# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2020

####################################################################### 
# 
# 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_platon_sq
_database_code_depnum_ccdc_archive 'CCDC 2035946'
loop_
_audit_author_name
_audit_author_address
'Xiang Gao'
;FuDan University
China
;
_audit_update_record             
;
2020-10-08 deposited with the CCDC.	2020-11-11 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            'C192 H240 F18 N6 O60 Rh6 S6'
_chemical_formula_weight         4743.71

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0583 0.0400 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -0.0161 2.8414 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.2925 0.4295 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   38.096(5)
_cell_length_b                   42.405(5)
_cell_length_c                   15.0046(18)
_cell_angle_alpha                90
_cell_angle_beta                 111.252(7)
_cell_angle_gamma                90
_cell_volume                     22591(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9747
_cell_measurement_theta_min      3.29
_cell_measurement_theta_max      54.76

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.395
_exptl_crystal_F_000             9768
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.630
_exptl_crystal_size_mid          0.490
_exptl_crystal_size_min          0.330
_exptl_absorpt_coefficient_mu    3.197
_shelx_estimated_absorpt_T_min   0.238
_shelx_estimated_absorpt_T_max   0.418
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.339
_exptl_absorpt_correction_T_max  0.751
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     1.34138
_diffrn_radiation_type           GaK\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            115518
_diffrn_reflns_av_unetI/netI     0.0692
_diffrn_reflns_av_R_equivalents  0.1060
_diffrn_reflns_limit_h_min       -46
_diffrn_reflns_limit_h_max       46
_diffrn_reflns_limit_k_min       -51
_diffrn_reflns_limit_k_max       51
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.927
_diffrn_reflns_theta_max         54.497
_diffrn_reflns_theta_full        53.594
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             21148
_reflns_number_gt                13808
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          
; 
 One chelate ligand was disordered and it was divided into 
 two parts (66:34). 26 ISOR, 1 SIMU, 4 DELU and 34 DFIX 
 instructions were used to restrain anions, ligands and Cp* 
 fragments so that there were 218 restraints in the data. 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1900P)²+56.0000P] 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     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_extinction_coef       0.000093(18)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         21148
_refine_ls_number_parameters     1058
_refine_ls_number_restraints     218
_refine_ls_R_factor_all          0.1419
_refine_ls_R_factor_gt           0.1186
_refine_ls_wR_factor_ref         0.3828
_refine_ls_wR_factor_gt          0.3531
_refine_ls_goodness_of_fit_ref   1.114
_refine_ls_restrained_S_all      1.118
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.40758(3) 0.87726(2) 0.48943(8) 0.1372(4) Uani 1 1 d . . . . .
Rh2 Rh 0.68678(2) 0.56003(2) 1.00889(5) 0.1110(3) Uani 1 1 d . . . . .
Rh3 Rh 0.66869(3) 0.64948(2) 0.49529(5) 0.1271(4) Uani 1 1 d . . . . .
N1 N 0.3478(4) 0.7573(3) 0.5188(10) 0.159(4) Uani 1 1 d D . . . .
N2 N 0.5359(2) 0.5735(2) 0.9865(6) 0.125(3) Uani 1 1 d . . . . .
N3 N 0.5881(4) 0.7588(2) 0.5164(10) 0.162(4) Uani 1 1 d D . . . .
O1 O 0.4160(2) 0.86812(19) 0.6306(7) 0.136(2) Uani 1 1 d . . . . .
O2 O 0.4652(3) 0.8744(2) 0.5296(7) 0.142(3) Uani 1 1 d . . . . .
O3 O 0.6513(2) 0.55695(16) 0.8708(5) 0.123(2) Uani 1 1 d . . . . .
O4 O 0.70543(19) 0.60161(16) 0.9683(4) 0.1184(19) Uani 1 1 d . . . . .
O5 O 0.6848(2) 0.66222(19) 0.6356(5) 0.125(2) Uani 1 1 d . . . . .
O6 O 0.6443(2) 0.61136(17) 0.5356(5) 0.125(2) Uani 1 1 d . . . . .
O7 O 0.4106(3) 0.8281(2) 0.4690(7) 0.152(3) Uani 1 1 d . . . . .
O8 O 0.6458(2) 0.58997(15) 1.0322(5) 0.1149(18) Uani 1 1 d . . . . .
O9 O 0.6143(2) 0.6688(2) 0.4723(6) 0.141(3) Uani 1 1 d . . . . .
