 . . . ?
C134 C141 C142 C143 9(3) . . . . ?
C140 C141 C142 C143 -154(3) . . . . ?
C150 C141 C142 C143 -33(2) 2_557 . . . ?
C147 C141 C142 C143 -103(4) 2_557 . . . ?
C149 C141 C142 C151 -143(8) 2_557 . . 2_557 ?
C148 C141 C142 C151 -152(3) 2_557 . . 2_557 ?
C134 C141 C142 C151 18(3) . . . 2_557 ?
C140 C141 C142 C151 -145(3) . . . 2_557 ?
C150 C141 C142 C151 -24.0(14) 2_557 . . 2_557 ?
C147 C141 C142 C151 -95(4) 2_557 . . 2_557 ?
C149 C142 C143 C151 27(15) 2_557 . . 2_557 ?
C150 C142 C143 C151 10(9) 2_557 . . 2_557 ?
C141 C142 C143 C151 51(11) . . . 2_557 ?
C149 C142 C143 C150 17(9) 2_557 . . 2_557 ?
C141 C142 C143 C150 41(3) . . . 2_557 ?
C151 C142 C143 C150 -10(9) 2_557 . . 2_557 ?
C149 C142 C143 C144 -19(10) 2_557 . . . ?
C150 C142 C143 C144 -36(3) 2_557 . . . ?
C141 C142 C143 C144 5(4) . . . . ?
C151 C142 C143 C144 -46(8) 2_557 . . . ?
C149 C142 C143 C152 -2(12) 2_557 . . 2_557 ?
C150 C142 C143 C152 -18(4) 2_557 . . 2_557 ?
C141 C142 C143 C152 22(6) . . . 2_557 ?
C151 C142 C143 C152 -29(7) 2_557 . . 2_557 ?
C150 C142 C143 C149 -17(9) 2_557 . . 2_557 ?
C141 C142 C143 C149 24(7) . . . 2_557 ?
C151 C142 C143 C149 -27(15) 2_557 . . 2_557 ?
C136 C135 C144 C152 -3(5) . . . 2_557 ?
C134 C135 C144 C152 -158(4) . . . 2_557 ?
C137 C135 C144 C152 -99(4) 2_557 . . 2_557 ?
C150 C135 C144 C152 -136(4) 2_557 . . 2_557 ?
C133 C135 C144 C152 -54(4) 2_557 . . 2_557 ?
C136 C135 C144 C151 148(3) . . . 2_557 ?
C134 C135 C144 C151 -6(4) . . . 2_557 ?
C137 C135 C144 C151 53(3) 2_557 . . 2_557 ?
C150 C135 C144 C151 15(3) 2_557 . . 2_557 ?
C133 C135 C144 C151 98(3) 2_557 . . 2_557 ?
C136 C135 C144 C143 161.8(18) . . . . ?
C134 C135 C144 C143 7(2) . . . . ?
C137 C135 C144 C143 66.3(18) 2_557 . . . ?
C150 C135 C144 C143 28.6(16) 2_557 . . . ?
C133 C135 C144 C143 111.3(18) 2_557 . . . ?
C136 C135 C144 C145 -7(2) . . . . ?
C134 C135 C144 C145 -161.8(16) . . . . ?
C137 C135 C144 C145 -102.7(17) 2_557 . . . ?
C150 C135 C144 C145 -140.5(19) 2_557 . . . ?
C133 C135 C144 C145 -57.7(16) 2_557 . . . ?
C136 C135 C144 C150 133.2(16) . . . 2_557 ?
C134 C135 C144 C150 -21.4(16) . . . 2_557 ?
C137 C135 C144 C150 37.7(10) 2_557 . . 2_557 ?
C133 C135 C144 C150 82.7(10) 2_557 . . 2_557 ?
C136 C135 C144 C138 15.1(17) . . . 2_557 ?
C134 C135 C144 C138 -139.5(15) . . . 2_557 ?
C137 C135 C144 C138 -80.4(10) 2_557 . . 2_557 ?
C150 C135 C144 C138 -118.1(12) 2_557 . . 2_557 ?
C133 C135 C144 C138 -35.4(9) 2_557 . . 2_557 ?
C151 C143 C144 C152 9(6) 2_557 . . 2_557 ?
C150 C143 C144 C152 125(4) 2_557 . . 2_557 ?
C142 C143 C144 C152 154(4) . . . 2_557 ?
C149 C143 C144 C152 150(3) 2_557 . . 2_557 ?
C150 C143 C144 C151 116(6) 2_557 . . 2_557 ?
C142 C143 C144 C151 145(7) . . . 2_557 ?
C152 C143 C144 C151 -9(6) 2_557 . . 2_557 ?
C149 C143 C144 C151 141(6) 2_557 . . 2_557 ?
C151 C143 C144 C135 -157(5) 2_557 . . . ?
C150 C143 C144 C135 -42(2) 2_557 . . . ?
C142 C143 C144 C135 -13(3) . . . . ?
C152 C143 C144 C135 -167(4) 2_557 . . . ?
C149 C143 C144 C135 -17(3) 2_557 . . . ?
C151 C143 C144 C145 9(6) 2_557 . . . ?
C150 C143 C144 C145 125(3) 2_557 . . . ?
C142 C143 C144 C145 153(3) . . . . ?
C152 C143 C144 C145 0(4) 2_557 . . . ?
C149 C143 C144 C145 149(2) 2_557 . . . ?
C151 C143 C144 C150 -116(6) 2_557 . . 2_557 ?
C142 C143 C144 C150 29(2) . . . 2_557 ?
C152 C143 C144 C150 -125(4) 2_557 . . 2_557 ?
C149 C143 C144 C150 24.8(15) 2_557 . . 2_557 ?
C151 C143 C144 C138 -54(7) 2_557 . . 2_557 ?
C150 C143 C144 C138 61(4) 2_557 . . 2_557 ?
C142 C143 C144 C138 90(4) . . . 2_557 ?
C152 C143 C144 C138 -64(4) 2_557 . . 2_557 ?
C149 C143 C144 C138 86(4) 2_557 . . 2_557 ?
C151 C144 C145 C152 5(12) 2_557 . . 2_557 ?
C135 C144 C145 C152 167(12) . . . 2_557 ?
C143 C144 C145 C152 1(12) . . . 2_557 ?
C150 C144 C145 C152 68(12) 2_557 . . 2_557 ?
C138 C144 C145 C152 133(12) 2_557 . . 2_557 ?
C152 C144 C145 C138 -133(12) 2_557 . . 2_557 ?
C151 C144 C145 C138 -128(2) 2_557 . . 2_557 ?
C135 C144 C145 C138 34(2) . . . 2_557 ?
C143 C144 C145 C138 -132(3) . . . 2_557 ?
C150 C144 C145 C138 -65(3) 2_557 . . 2_557 ?
C152 C144 C145 C146 -163(13) 2_557 . . . ?
C151 C144 C145 C146 -158(2) 2_557 . . . ?
C135 C144 C145 C146 4(3) . . . . ?
C143 C144 C145 C146 -162(3) . . . . ?
C150 C144 C145 C146 -95(3) 2_557 . . . ?
C138 C144 C145 C146 -30.0(18) 2_557 . . . ?
C152 C144 C145 C151 -5(12) 2_557 . . 2_557 ?
C135 C144 C145 C151 162(3) . . . 2_557 ?
C143 C144 C145 C151 -4(3) . . . 2_557 ?
C150 C144 C145 C151 63(3) 2_557 . . 2_557 ?
C138 C144 C145 C151 128(2) 2_557 . . 2_557 ?
C152 C145 C146 C139 31(18) 2_557 . . 2_557 ?
C138 C145 C146 C139 -2(11) 2_557 . . 2_557 ?
C144 C145 C146 C139 42(13) . . . 2_557 ?
C151 C145 C146 C139 22(14) 2_557 . . 2_557 ?
C152 C145 C146 C138 33(10) 2_557 . . 2_557 ?
C144 C145 C146 C138 44(3) . . . 2_557 ?
C151 C145 C146 C138 24(4) 2_557 . . 2_557 ?
C152 C145 C146 C147 -5(11) 2_557 . . . ?
C138 C145 C146 C147 -38(2) 2_557 . . . ?
C144 C145 C146 C147 6(4) . . . . ?
C151 C145 C146 C147 -14(5) 2_557 . . . ?
C138 C145 C146 C152 -33(10) 2_557 . . 2_557 ?
C144 C145 C146 C152 11(9) . . . 2_557 ?
C151 C145 C146 C152 -9(8) 2_557 . . 2_557 ?
C139 C146 C147 C140 -2(5) 2_557 . . 2_557 ?
C138 C146 C147 C140 129(3) 2_557 . . 2_557 ?
C145 C146 C147 C140 161(3) . . . 2_557 ?
C152 C146 C147 C140 160(3) 2_557 . . 2_557 ?
C138 C146 C147 C139 131(5) 2_557 . . 2_557 ?
C145 C146 C147 C139 162(5) . . . 2_557 ?
C152 C146 C147 C139 161(5) 2_557 . . 2_557 ?
C139 C146 C147 C148 -7(5) 2_557 . . . ?
C138 C146 C147 C148 125(3) 2_557 . . . ?
C145 C146 C147 C148 156(2) . . . . ?
C152 C146 C147 C148 155(2) 2_557 . . . ?
C139 C146 C147 C136 -174(4) 2_557 . . . ?
C138 C146 C147 C136 -43(2) 2_557 . . . ?
C145 C146 C147 C136 -12(3) . . . . ?
C152 C146 C147 C136 -13(2) 2_557 . . . ?
C139 C146 C147 C138 -131(5) 2_557 . . 2_557 ?
C145 C146 C147 C138 31.1(19) . . . 2_557 ?
C152 C146 C147 C138 30.1(18) 2_557 . . 2_557 ?
C139 C146 C147 C141 -63(5) 2_557 . . 2_557 ?
C138 C146 C147 C141 68(4) 2_557 . . 2_557 ?
C145 C146 C147 C141 99(4) . . . 2_557 ?
C152 C146 C147 C141 98(4) 2_557 . . 2_557 ?
C137 C136 C147 C140 -10(4) . . . 2_557 ?
C135 C136 C147 C140 -161(3) . . . 2_557 ?
C133 C136 C147 C140 -105(3) 2_557 . . 2_557 ?
C134 C136 C147 C140 -58(3) 2_557 . . 2_557 ?
C138 C136 C147 C140 -144(4) 2_557 . . 2_557 ?
C137 C136 C147 C139 156(3) . . . 2_557 ?
C135 C136 C147 C139 5(4) . . . 2_557 ?
C133 C136 C147 C139 62(3) 2_557 . . 2_557 ?
C134 C136 C147 C139 108(3) 2_557 . . 2_557 ?
C138 C136 C147 C139 23(3) 2_557 . . 2_557 ?
C137 C136 C147 C148 -10(2) . . . . ?
C135 C136 C147 C148 -161.1(17) . . . . ?
C133 C136 C147 C148 -104.4(17) 2_557 . . . ?
C134 C136 C147 C148 -57.8(16) 2_557 . . . ?
C138 C136 C147 C148 -143(2) 2_557 . . . ?
C137 C136 C147 C146 160.1(17) . . . . ?
C135 C136 C147 C146 9(2) . . . . ?
C133 C136 C147 C146 65.8(15) 2_557 . . . ?
C134 C136 C147 C146 112.3(16) 2_557 . . . ?
C138 C136 C147 C146 26.9(14) 2_557 . . . ?
C137 C136 C147 C138 133.2(16) . . . 2_557 ?
C135 C136 C147 C138 -17.8(17) . . . 2_557 ?
C133 C136 C147 C138 38.9(10) 2_557 . . 2_557 ?
C134 C136 C147 C138 85.4(11) 2_557 . . 2_557 ?
C137 C136 C147 C141 12.7(16) . . . 2_557 ?
C135 C136 C147 C141 -138.3(15) . . . 2_557 ?
C133 C136 C147 C141 -81.6(10) 2_557 . . 2_557 ?
C134 C136 C147 C141 -35.0(9) 2_557 . . 2_557 ?
C138 C136 C147 C141 -120.4(13) 2_557 . . 2_557 ?
C139 C147 C148 C140 10(9) 2_557 . . 2_557 ?
C146 C147 C148 C140 13(9) . . . 2_557 ?
C136 C147 C148 C140 -179(8) . . . 2_557 ?
C138 C147 C148 C140 75(9) 2_557 . . 2_557 ?
C141 C147 C148 C140 142(10) 2_557 . . 2_557 ?
C140 C147 C148 C141 -142(10) 2_557 . . 2_557 ?
C139 C147 C148 C141 -132(2) 2_557 . . 2_557 ?
C146 C147 C148 C141 -128(3) . . . 2_557 ?
C136 C147 C148 C141 39(3) . . . 2_557 ?
C138 C147 C148 C141 -67(4) 2_557 . . 2_557 ?
C140 C147 C148 C149 -170(10) 2_557 . . . ?
C139 C147 C148 C149 -160(3) 2_557 . . . ?
C146 C147 C148 C149 -157(3) . . . . ?
C136 C147 C148 C149 11(3) . . . . ?
C138 C147 C148 C149 -95(4) 2_557 . . . ?
C141 C147 C148 C149 -28(2) 2_557 . . . ?
C140 C147 C148 C139 -10(9) 2_557 . . 2_557 ?
C146 C147 C148 C139 3(2) . . . 2_557 ?
C136 C147 C148 C139 171(3) . . . 2_557 ?
C138 C147 C148 C139 64(3) 2_557 . . 2_557 ?
C141 C147 C148 C139 132(2) 2_557 . . 2_557 ?
C140 C148 C149 C141 36(15) 2_557 . . 2_557 ?
C147 C148 C149 C141 49(3) . . . 2_557 ?
C139 C148 C149 C141 31(5) 2_557 . . 2_557 ?
C140 C148 C149 C150 -15(16) 2_557 . . . ?
C141 C148 C149 C150 -51(4) 2_557 . . . ?
C147 C148 C149 C150 -2(5) . . . . ?
C139 C148 C149 C150 -20(6) 2_557 . . . ?
C141 C148 C149 C140 -36(15) 2_557 . . 2_557 ?
C147 C148 C149 C140 13(13) . . . 2_557 ?
C139 C148 C149 C140 -5(12) 2_557 . . 2_557 ?
C140 C148 C149 C143 9(20) 2_557 . . 2_557 ?
C141 C148 C149 C143 -26(7) 2_557 . . 2_557 ?
C147 C148 C149 C143 22(9) . . . 2_557 ?
C139 C148 C149 C143 5(11) 2_557 . . 2_557 ?
C136 C137 C150 C142 11(4) . . . 2_557 ?
C133 C137 C150 C142 166(3) . . . 2_557 ?
C135 C137 C150 C142 112(4) 2_557 . . 2_557 ?
C134 C137 C150 C142 64(4) 2_557 . . 2_557 ?
C136 C137 C150 C143 -161(4) . . . 2_557 ?
C133 C137 C150 C143 -6(5) . . . 2_557 ?
C135 C137 C150 C143 -60(4) 2_557 . . 2_557 ?
C134 C137 C150 C143 -108(4) 2_557 . . 2_557 ?
C136 C137 C150 C149 8(3) . . . . ?
C133 C137 C150 C149 163(2) . . . . ?
C135 C137 C150 C149 109(2) 2_557 . . . ?
C134 C137 C150 C149 61(2) 2_557 . . . ?
C136 C137 C150 C151 -166.6(17) . . . . ?
C133 C137 C150 C151 -12(3) . . . . ?
C135 C137 C150 C151 -65.6(17) 2_557 . . . ?
C134 C137 C150 C151 -113.8(18) 2_557 . . . ?
C136 C137 C150 C144 -140.3(15) . . . 2_557 ?
C133 C137 C150 C144 14.8(19) . . . 2_557 ?
C135 C137 C150 C144 -39.3(10) 2_557 . . 2_557 ?
C134 C137 C150 C144 -87.5(11) 2_557 . . 2_557 ?
C136 C137 C150 C141 -13(2) . . . 2_557 ?
C133 C137 C150 C141 141.7(17) . . . 2_557 ?
C135 C137 C150 C141 87.7(13) 2_557 . . 2_557 ?
C134 C137 C150 C141 39.4(12) 2_557 . . 2_557 ?
C136 C137 C150 C134 -52.8(15) . . . 2_557 ?
C133 C137 C150 C134 102.3(16) . . . 2_557 ?
C135 C137 C150 C134 48.3(7) 2_557 . . 2_557 ?
C136 C137 C150 C135 -101.0(16) . . . 2_557 ?
C133 C137 C150 C135 54.0(15) . . . 2_557 ?
C134 C137 C150 C135 -48.3(7) 2_557 . . 2_557 ?
C141 C149 C150 C142 138(6) 2_557 . . 2_557 ?
C148 C149 C150 C142 175(7) . . . 2_557 ?
C140 C149 C150 C142 173(6) 2_557 . . 2_557 ?
C143 C149 C150 C142 9(5) 2_557 . . 2_557 ?
C142 C149 C150 C143 -9(5) 2_557 . . 2_557 ?
C141 C149 C150 C143 129(3) 2_557 . . 2_557 ?
C148 C149 C150 C143 166(3) . . . 2_557 ?
C140 C149 C150 C143 164(3) 2_557 . . 2_557 ?
C142 C149 C150 C137 177(4) 2_557 . . . ?
C141 C149 C150 C137 -45(3) 2_557 . . . ?
C148 C149 C150 C137 -8(4) . . . . ?
C140 C149 C150 C137 -10(3) 2_557 . . . ?
C143 C149 C150 C137 -174(3) 2_557 . . . ?
C142 C149 C150 C151 -9(6) 2_557 . . . ?
C141 C149 C150 C151 129(3) 2_557 . . . ?
C148 C149 C150 C151 167(3) . . . . ?
C140 C149 C150 C151 164(2) 2_557 . . . ?
C143 C149 C150 C151 0(3) 2_557 . . . ?
C142 C149 C150 C144 -61(6) 2_557 . . 2_557 ?
C141 C149 C150 C144 76(4) 2_557 . . 2_557 ?
C148 C149 C150 C144 114(4) . . . 2_557 ?
C140 C149 C150 C144 111(3) 2_557 . . 2_557 ?
C143 C149 C150 C144 -52(3) 2_557 . . 2_557 ?