C4 C 0.5279(4) 0.8733(2) 0.6180(11) 0.134(4) Uani 0.5 1 d . . P A 1
C5 C 0.5388(6) 0.8752(5) 0.5329(16) 0.118(6) Uani 0.5 1 d . U P A 1
H5 H 0.5181 0.8772 0.4741 0.142 Uiso 0.5 1 calc R U P A 1
C6 C 0.5752(8) 0.8746(7) 0.523(2) 0.152(9) Uani 0.5 1 d D U P A 1
H6 H 0.5788 0.8761 0.4637 0.182 Uiso 0.5 1 calc R U P A 1
C7 C 0.6047(9) 0.8717(8) 0.613(2) 0.176(11) Uani 0.5 1 d D U P A 1
H7 H 0.6300 0.8694 0.6163 0.212 Uiso 0.5 1 calc R U P A 1
C8 C 0.5966(6) 0.8720(5) 0.700(2) 0.147(8) Uani 0.5 1 d D U P A 1
H8 H 0.6174 0.8723 0.7594 0.177 Uiso 0.5 1 calc R U P A 1
C9 C 0.5595(4) 0.8719(3) 0.7044(10) 0.132(4) Uani 0.5 1 d D . P A 1
C4' C 0.5279(4) 0.8733(2) 0.6180(11) 0.134(4) Uani 0.5 1 d . . P A 2
H4' H 0.5320 0.8743 0.5592 0.161 Uiso 0.5 1 calc R U P A 2
C9' C 0.5595(4) 0.8719(3) 0.7044(10) 0.132(4) Uani 0.5 1 d . . P A 2
H9' H 0.5843 0.8715 0.7039 0.159 Uiso 0.5 1 calc R U P A 2
C13 C 0.7153(3) 0.6432(2) 0.8853(6) 0.105(2) Uani 0.657(11) 1 d . . P B 1
C14 C 0.7387(4) 0.6599(4) 0.9728(10) 0.104(4) Uani 0.657(11) 1 d . U P B 1
H14 H 0.7437 0.6496 1.0324 0.125 Uiso 0.657(11) 1 calc R U P B 1
C15 C 0.7530(4) 0.6879(4) 0.9736(10) 0.113(4) Uani 0.657(11) 1 d . U P B 1
H15 H 0.7674 0.6972 1.0333 0.135 Uiso 0.657(11) 1 calc R U P B 1
C16 C 0.7478(4) 0.7047(4) 0.8901(11) 0.115(4) Uani 0.657(11) 1 d . U P B 1
H16 H 0.7587 0.7250 0.8928 0.137 Uiso 0.657(11) 1 calc R U P B 1
C17 C 0.7265(4) 0.6912(4) 0.8024(11) 0.115(4) Uani 0.657(11) 1 d . U P B 1
H17 H 0.7224 0.7025 0.7448 0.139 Uiso 0.657(11) 1 calc R U P B 1
C18 C 0.7105(3) 0.6594(2) 0.7992(6) 0.107(2) Uani 0.657(11) 1 d . . P B 1
C22 C 0.6264(3) 0.5738(2) 0.6209(6) 0.109(3) Uani 0.657(11) 1 d . . P B 1
H22 H 0.6111 0.5644 0.5621 0.131 Uiso 0.657(11) 1 calc R U P B 1
C23 C 0.6281(3) 0.5600(2) 0.7044(7) 0.106(3) Uani 0.657(11) 1 d . . P B 1
H23 H 0.6131 0.5420 0.7031 0.127 Uiso 0.657(11) 1 calc R U P B 1
C90 C 0.5554(5) 0.4835(6) 0.7265(17) 0.177(11) Uani 0.5 1 d D U P C 1
F1 F 0.5683(8) 0.4537(5) 0.729(2) 0.261(12) Uani 0.5 1 d D U P C 1
F2 F 0.5583(8) 0.4956(6) 0.6469(16) 0.252(11) Uani 0.5 1 d D U P C 1
F3 F 0.5838(6) 0.4949(7) 0.7979(15) 0.248(11) Uani 0.5 1 d D U P C 1
O10 O 0.4856(7) 0.4779(6) 0.6420(13) 0.221(9) Uani 0.5 1 d D U P C 1
O11 O 0.5126(8) 0.4651(6) 0.8062(15) 0.220(9) Uani 0.5 1 d D U P C 1
O12 O 0.5000 0.5183(4) 0.7500 0.274(10) Uani 1 2 d DS TU P C 1
S1 S 0.5127(3) 0.4884(2) 0.7337(7) 0.185(4) Uani 0.5 1 d D U P C 1
C13' C 0.6281(3) 0.5600(2) 0.7044(7) 0.106(3) Uani 0.343(11) 1 d D . P B 2
C14' C 0.6035(7) 0.5343(5) 0.703(2) 0.112(8) Uani 0.343(11) 1 d D U P B 2
H14' H 0.6041 0.5268 0.7631 0.135 Uiso 0.343(11) 1 calc R U P B 2
C15' C 0.5776(7) 0.5186(6) 0.6188(15) 0.097(7) Uani 0.343(11) 1 d D U P B 2
H15' H 0.5619 0.5014 0.6209 0.117 Uiso 0.343(11) 1 calc R U P B 2
C16' C 0.5786(7) 0.5317(7) 0.5343(17) 0.110(8) Uani 0.343(11) 1 d D U P B 2
H16' H 0.5641 0.5226 0.4744 0.132 Uiso 0.343(11) 1 calc R U P B 2
C17' C 0.6006(7) 0.5579(6) 0.5379(17) 0.108(8) Uani 0.343(11) 1 d D U P B 2
H17' H 0.5985 0.5667 0.4779 0.129 Uiso 0.343(11) 1 calc R U P B 2
C18' C 0.6264(3) 0.5738(2) 0.6209(6) 0.109(3) Uani 0.343(11) 1 d D . P B 2
C22' C 0.7105(3) 0.6594(2) 0.7992(6) 0.107(2) Uani 0.343(11) 1 d . . P B 2
H22' H 0.7224 0.6791 0.7997 0.128 Uiso 0.343(11) 1 calc R U P B 2
C23' C 0.7153(3) 0.6432(2) 0.8853(6) 0.105(2) Uani 0.343(11) 1 d . . P B 2
H23' H 0.7308 0.6521 0.9446 0.126 Uiso 0.343(11) 1 calc R U P B 2
C1 C 0.4472(3) 0.8709(2) 0.7044(8) 0.117(3) Uani 1 1 d . . . . .