C142 C149 C150 C141 -138(6) 2_557 . . 2_557 ?
C148 C149 C150 C141 38(3) . . . 2_557 ?
C140 C149 C150 C141 35(2) 2_557 . . 2_557 ?
C143 C149 C150 C141 -129(3) 2_557 . . 2_557 ?
C142 C149 C150 C134 -127(5) 2_557 . . 2_557 ?
C141 C149 C150 C134 11(3) 2_557 . . 2_557 ?
C148 C149 C150 C134 49(3) . . . 2_557 ?
C140 C149 C150 C134 46(2) 2_557 . . 2_557 ?
C143 C149 C150 C134 -118(2) 2_557 . . 2_557 ?
C142 C149 C150 C135 -111(5) 2_557 . . 2_557 ?
C141 C149 C150 C135 26(3) 2_557 . . 2_557 ?
C148 C149 C150 C135 64(4) . . . 2_557 ?
C140 C149 C150 C135 61(3) 2_557 . . 2_557 ?
C143 C149 C150 C135 -102(2) 2_557 . . 2_557 ?
C142 C150 C151 C143 -5(5) 2_557 . . 2_557 ?
C137 C150 C151 C143 173(4) . . . 2_557 ?
C149 C150 C151 C143 -1(5) . . . 2_557 ?
C144 C150 C151 C143 126(5) 2_557 . . 2_557 ?
C141 C150 C151 C143 42(6) 2_557 . . 2_557 ?
C134 C150 C151 C143 96(4) 2_557 . . 2_557 ?
C135 C150 C151 C143 117(4) 2_557 . . 2_557 ?
C142 C150 C151 C144 -131(2) 2_557 . . 2_557 ?
C143 C150 C151 C144 -126(5) 2_557 . . 2_557 ?
C137 C150 C151 C144 47(2) . . . 2_557 ?
C149 C150 C151 C144 -127(3) . . . 2_557 ?
C141 C150 C151 C144 -84(4) 2_557 . . 2_557 ?
C134 C150 C151 C144 -30(3) 2_557 . . 2_557 ?
C135 C150 C151 C144 -8.7(17) 2_557 . . 2_557 ?
C142 C150 C151 C152 -159(3) 2_557 . . . ?
C143 C150 C151 C152 -153(6) 2_557 . . . ?
C137 C150 C151 C152 20(3) . . . . ?
C149 C150 C151 C152 -154(3) . . . . ?
C144 C150 C151 C152 -27(2) 2_557 . . . ?
C141 C150 C151 C152 -111(4) 2_557 . . . ?
C134 C150 C151 C152 -57(3) 2_557 . . . ?
C135 C150 C151 C152 -36(3) 2_557 . . . ?
C142 C150 C151 C145 -161(2) 2_557 . . 2_557 ?
C143 C150 C151 C145 -156(5) 2_557 . . 2_557 ?
C137 C150 C151 C145 17(3) . . . 2_557 ?
C149 C150 C151 C145 -157(2) . . . 2_557 ?
C144 C150 C151 C145 -30.1(14) 2_557 . . 2_557 ?
C141 C150 C151 C145 -114(3) 2_557 . . 2_557 ?
C134 C150 C151 C145 -60(2) 2_557 . . 2_557 ?
C135 C150 C151 C145 -38.8(16) 2_557 . . 2_557 ?
C143 C150 C151 C142 5(5) 2_557 . . 2_557 ?
C137 C150 C151 C142 178(3) . . . 2_557 ?
C149 C150 C151 C142 5(3) . . . 2_557 ?
C144 C150 C151 C142 131(2) 2_557 . . 2_557 ?
C141 C150 C151 C142 48(3) 2_557 . . 2_557 ?
C134 C150 C151 C142 101(2) 2_557 . . 2_557 ?
C135 C150 C151 C142 123(2) 2_557 . . 2_557 ?
C143 C151 C152 C144 -17(12) 2_557 . . 2_557 ?
C150 C151 C152 C144 44(3) . . . 2_557 ?
C145 C151 C152 C144 161(42) 2_557 . . 2_557 ?
C142 C151 C152 C144 22(5) 2_557 . . 2_557 ?
C143 C151 C152 C138 -76(13) 2_557 . . . ?
C144 C151 C152 C138 -58(4) 2_557 . . . ?
C150 C151 C152 C138 -14(5) . . . . ?
C145 C151 C152 C138 103(41) 2_557 . . . ?
C142 C151 C152 C138 -37(7) 2_557 . . . ?
C143 C151 C152 C146 -63(16) 2_557 . . 2_557 ?
C144 C151 C152 C146 -46(8) 2_557 . . 2_557 ?
C150 C151 C152 C146 -2(10) . . . 2_557 ?
C145 C151 C152 C146 115(44) 2_557 . . 2_557 ?
C142 C151 C152 C146 -24(12) 2_557 . . 2_557 ?
C144 C151 C152 C143 17(12) 2_557 . . 2_557 ?
C150 C151 C152 C143 61(11) . . . 2_557 ?
C145 C151 C152 C143 179(100) 2_557 . . 2_557 ?
C142 C151 C152 C143 39(10) 2_557 . . 2_557 ?
C146 C138 C152 C145 -19(6) 2_557 . . 2_557 ?
C133 C138 C152 C145 168(5) . . . 2_557 ?
C139 C138 C152 C145 -25(7) . . . 2_557 ?
C147 C138 C152 C145 -80(7) 2_557 . . 2_557 ?
C144 C138 C152 C145 -153(8) 2_557 . . 2_557 ?
C136 C138 C152 C145 -125(6) 2_557 . . 2_557 ?
C146 C138 C152 C144 133(3) 2_557 . . 2_557 ?
C145 C138 C152 C144 153(9) 2_557 . . 2_557 ?
C133 C138 C152 C144 -39(4) . . . 2_557 ?
C139 C138 C152 C144 128(3) . . . 2_557 ?
C147 C138 C152 C144 73(4) 2_557 . . 2_557 ?
C136 C138 C152 C144 28(4) 2_557 . . 2_557 ?
C146 C138 C152 C151 172(4) 2_557 . . . ?
C145 C138 C152 C151 -169(9) 2_557 . . . ?
C133 C138 C152 C151 -1(5) . . . . ?
C139 C138 C152 C151 166(3) . . . . ?
C147 C138 C152 C151 111(4) 2_557 . . . ?
C144 C138 C152 C151 38(3) 2_557 . . . ?
C136 C138 C152 C151 66(4) 2_557 . . . ?
C145 C138 C152 C146 19(6) 2_557 . . 2_557 ?
C133 C138 C152 C146 -173(3) . . . 2_557 ?
C139 C138 C152 C146 -5(2) . . . 2_557 ?
C147 C138 C152 C146 -61(3) 2_557 . . 2_557 ?
C144 C138 C152 C146 -133(3) 2_557 . . 2_557 ?
C136 C138 C152 C146 -106(2) 2_557 . . 2_557 ?
C146 C138 C152 C143 162(3) 2_557 . . 2_557 ?
C145 C138 C152 C143 -179(9) 2_557 . . 2_557 ?
C133 C138 C152 C143 -11(4) . . . 2_557 ?
C139 C138 C152 C143 156(3) . . . 2_557 ?
C147 C138 C152 C143 101(4) 2_557 . . 2_557 ?
C144 C138 C152 C143 28.4(18) 2_557 . . 2_557 ?
C136 C138 C152 C143 56(4) 2_557 . . 2_557 ?
C157 C153 C154 C161 156.0(13) . . . . ?
C158 C153 C154 C161 1(2) . . . . ?
C155 C153 C154 C161 81.9(16) 2_666 . . . ?
C156 C153 C154 C161 52.3(13) 2_666 . . . ?
C164 C153 C154 C161 70(3) 2_666 . . . ?
C157 C153 C154 C155 -1.4(15) . . . . ?
C158 C153 C154 C155 -156.7(13) . . . . ?
C155 C153 C154 C155 -75.4(14) 2_666 . . . ?
C156 C153 C154 C155 -105.1(12) 2_666 . . . ?
C164 C153 C154 C155 -88(3) 2_666 . . . ?
C157 C153 C154 C156 103.7(12) . . . 2_666 ?
C158 C153 C154 C156 -51.6(14) . . . 2_666 ?
C155 C153 C154 C156 29.6(10) 2_666 . . 2_666 ?
C164 C153 C154 C156 17(3) 2_666 . . 2_666 ?
C157 C153 C154 C157 72.3(16) . . . 2_666 ?
C158 C153 C154 C157 -83.0(16) . . . 2_666 ?
C155 C153 C154 C157 -1.8(15) 2_666 . . 2_666 ?
C156 C153 C154 C157 -31.4(10) 2_666 . . 2_666 ?
C164 C153 C154 C157 -14(3) 2_666 . . 2_666 ?
C161 C154 C155 C164 -4(2) . . . . ?
C153 C154 C155 C164 152.3(14) . . . . ?
C156 C154 C155 C164 75.6(17) 2_666 . . . ?
C157 C154 C155 C164 46.7(15) 2_666 . . . ?
C161 C154 C155 C156 -156.1(14) . . . . ?
C153 C154 C155 C156 0.2(15) . . . . ?
C156 C154 C155 C156 -76.5(13) 2_666 . . . ?
C157 C154 C155 C156 -105.4(11) 2_666 . . . ?
C161 C154 C155 C153 -82.4(17) . . . 2_666 ?
C153 C154 C155 C153 73.9(13) . . . 2_666 ?
C156 C154 C155 C153 -2.7(13) 2_666 . . 2_666 ?
C157 C154 C155 C153 -31.6(9) 2_666 . . 2_666 ?
C161 C154 C155 C157 -50.7(15) . . . 2_666 ?
C153 C154 C155 C157 105.5(12) . . . 2_666 ?
C156 C154 C155 C157 28.9(10) 2_666 . . 2_666 ?
C161 C154 C155 C158 -70(3) . . . 2_666 ?
C153 C154 C155 C158 86(2) . . . 2_666 ?
C156 C154 C155 C158 9(3) 2_666 . . 2_666 ?
C157 C154 C155 C158 -19(2) 2_666 . . 2_666 ?
C164 C155 C156 C167 0(3) . . . . ?
C154 C155 C156 C167 151.6(14) . . . . ?
C153 C155 C156 C167 56.6(15) 2_666 . . . ?
C157 C155 C156 C167 84.7(17) 2_666 . . . ?
C158 C155 C156 C167 6.9(15) 2_666 . . . ?
C164 C155 C156 C157 -150.2(16) . . . . ?
C154 C155 C156 C157 1.1(15) . . . . ?
C153 C155 C156 C157 -94.0(12) 2_666 . . . ?
C157 C155 C156 C157 -65.8(14) 2_666 . . . ?
C158 C155 C156 C157 -143.6(12) 2_666 . . . ?
C164 C155 C156 C154 -84.0(19) . . . 2_666 ?
C154 C155 C156 C154 67.3(12) . . . 2_666 ?
C153 C155 C156 C154 -27.7(9) 2_666 . . 2_666 ?
C157 C155 C156 C154 0.4(13) 2_666 . . 2_666 ?
C158 C155 C156 C154 -77.4(10) 2_666 . . 2_666 ?
C164 C155 C156 C161 -71(3) . . . 2_666 ?
C154 C155 C156 C161 80(2) . . . 2_666 ?
C153 C155 C156 C161 -15(2) 2_666 . . 2_666 ?
C157 C155 C156 C161 13(3) 2_666 . . 2_666 ?
C158 C155 C156 C161 -65(2) 2_666 . . 2_666 ?
C164 C155 C156 C153 -56.3(16) . . . 2_666 ?
C154 C155 C156 C153 95.0(12) . . . 2_666 ?
C157 C155 C156 C153 28.1(9) 2_666 . . 2_666 ?
C158 C155 C156 C153 -49.7(8) 2_666 . . 2_666 ?
C154 C153 C157 C170 -154.2(14) . . . . ?
C158 C153 C157 C170 1(2) . . . . ?
C155 C153 C157 C170 -58.2(15) 2_666 . . . ?
C156 C153 C157 C170 -86.8(16) 2_666 . . . ?
C164 C153 C157 C170 -9.6(14) 2_666 . . . ?
C154 C153 C157 C156 2.0(16) . . . . ?
C158 C153 C157 C156 157.4(13) . . . . ?
C155 C153 C157 C156 98.0(12) 2_666 . . . ?
C156 C153 C157 C156 69.4(15) 2_666 . . . ?
C164 C153 C157 C156 146.7(12) 2_666 . . . ?
C154 C153 C157 C154 -64.2(15) . . . 2_666 ?
C158 C153 C157 C154 91.1(15) . . . 2_666 ?
C155 C153 C157 C154 31.8(9) 2_666 . . 2_666 ?
C156 C153 C157 C154 3.2(13) 2_666 . . 2_666 ?
C164 C153 C157 C154 80.4(10) 2_666 . . 2_666 ?
C154 C153 C157 C155 -96.0(12) . . . 2_666 ?
C158 C153 C157 C155 59.4(14) . . . 2_666 ?
C156 C153 C157 C155 -28.6(10) 2_666 . . 2_666 ?
C164 C153 C157 C155 48.7(7) 2_666 . . 2_666 ?
C154 C153 C157 C161 -67(3) . . . 2_666 ?
C158 C153 C157 C161 88(3) . . . 2_666 ?
C155 C153 C157 C161 29(2) 2_666 . . 2_666 ?
C156 C153 C157 C161 0(3) 2_666 . . 2_666 ?
C164 C153 C157 C161 77(2) 2_666 . . 2_666 ?
C154 C153 C157 C164 -144.7(13) . . . 2_666 ?
C158 C153 C157 C164 10.7(13) . . . 2_666 ?
C155 C153 C157 C164 -48.7(7) 2_666 . . 2_666 ?
C156 C153 C157 C164 -77.3(11) 2_666 . . 2_666 ?
C167 C156 C157 C170 6(2) . . . . ?
C155 C156 C157 C170 154.2(14) . . . . ?
C154 C156 C157 C170 64.7(14) 2_666 . . . ?
C161 C156 C157 C170 16.2(14) 2_666 . . . ?
C153 C156 C157 C170 92.6(16) 2_666 . . . ?
C167 C156 C157 C153 -149.7(15) . . . . ?
C155 C156 C157 C153 -1.9(15) . . . . ?
C154 C156 C157 C153 -91.4(11) 2_666 . . . ?
C161 C156 C157 C153 -139.8(12) 2_666 . . . ?
C153 C156 C157 C153 -63.4(14) 2_666 . . . ?
C167 C156 C157 C154 -58.4(16) . . . 2_666 ?
C155 C156 C157 C154 89.5(11) . . . 2_666 ?
C161 C156 C157 C154 -48.5(7) 2_666 . . 2_666 ?
C153 C156 C157 C154 27.9(9) 2_666 . . 2_666 ?
C167 C156 C157 C155 -85.8(18) . . . 2_666 ?
C155 C156 C157 C155 62.0(14) . . . 2_666 ?
C154 C156 C157 C155 -27.4(9) 2_666 . . 2_666 ?
C161 C156 C157 C155 -75.9(10) 2_666 . . 2_666 ?
C153 C156 C157 C155 0.5(13) 2_666 . . 2_666 ?
C167 C156 C157 C161 -9.9(15) . . . 2_666 ?
C155 C156 C157 C161 138.0(12) . . . 2_666 ?
C154 C156 C157 C161 48.5(7) 2_666 . . 2_666 ?
C153 C156 C157 C161 76.4(10) 2_666 . . 2_666 ?
C167 C156 C157 C164 -78(3) . . . 2_666 ?
C155 C156 C157 C164 70(3) . . . 2_666 ?
C154 C156 C157 C164 -20(3) 2_666 . . 2_666 ?
C161 C156 C157 C164 -68(3) 2_666 . . 2_666 ?
C153 C156 C157 C164 8(3) 2_666 . . 2_666 ?
C154 C153 C158 C165 170(3) . . . 2_666 ?
C157 C153 C158 C165 17(4) . . . 2_666 ?
C155 C153 C158 C165 74(3) 2_666 . . 2_666 ?
C156 C153 C158 C165 124(3) 2_666 . . 2_666 ?
C164 C153 C158 C165 30(3) 2_666 . . 2_666 ?
C154 C153 C158 C166 -18(4) . . . 2_666 ?
C157 C153 C158 C166 -170(3) . . . 2_666 ?
C155 C153 C158 C166 -114(3) 2_666 . . 2_666 ?
C156 C153 C158 C166 -63(3) 2_666 . . 2_666 ?
C164 C153 C158 C166 -158(3) 2_666 . . 2_666 ?
C154 C153 C158 C159 -10(3) . . . . ?
C157 C153 C158 C159 -162(2) . . . . ?
C155 C153 C158 C159 -106(2) 2_666 . . . ?
C156 C153 C158 C159 -55(2) 2_666 . . . ?
C164 C153 C158 C159 -150(2) 2_666 . . . ?
C154 C153 C158 C172 161.0(17) . . . . ?
C157 C153 C158 C172 9(2) . . . . ?
C155 C153 C158 C172 65.5(16) 2_666 . . . ?
C156 C153 C158 C172 115.5(17) 2_666 . . . ?
C164 C153 C158 C172 21.5(15) 2_666 . . . ?
C154 C153 C158 C164 139.5(15) . . . 2_666 ?
C157 C153 C158 C164 -12.9(16) . . . 2_666 ?
C155 C153 C158 C164 44.0(9) 2_666 . . 2_666 ?
C156 C153 C158 C164 94.0(11) 2_666 . . 2_666 ?
C154 C153 C158 C167 7.1(16) . . . 2_666 ?
C157 C153 C158 C167 -145.3(14) . . . 2_666 ?
C155 C153 C158 C167 -88.4(10) 2_666 . . 2_666 ?
C156 C153 C158 C167 -38.4(10) 2_666 . . 2_666 ?
C164 C153 C158 C167 -132.4(13) 2_666 . . 2_666 ?
C154 C153 C158 C155 95.5(14) . . . 2_666 ?
C157 C153 C158 C155 -56.9(13) . . . 2_666 ?
C156 C153 C158 C155 50.0(8) 2_666 . . 2_666 ?
C164 C153 C158 C155 -44.0(9) 2_666 . . 2_666 ?
C165 C158 C159 C166 19(11) 2_666 . . 2_666 ?
C172 C158 C159 C166 31(11) . . . 2_666 ?
C153 C158 C159 C166 -161(10) . . . 2_666 ?
C164 C158 C159 C166 95(11) 2_666 . . 2_666 ?
C167 C158 C159 C166 168(12) 2_666 . . 2_666 ?
C155 C158 C159 C166 137(10) 2_666 . . 2_666 ?
C165 C158 C159 C167 -149(3) 2_666 . . 2_666 ?
C166 C158 C159 C167 -168(12) 2_666 . . 2_666 ?
C172 C158 C159 C167 -137(3) . . . 2_666 ?
C153 C158 C159 C167 31(3) . . . 2_666 ?
C164 C158 C159 C167 -73(5) 2_666 . . 2_666 ?
C155 C158 C159 C167 -31(3) 2_666 . . 2_666 ?
C165 C158 C159 C160 -169(4) 2_666 . . . ?
C166 C158 C159 C160 172(13) 2_666 . . . ?
C172 C158 C159 C160 -157(3) . . . . ?
C153 C158 C159 C160 11(4) . . . . ?
C164 C158 C159 C160 -93(6) 2_666 . . . ?
C167 C158 C159 C160 -20(3) 2_666 . . . ?
C155 C158 C159 C160 -51(4) 2_666 . . . ?
C166 C158 C159 C165 -19(11) 2_666 . . 2_666 ?
C172 C158 C159 C165 12(3) . . . 2_666 ?
C153 C158 C159 C165 180(3) . . . 2_666 ?
C164 C158 C159 C165 76(5) 2_666 . . 2_666 ?
C167 C158 C159 C165 149(3) 2_666 . . 2_666 ?
C155 C158 C159 C165 118(3) 2_666 . . 2_666 ?
C166 C159 C160 C168 -12(54) 2_666 . . 2_666 ?
C167 C159 C160 C168 -67(30) 2_666 . . 2_666 ?
C158 C159 C160 C168 -32(33) . . . 2_666 ?
C165 C159 C160 C168 -44(35) 2_666 . . 2_666 ?
C166 C159 C160 C167 54(33) 2_666 . . 2_666 ?
C158 C159 C160 C167 35(4) . . . 2_666 ?
C165 C159 C160 C167 23(7) 2_666 . . 2_666 ?
C166 C159 C160 C161 16(35) 2_666 . . . ?
C167 C159 C160 C161 -38(3) 2_666 . . . ?
C158 C159 C160 C161 -3(6) . . . . ?
C165 C159 C160 C161 -15(9) 2_666 . . . ?
C167 C159 C160 C166 -54(33) 2_666 . . 2_666 ?
C158 C159 C160 C166 -20(31) . . . 2_666 ?
C165 C159 C160 C166 -31(29) 2_666 . . 2_666 ?
C166 C159 C160 C169 30(38) 2_666 . . 2_666 ?
C167 C159 C160 C169 -24(6) 2_666 . . 2_666 ?
C158 C159 C160 C169 11(9) . . . 2_666 ?
C165 C159 C160 C169 -1(12) 2_666 . . 2_666 ?
C153 C154 C161 C168 21(4) . . . 2_666 ?
C155 C154 C161 C168 174(3) . . . 2_666 ?
C156 C154 C161 C168 73(4) 2_666 . . 2_666 ?
C157 C154 C161 C168 125(4) 2_666 . . 2_666 ?
C153 C154 C161 C169 -165(4) . . . 2_666 ?
C155 C154 C161 C169 -11(4) . . . 2_666 ?
C156 C154 C161 C169 -112(4) 2_666 . . 2_666 ?
C157 C154 C161 C169 -60(4) 2_666 . . 2_666 ?
C153 C154 C161 C160 8(3) . . . . ?
C155 C154 C161 C160 162(2) . . . . ?
C156 C154 C161 C160 61(2) 2_666 . . . ?
C157 C154 C161 C160 113(2) 2_666 . . . ?
C153 C154 C161 C162 -164.1(16) . . . . ?
C155 C154 C161 C162 -11(2) . . . . ?
C156 C154 C161 C162 -111.4(17) 2_666 . . . ?
C157 C154 C161 C162 -59.2(16) 2_666 . . . ?
C153 C154 C161 C167 -8.7(17) . . . 2_666 ?
C155 C154 C161 C167 144.8(15) . . . 2_666 ?
C156 C154 C161 C167 44.1(11) 2_666 . . 2_666 ?
C157 C154 C161 C167 96.3(12) 2_666 . . 2_666 ?
C153 C154 C161 C170 -145.0(13) . . . 2_666 ?
C155 C154 C161 C170 8.4(17) . . . 2_666 ?
C156 C154 C161 C170 -92.3(10) 2_666 . . 2_666 ?
C157 C154 C161 C170 -40.1(9) 2_666 . . 2_666 ?
C153 C154 C161 C156 -52.8(14) . . . 2_666 ?
C155 C154 C161 C156 100.7(15) . . . 2_666 ?
C157 C154 C161 C156 52.2(7) 2_666 . . 2_666 ?
C153 C154 C161 C157 -104.9(15) . . . 2_666 ?
C155 C154 C161 C157 48.5(14) . . . 2_666 ?
C156 C154 C161 C157 -52.2(7) 2_666 . . 2_666 ?
C167 C160 C161 C168 163(8) 2_666 . . 2_666 ?
C159 C160 C161 C168 -172(8) . . . 2_666 ?
C166 C160 C161 C168 -171(8) 2_666 . . 2_666 ?
C169 C160 C161 C168 20(6) 2_666 . . 2_666 ?
C168 C160 C161 C169 -20(6) 2_666 . . 2_666 ?
C167 C160 C161 C169 144(4) 2_666 . . 2_666 ?
C159 C160 C161 C169 168(4) . . . 2_666 ?
C166 C160 C161 C169 169(3) 2_666 . . 2_666 ?
C168 C160 C161 C154 165(5) 2_666 . . . ?
C167 C160 C161 C154 -32(4) 2_666 . . . ?
C159 C160 C161 C154 -7(4) . . . . ?
C166 C160 C161 C154 -6(4) 2_666 . . . ?
C169 C160 C161 C154 -175(3) 2_666 . . . ?
C168 C160 C161 C162 -24(7) 2_666 . . . ?
C167 C160 C161 C162 140(3) 2_666 . . . ?
C159 C160 C161 C162 164(3) . . . . ?
C166 C160 C161 C162 166(2) 2_666 . . . ?
C169 C160 C161 C162 -4(3) 2_666 . . . ?
C168 C160 C161 C167 -163(8) 2_666 . . 2_666 ?
C159 C160 C161 C167 25(2) . . . 2_666 ?
C166 C160 C161 C167 26(2) 2_666 . . 2_666 ?
C169 C160 C161 C167 -144(4) 2_666 . . 2_666 ?
C168 C160 C161 C170 -64(7) 2_666 . . 2_666 ?
C167 C160 C161 C170 100(4) 2_666 . . 2_666 ?
C159 C160 C161 C170 124(3) . . . 2_666 ?
C166 C160 C161 C170 125(3) 2_666 . . 2_666 ?
C169 C160 C161 C170 -44(3) 2_666 . . 2_666 ?
C168 C160 C161 C156 -142(6) 2_666 . . 2_666 ?
C167 C160 C161 C156 22(3) 2_666 . . 2_666 ?
C159 C160 C161 C156 46(3) . . . 2_666 ?
C166 C160 C161 C156 47(2) 2_666 . . 2_666 ?
C169 C160 C161 C156 -122(2) 2_666 . . 2_666 ?
C168 C160 C161 C157 -121(6) 2_666 . . 2_666 ?
C167 C160 C161 C157 43(4) 2_666 . . 2_666 ?
C159 C160 C161 C157 67(4) . . . 2_666 ?
C166 C160 C161 C157 69(3) 2_666 . . 2_666 ?
C169 C160 C161 C157 -101(3) 2_666 . . 2_666 ?
C168 C161 C162 C169 -1(7) 2_666 . . 2_666 ?
C154 C161 C162 C169 -179(7) . . . 2_666 ?
C160 C161 C162 C169 9(8) . . . 2_666 ?
C167 C161 C162 C169 49(8) 2_666 . . 2_666 ?
C170 C161 C162 C169 145(8) 2_666 . . 2_666 ?
C156 C161 C162 C169 108(7) 2_666 . . 2_666 ?
C157 C161 C162 C169 130(7) 2_666 . . 2_666 ?
C168 C161 C162 C170 -146(3) 2_666 . . 2_666 ?
C169 C161 C162 C170 -145(8) 2_666 . . 2_666 ?
C154 C161 C162 C170 36(3) . . . 2_666 ?
C160 C161 C162 C170 -136(3) . . . 2_666 ?
C167 C161 C162 C170 -96(4) 2_666 . . 2_666 ?
C156 C161 C162 C170 -37(3) 2_666 . . 2_666 ?
C157 C161 C162 C170 -15.0(19) 2_666 . . 2_666 ?
C168 C161 C162 C163 -178(3) 2_666 . . . ?
C169 C161 C162 C163 -177(9) 2_666 . . . ?
C154 C161 C162 C163 4(4) . . . . ?
C160 C161 C162 C163 -168(3) . . . . ?
C167 C161 C162 C163 -128(3) 2_666 . . . ?
C170 C161 C162 C163 -32(3) 2_666 . . . ?
C156 C161 C162 C163 -69(3) 2_666 . . . ?
C157 C161 C162 C163 -47(3) 2_666 . . . ?
C168 C161 C162 C171 -172(2) 2_666 . . 2_666 ?
C169 C161 C162 C171 -171(8) 2_666 . . 2_666 ?
C154 C161 C162 C171 11(2) . . . 2_666 ?
C160 C161 C162 C171 -161(2) . . . 2_666 ?
C167 C161 C162 C171 -122(3) 2_666 . . 2_666 ?
C170 C161 C162 C171 -25.7(14) 2_666 . . 2_666 ?
C156 C161 C162 C171 -62(2) 2_666 . . 2_666 ?
C157 C161 C162 C171 -40.7(17) 2_666 . . 2_666 ?
C169 C162 C163 C171 69(35) 2_666 . . 2_666 ?
C170 C162 C163 C171 29(18) 2_666 . . 2_666 ?
C161 C162 C163 C171 78(20) . . . 2_666 ?
C169 C162 C163 C170 40(26) 2_666 . . 2_666 ?
C161 C162 C163 C170 48(3) . . . 2_666 ?
C171 C162 C163 C170 -29(18) 2_666 . . 2_666 ?
C169 C162 C163 C164 8(28) 2_666 . . . ?
C170 C162 C163 C164 -32(3) 2_666 . . . ?
C161 C162 C163 C164 17(5) . . . . ?
C171 C162 C163 C164 -61(18) 2_666 . . . ?
C169 C162 C163 C172 28(29) 2_666 . . 2_666 ?
C170 C162 C163 C172 -12(5) 2_666 . . 2_666 ?
C161 C162 C163 C172 36(8) . . . 2_666 ?
C171 C162 C163 C172 -42(16) 2_666 . . 2_666 ?
C154 C155 C164 C172 -171(4) . . . 2_666 ?
C156 C155 C164 C172 -24(5) . . . 2_666 ?
C153 C155 C164 C172 -79(4) 2_666 . . 2_666 ?
C157 C155 C164 C172 -129(4) 2_666 . . 2_666 ?
C158 C155 C164 C172 -32(4) 2_666 . . 2_666 ?
C154 C155 C164 C171 25(3) . . . 2_666 ?
C156 C155 C164 C171 172(2) . . . 2_666 ?
C153 C155 C164 C171 117(3) 2_666 . . 2_666 ?
C157 C155 C164 C171 68(3) 2_666 . . 2_666 ?
C158 C155 C164 C171 164(3) 2_666 . . 2_666 ?
C154 C155 C164 C165 -160.3(18) . . . . ?
C156 C155 C164 C165 -13(3) . . . . ?
C153 C155 C164 C165 -68.2(18) 2_666 . . . ?
C157 C155 C164 C165 -117.8(19) 2_666 . . . ?
C158 C155 C164 C165 -21.5(16) 2_666 . . . ?
C154 C155 C164 C163 23(3) . . . . ?
C156 C155 C164 C163 170(2) . . . . ?
C153 C155 C164 C163 115(3) 2_666 . . . ?
C157 C155 C164 C163 66(2) 2_666 . . . ?
C158 C155 C164 C163 162(3) 2_666 . . . ?
C154 C155 C164 C158 -138.7(15) . . . 2_666 ?
C156 C155 C164 C158 8(2) . . . 2_666 ?
C153 C155 C164 C158 -46.6(11) 2_666 . . 2_666 ?
C157 C155 C164 C158 -96.2(12) 2_666 . . 2_666 ?
C154 C155 C164 C170 -3.9(17) . . . 2_666 ?
C156 C155 C164 C170 143.1(15) . . . 2_666 ?
C153 C155 C164 C170 88.3(11) 2_666 . . 2_666 ?
C157 C155 C164 C170 38.7(9) 2_666 . . 2_666 ?
C158 C155 C164 C170 134.9(16) 2_666 . . 2_666 ?
C154 C155 C164 C153 -92.1(15) . . . 2_666 ?
C156 C155 C164 C153 54.8(16) . . . 2_666 ?
C157 C155 C164 C153 -49.6(8) 2_666 . . 2_666 ?
C158 C155 C164 C153 46.6(11) 2_666 . . 2_666 ?
C154 C155 C164 C157 -42.5(13) . . . 2_666 ?
C156 C155 C164 C157 104.4(16) . . . 2_666 ?
C153 C155 C164 C157 49.6(8) 2_666 . . 2_666 ?
C158 C155 C164 C157 96.2(12) 2_666 . . 2_666 ?
C171 C163 C164 C172 5(8) 2_666 . . 2_666 ?
C170 C163 C164 C172 139(3) 2_666 . . 2_666 ?
C162 C163 C164 C172 160(4) . . . 2_666 ?
C170 C163 C164 C171 134(9) 2_666 . . 2_666 ?
C162 C163 C164 C171 155(11) . . . 2_666 ?
C172 C163 C164 C171 -5(8) 2_666 . . 2_666 ?
C171 C163 C164 C155 176(7) 2_666 . . . ?
C170 C163 C164 C155 -50(4) 2_666 . . . ?
C162 C163 C164 C155 -30(5) . . . . ?
C172 C163 C164 C155 171(4) 2_666 . . . ?
C171 C163 C164 C165 0(9) 2_666 . . . ?
C170 C163 C164 C165 134(3) 2_666 . . . ?
C162 C163 C164 C165 155(3) . . . . ?
C172 C163 C164 C165 -5(3) 2_666 . . . ?
C171 C163 C164 C158 -56(11) 2_666 . . 2_666 ?
C170 C163 C164 C158 78(7) 2_666 . . 2_666 ?
C162 C163 C164 C158 98(7) . . . 2_666 ?
C172 C163 C164 C158 -61(6) 2_666 . . 2_666 ?
C171 C163 C164 C170 -134(9) 2_666 . . 2_666 ?
C162 C163 C164 C170 21(2) . . . 2_666 ?
C172 C163 C164 C170 -139(3) 2_666 . . 2_666 ?
C171 C163 C164 C153 -119(7) 2_666 . . 2_666 ?
C170 C163 C164 C153 15(4) 2_666 . . 2_666 ?
C162 C163 C164 C153 36(5) . . . 2_666 ?
C172 C163 C164 C153 -123(3) 2_666 . . 2_666 ?
C171 C163 C164 C157 -129(8) 2_666 . . 2_666 ?
C170 C163 C164 C157 5(3) 2_666 . . 2_666 ?
C162 C163 C164 C157 26(4) . . . 2_666 ?
C172 C163 C164 C157 -134(3) 2_666 . . 2_666 ?
C171 C164 C165 C172 10(5) 2_666 . . 2_666 ?
C155 C164 C165 C172 -166(5) . . . 2_666 ?
C163 C164 C165 C172 10(6) . . . 2_666 ?
C158 C164 C165 C172 158(6) 2_666 . . 2_666 ?
C170 C164 C165 C172 64(6) 2_666 . . 2_666 ?
C153 C164 C165 C172 141(5) 2_666 . . 2_666 ?
C157 C164 C165 C172 122(5) 2_666 . . 2_666 ?
C172 C164 C165 C158 -158(6) 2_666 . . 2_666 ?
C171 C164 C165 C158 -148(3) 2_666 . . 2_666 ?
C155 C164 C165 C158 37(3) . . . 2_666 ?
C163 C164 C165 C158 -147(4) . . . 2_666 ?
C170 C164 C165 C158 -93(4) 2_666 . . 2_666 ?
C153 C164 C165 C158 -16.1(19) 2_666 . . 2_666 ?
C157 C164 C165 C158 -36(3) 2_666 . . 2_666 ?
C172 C164 C165 C166 -179(6) 2_666 . . . ?
C171 C164 C165 C166 -169(3) 2_666 . . . ?
C155 C164 C165 C166 15(3) . . . . ?
C163 C164 C165 C166 -169(4) . . . . ?
C158 C164 C165 C166 -22(2) 2_666 . . . ?
C170 C164 C165 C166 -115(4) 2_666 . . . ?
C153 C164 C165 C166 -38(3) 2_666 . . . ?
C157 C164 C165 C166 -58(3) 2_666 . . . ?
C172 C164 C165 C159 179(6) 2_666 . . 2_666 ?
C171 C164 C165 C159 -171(2) 2_666 . . 2_666 ?
C155 C164 C165 C159 13(3) . . . 2_666 ?
C163 C164 C165 C159 -171(3) . . . 2_666 ?
C158 C164 C165 C159 -23.4(18) 2_666 . . 2_666 ?
C170 C164 C165 C159 -117(4) 2_666 . . 2_666 ?
C153 C164 C165 C159 -40(2) 2_666 . . 2_666 ?
C157 C164 C165 C159 -59(3) 2_666 . . 2_666 ?
C172 C165 C166 C159 -16(31) 2_666 . . 2_666 ?
C158 C165 C166 C159 -44(23) 2_666 . . 2_666 ?
C164 C165 C166 C159 -14(25) . . . 2_666 ?
C172 C165 C166 C158 28(12) 2_666 . . 2_666 ?
C164 C165 C166 C158 29(3) . . . 2_666 ?
C159 C165 C166 C158 44(23) 2_666 . . 2_666 ?
C172 C165 C166 C167 -6(14) 2_666 . . . ?
C158 C165 C166 C167 -34(3) 2_666 . . . ?
C164 C165 C166 C167 -5(5) . . . . ?
C159 C165 C166 C167 10(21) 2_666 . . . ?
C172 C165 C166 C160 3(16) 2_666 . . 2_666 ?
C158 C165 C166 C160 -25(5) 2_666 . . 2_666 ?
C164 C165 C166 C160 4(7) . . . 2_666 ?
C159 C165 C166 C160 19(20) 2_666 . . 2_666 ?
C159 C166 C167 C160 -18(14) 2_666 . . 2_666 ?
C158 C166 C167 C160 147(4) 2_666 . . 2_666 ?
C165 C166 C167 C160 169(4) . . . 2_666 ?
C158 C166 C167 C159 165(15) 2_666 . . 2_666 ?
C165 C166 C167 C159 -173(16) . . . 2_666 ?
C160 C166 C167 C159 18(14) 2_666 . . 2_666 ?
C159 C166 C167 C168 -29(14) 2_666 . . . ?
C158 C166 C167 C168 137(3) 2_666 . . . ?
C165 C166 C167 C168 159(3) . . . . ?
C160 C166 C167 C168 -10(4) 2_666 . . . ?
C159 C166 C167 C156 164(13) 2_666 . . . ?
C158 C166 C167 C156 -31(3) 2_666 . . . ?
C165 C166 C167 C156 -9(5) . . . . ?
C160 C166 C167 C156 -178(5) 2_666 . . . ?
C159 C166 C167 C161 -100(13) 2_666 . . 2_666 ?
C158 C166 C167 C161 65(4) 2_666 . . 2_666 ?
C165 C166 C167 C161 87(5) . . . 2_666 ?
C160 C166 C167 C161 -82(4) 2_666 . . 2_666 ?
C159 C166 C167 C158 -165(15) 2_666 . . 2_666 ?
C165 C166 C167 C158 22(2) . . . 2_666 ?
C160 C166 C167 C158 -147(4) 2_666 . . 2_666 ?
C157 C156 C167 C160 -22(5) . . . 2_666 ?
C155 C156 C167 C160 -167(4) . . . 2_666 ?
C154 C156 C167 C160 -73(4) 2_666 . . 2_666 ?
C161 C156 C167 C160 -33(4) 2_666 . . 2_666 ?
C153 C156 C167 C160 -120(4) 2_666 . . 2_666 ?
C157 C156 C167 C159 161(4) . . . 2_666 ?
C155 C156 C167 C159 16(4) . . . 2_666 ?
C154 C156 C167 C159 109(4) 2_666 . . 2_666 ?
C161 C156 C167 C159 150(4) 2_666 . . 2_666 ?
C153 C156 C167 C159 63(4) 2_666 . . 2_666 ?
C157 C156 C167 C166 155(2) . . . . ?
C155 C156 C167 C166 10(3) . . . . ?
C154 C156 C167 C166 104(2) 2_666 . . . ?
C161 C156 C167 C166 144(2) 2_666 . . . ?
C153 C156 C167 C166 57(2) 2_666 . . . ?
C157 C156 C167 C168 -15(2) . . . . ?
C155 C156 C167 C168 -160.0(17) . . . . ?
C154 C156 C167 C168 -66.8(17) 2_666 . . . ?
C161 C156 C167 C168 -26.5(15) 2_666 . . . ?
C153 C156 C167 C168 -113.1(17) 2_666 . . . ?
C157 C156 C167 C161 11.1(17) . . . 2_666 ?
C155 C156 C167 C161 -133.6(15) . . . 2_666 ?
C154 C156 C167 C161 -40.4(9) 2_666 . . 2_666 ?
C153 C156 C167 C161 -86.7(10) 2_666 . . 2_666 ?
C157 C156 C167 C158 137.2(16) . . . 2_666 ?
C155 C156 C167 C158 -7.5(17) . . . 2_666 ?
C154 C156 C167 C158 85.7(11) 2_666 . . 2_666 ?
C161 C156 C167 C158 126.0(13) 2_666 . . 2_666 ?
C153 C156 C167 C158 39.4(10) 2_666 . . 2_666 ?
C159 C167 C168 C160 18(11) 2_666 . . 2_666 ?
C166 C167 C168 C160 27(10) . . . 2_666 ?
C156 C167 C168 C160 -165(10) . . . 2_666 ?
C161 C167 C168 C160 157(11) 2_666 . . 2_666 ?
C158 C167 C168 C160 86(11) 2_666 . . 2_666 ?
C160 C167 C168 C161 -157(11) 2_666 . . 2_666 ?
C159 C167 C168 C161 -139(3) 2_666 . . 2_666 ?
C166 C167 C168 C161 -130(3) . . . 2_666 ?
C156 C167 C168 C161 38(2) . . . 2_666 ?
C158 C167 C168 C161 -72(5) 2_666 . . 2_666 ?
C160 C167 C168 C169 174(11) 2_666 . . . ?
C159 C167 C168 C169 -168(4) 2_666 . . . ?
C166 C167 C168 C169 -159(4) . . . . ?
C156 C167 C168 C169 9(4) . . . . ?
C161 C167 C168 C169 -29(3) 2_666 . . . ?
C158 C167 C168 C169 -100(5) 2_666 . . . ?
C160 C168 C169 C162 44(27) 2_666 . . 2_666 ?
C161 C168 C169 C162 4(20) 2_666 . . 2_666 ?
C167 C168 C169 C162 39(22) . . . 2_666 ?
C160 C168 C169 C161 41(12) 2_666 . . 2_666 ?
C167 C168 C169 C161 35(3) . . . 2_666 ?
C160 C168 C169 C170 13(14) 2_666 . . . ?
C161 C168 C169 C170 -28(3) 2_666 . . . ?
C167 C168 C169 C170 7(6) . . . . ?
C161 C168 C169 C160 -41(12) 2_666 . . 2_666 ?
C167 C168 C169 C160 -5(10) . . . 2_666 ?
C153 C157 C170 C162 160(3) . . . 2_666 ?
C156 C157 C170 C162 8(4) . . . 2_666 ?
C154 C157 C170 C162 63(3) 2_666 . . 2_666 ?
C155 C157 C170 C162 111(3) 2_666 . . 2_666 ?
C161 C157 C170 C162 24(3) 2_666 . . 2_666 ?
C164 C157 C170 C162 150(3) 2_666 . . 2_666 ?
C153 C157 C170 C163 2(5) . . . 2_666 ?
C156 C157 C170 C163 -150(4) . . . 2_666 ?
C154 C157 C170 C163 -95(4) 2_666 . . 2_666 ?
C155 C157 C170 C163 -46(4) 2_666 . . 2_666 ?
C161 C157 C170 C163 -134(4) 2_666 . . 2_666 ?
C164 C157 C170 C163 -8(4) 2_666 . . 2_666 ?
C153 C157 C170 C171 -8(2) . . . . ?
C156 C157 C170 C171 -160.6(16) . . . . ?
C154 C157 C170 C171 -105.3(15) 2_666 . . . ?
C155 C157 C170 C171 -57.0(15) 2_666 . . . ?
C161 C157 C170 C171 -144.1(16) 2_666 . . . ?
C164 C157 C170 C171 -18.6(13) 2_666 . . . ?
C153 C157 C170 C169 161(2) . . . . ?
C156 C157 C170 C169 9(3) . . . . ?
C154 C157 C170 C169 64(2) 2_666 . . . ?
C155 C157 C170 C169 113(2) 2_666 . . . ?
C161 C157 C170 C169 26(2) 2_666 . . . ?
C164 C157 C170 C169 151(2) 2_666 . . . ?
C153 C157 C170 C164 10.2(15) . . . 2_666 ?
C156 C157 C170 C164 -142.0(15) . . . 2_666 ?
C154 C157 C170 C164 -86.7(10) 2_666 . . 2_666 ?
C155 C157 C170 C164 -38.4(8) 2_666 . . 2_666 ?
C161 C157 C170 C164 -125.5(10) 2_666 . . 2_666 ?
C153 C157 C170 C161 135.7(15) . . . 2_666 ?
C156 C157 C170 C161 -16.5(15) . . . 2_666 ?
C154 C157 C170 C161 38.8(8) 2_666 . . 2_666 ?
C155 C157 C170 C161 87.2(9) 2_666 . . 2_666 ?
C164 C157 C170 C161 125.5(10) 2_666 . . 2_666 ?
C161 C169 C170 C162 140(10) 2_666 . . 2_666 ?
C168 C169 C170 C162 161(12) . . . 2_666 ?
C160 C169 C170 C162 164(11) 2_666 . . 2_666 ?
C162 C169 C170 C163 -14(9) 2_666 . . 2_666 ?
C161 C169 C170 C163 127(4) 2_666 . . 2_666 ?
C168 C169 C170 C163 148(5) . . . 2_666 ?
C160 C169 C170 C163 150(4) 2_666 . . 2_666 ?
C162 C169 C170 C171 -10(10) 2_666 . . . ?
C161 C169 C170 C171 130(3) 2_666 . . . ?
C168 C169 C170 C171 151(3) . . . . ?
C160 C169 C170 C171 153(2) 2_666 . . . ?
C162 C169 C170 C157 -177(8) 2_666 . . . ?
C161 C169 C170 C157 -37(3) 2_666 . . . ?
C168 C169 C170 C157 -16(5) . . . . ?
C160 C169 C170 C157 -14(4) 2_666 . . . ?
C162 C169 C170 C164 -82(10) 2_666 . . 2_666 ?
C161 C169 C170 C164 58(6) 2_666 . . 2_666 ?
C168 C169 C170 C164 79(7) . . . 2_666 ?
C160 C169 C170 C164 82(6) 2_666 . . 2_666 ?
C162 C169 C170 C161 -140(10) 2_666 . . 2_666 ?
C168 C169 C170 C161 21(3) . . . 2_666 ?
C160 C169 C170 C161 23.5(19) 2_666 . . 2_666 ?
C162 C170 C171 C163 -13(8) 2_666 . . 2_666 ?
C157 C170 C171 C163 158(8) . . . 2_666 ?
C169 C170 C171 C163 -8(9) . . . 2_666 ?
C164 C170 C171 C163 131(9) 2_666 . . 2_666 ?
C161 C170 C171 C163 60(9) 2_666 . . 2_666 ?
C162 C170 C171 C164 -143(3) 2_666 . . 2_666 ?
C163 C170 C171 C164 -131(9) 2_666 . . 2_666 ?
C157 C170 C171 C164 27.1(19) . . . 2_666 ?
C169 C170 C171 C164 -139(3) . . . 2_666 ?
C161 C170 C171 C164 -70(3) 2_666 . . 2_666 ?
C162 C170 C171 C172 -165(3) 2_666 . . . ?
C163 C170 C171 C172 -152(9) 2_666 . . . ?
C157 C170 C171 C172 5(3) . . . . ?
C169 C170 C171 C172 -161(3) . . . . ?
C164 C170 C171 C172 -21.8(17) 2_666 . . . ?
C161 C170 C171 C172 -92(3) 2_666 . . . ?
C163 C170 C171 C162 13(8) 2_666 . . 2_666 ?
C157 C170 C171 C162 170(3) . . . 2_666 ?
C169 C170 C171 C162 4(4) . . . 2_666 ?
C164 C170 C171 C162 143(3) 2_666 . . 2_666 ?
C161 C170 C171 C162 73(3) 2_666 . . 2_666 ?
C166 C158 C172 C165 -13(5) 2_666 . . 2_666 ?
C159 C158 C172 C165 -24(6) . . . 2_666 ?
C153 C158 C172 C165 168(5) . . . 2_666 ?
C164 C158 C172 C165 -158(6) 2_666 . . 2_666 ?
C167 C158 C172 C165 -78(6) 2_666 . . 2_666 ?
C155 C158 C172 C165 -142(5) 2_666 . . 2_666 ?
C165 C158 C172 C164 158(6) 2_666 . . 2_666 ?
C166 C158 C172 C164 145(3) 2_666 . . 2_666 ?
C159 C158 C172 C164 134(3) . . . 2_666 ?
C153 C158 C172 C164 -34(2) . . . 2_666 ?
C167 C158 C172 C164 80(5) 2_666 . . 2_666 ?
C155 C158 C172 C164 15.3(19) 2_666 . . 2_666 ?
C165 C158 C172 C171 -180(6) 2_666 . . . ?
C166 C158 C172 C171 168(3) 2_666 . . . ?
C159 C158 C172 C171 156(3) . . . . ?
C153 C158 C172 C171 -12(3) . . . . ?
C164 C158 C172 C171 22.7(18) 2_666 . . . ?
C167 C158 C172 C171 103(4) 2_666 . . . ?
C155 C158 C172 C171 38(2) 2_666 . . . ?
C165 C158 C172 C163 176(6) 2_666 . . 2_666 ?
C166 C158 C172 C163 163(3) 2_666 . . 2_666 ?
C159 C158 C172 C163 152(3) . . . 2_666 ?
C153 C158 C172 C163 -16(3) . . . 2_666 ?
C164 C158 C172 C163 18(2) 2_666 . . 2_666 ?
C167 C158 C172 C163 98(5) 2_666 . . 2_666 ?
C155 C158 C172 C163 33(2) 2_666 . . 2_666 ?
C163 C171 C172 C165 -39(24) 2_666 . . 2_666 ?
C164 C171 C172 C165 -29(14) 2_666 . . 2_666 ?
C170 C171 C172 C165 5(16) . . . 2_666 ?
C162 C171 C172 C165 -8(17) 2_666 . . 2_666 ?
C163 C171 C172 C164 -9(16) 2_666 . . 2_666 ?
C170 C171 C172 C164 34(3) . . . 2_666 ?
C162 C171 C172 C164 21(4) 2_666 . . 2_666 ?
C163 C171 C172 C158 -38(17) 2_666 . . . ?
C164 C171 C172 C158 -29(2) 2_666 . . . ?
C170 C171 C172 C158 5(3) . . . . ?
C162 C171 C172 C158 -8(5) 2_666 . . . ?
C164 C171 C172 C163 9(16) 2_666 . . 2_666 ?
C170 C171 C172 C163 43(16) . . . 2_666 ?
C162 C171 C172 C163 30(15) 2_666 . . 2_666 ?
C70 C65 O13 Rh3 -176.2(3) . . . . ?
C66 C65 O13 Rh3 2.0(4) . . . . ?
C67 C66 O14 Rh3 -176.7(3) . . . . ?
C65 C66 O14 Rh3 4.0(4) . . . . ?
C67 C68 O15 Rh4 -178.1(3) . . . . ?
C69 C68 O15 Rh4 -1.3(4) . . . . ?
C70 C69 O16 Rh4 179.6(3) . . . . ?
C68 C69 O16 Rh4 0.8(4) . . . . ?
C77 C76 O18 Cu3 -2.4(10) . . . . ?
C72 C76 O18 Cu3 -179.2(4) . . . . ?
C77 C76 O18 Cu3' 13.6(10) . . . . ?
C72 C76 O18 Cu3' -163.2(5) . . . . ?
O17 Cu3 O18 C76 -3.2(7) . . . . ?
O21 Cu3 O18 C76 76(3) . . . . ?
O22 Cu3 O18 C76 162.8(5) . . . . ?
O39 Cu3 O18 C76 -96.5(6) . . . . ?
C84 C83 O19 Cu4' 5.8(11) . . . . ?
C74 C83 O19 Cu4' -176.3(7) . . . . ?
C84 C83 O19 Cu4 -13.2(12) . . . . ?
C74 C83 O19 Cu4 164.7(9) . . . . ?
C84 C85 O20 Cu4 7.5(14) . . . . ?
C86 C85 O20 Cu4 -168.8(10) . . . . ?
C84 C85 O20 Cu4' -11.8(12) . . . . ?
C86 C85 O20 Cu4' 171.9(7) . . . . ?
O24 Cu4 O20 C85 165.7(8) . . . . ?
O19 Cu4 O20 C85 -15.2(13) . . . . ?
C96 C95 O22 Cu3 3.4(10) . . . . ?
C91 C95 O22 Cu3 -177.3(4) . . . . ?
C96 C95 O22 Cu3' -11.8(10) . . . . ?
C91 C95 O22 Cu3' 167.5(5) . . . . ?
O26 S1 O25 O27 157.5(6) . . . 2_665 ?
O27 S1 O25 O27 12.6(9) . . . 2_665 ?
C129 S1 O25 O27 -104.9(9) . . . 2_665 ?
O26 S1 O27 O27 -156.9(6) . . . 2_665 ?
O25 S1 O27 O27 -12.8(9) . . . 2_665 ?
C129 S1 O27 O27 105.1(9) . . . 2_665 ?
O26 S1 O27 O25 131(3) . . . 2_665 ?
O25 S1 O27 O25 -85(3) . . . 2_665 ?
O27 S1 O27 O25 -72(3) 2_665 . . 2_665 ?
C129 S1 O27 O25 33(4) . . . 2_665 ?
O26 S1 O27 S1 -156.9(6) . . . 2_665 ?
O25 S1 O27 S1 -12.8(9) . . . 2_665 ?
O27 S1 O27 S1 0.003(2) 2_665 . . 2_665 ?
C129 S1 O27 S1 105.1(9) . . . 2_665 ?
O30 S2 O28 O29 -166.1(7) . . . 2_756 ?
O29 S2 O28 O29 -17.4(10) . . . 2_756 ?
C130 S2 O28 O29 99.6(7) . . . 2_756 ?
O30 S2 O29 O28 -132(3) . . . 2_756 ?
O28 S2 O29 O28 82(3) . . . 2_756 ?
O29 S2 O29 O28 65(3) 2_756 . . 2_756 ?
C130 S2 O29 O28 -34(3) . . . 2_756 ?
O30 S2 O29 O29 163.2(7) . . . 2_756 ?
O28 S2 O29 O29 17.3(10) . . . 2_756 ?
C130 S2 O29 O29 -99.6(8) . . . 2_756 ?
O30 S2 O29 S2 163.2(7) . . . 2_756 ?
O28 S2 O29 S2 17.3(10) . . . 2_756 ?
O29 S2 O29 S2 -0.003(2) 2_756 . . 2_756 ?
C130 S2 O29 S2 -99.6(8) . . . 2_756 ?

_refine_diff_density_max         1.412
_refine_diff_density_min         -0.590
_refine_diff_density_rms         0.096