C2 C 0.4834(3) 0.8716(2) 0.7038(8) 0.116(3) Uani 1 1 d . . . . .
C3 C 0.4898(4) 0.8734(2) 0.6161(8) 0.120(3) Uani 1 1 d . . . . .
C10 C 0.6526(3) 0.5726(2) 0.7949(7) 0.114(3) Uani 1 1 d . . . . .
C11 C 0.6726(2) 0.60045(19) 0.7978(6) 0.094(2) Uani 1 1 d . . . . .
C12 C 0.6967(2) 0.6128(2) 0.8845(6) 0.098(2) Uani 1 1 d . . . . .
C19 C 0.6870(3) 0.6449(2) 0.7106(7) 0.107(2) Uani 1 1 d . . . . .
C20 C 0.6688(2) 0.6161(2) 0.7076(6) 0.100(2) Uani 1 1 d . . . . .
C21 C 0.6473(3) 0.6023(2) 0.6191(7) 0.109(3) Uani 1 1 d . . . . .
C24 C 0.3463(4) 0.7849(3) 0.5541(12) 0.155(5) Uani 1 1 d D . . . .
H24 H 0.3308 0.7879 0.5908 0.187 Uiso 1 1 calc R U . . .
C25 C 0.3673(4) 0.8108(3) 0.5394(11) 0.142(4) Uani 1 1 d D . . . .
H25 H 0.3661 0.8309 0.5659 0.170 Uiso 1 1 calc R U . . .
C26 C 0.3894(4) 0.8057(3) 0.4854(9) 0.129(3) Uani 1 1 d . . . . .
C27 C 0.3927(5) 0.7748(3) 0.4557(11) 0.153(5) Uani 1 1 d . . . . .
H27 H 0.4095 0.7699 0.4240 0.184 Uiso 1 1 calc R U . . .
C28 C 0.3716(6) 0.7527(4) 0.4733(13) 0.173(6) Uani 1 1 d D . . . .
H28 H 0.3735 0.7319 0.4519 0.208 Uiso 1 1 calc R U . . .
C29 C 0.3258(4) 0.7303(3) 0.5356(12) 0.159(5) Uani 1 1 d . . . . .
H29A H 0.3079 0.7381 0.5646 0.191 Uiso 1 1 calc R U . . .
H29B H 0.3110 0.7203 0.4736 0.191 Uiso 1 1 calc R U . . .
C30 C 0.3507(4) 0.7064(3) 0.5992(10) 0.139(4) Uani 1 1 d . . . . .
C31 C 0.3537(3) 0.6776(2) 0.5631(8) 0.121(3) Uani 1 1 d . . . . .
H31 H 0.3397 0.6727 0.4980 0.146 Uiso 1 1 calc R U . . .
C32 C 0.3780(3) 0.6550(2) 0.6239(8) 0.121(3) Uani 1 1 d . . . . .
H32 H 0.3808 0.6349 0.5988 0.145 Uiso 1 1 calc R U . . .
C33 C 0.3977(3) 0.6616(2) 0.7193(8) 0.112(3) Uani 1 1 d . . . . .
C34 C 0.3920(3) 0.6905(2) 0.7582(9) 0.131(3) Uani 1 1 d . . . . .
H34 H 0.4032 0.6948 0.8247 0.158 Uiso 1 1 calc R U . . .
C35 C 0.3691(4) 0.7128(3) 0.6935(11) 0.143(4) Uani 1 1 d . . . . .
H35 H 0.3663 0.7331 0.7168 0.172 Uiso 1 1 calc R U . . .
C36 C 0.4629(3) 0.5936(3) 0.8085(9) 0.123(3) Uani 1 1 d . . . . .
H36 H 0.4744 0.5781 0.7821 0.148 Uiso 1 1 calc R U . . .
C37 C 0.4409(3) 0.6149(2) 0.7487(8) 0.120(3) Uani 1 1 d . . . . .
H37 H 0.4374 0.6141 0.6827 0.144 Uiso 1 1 calc R U . . .
C38 C 0.4235(3) 0.6377(2) 0.7812(8) 0.116(3) Uani 1 1 d . . . . .
C39 C 0.4289(3) 0.6375(3) 0.8791(9) 0.124(3) Uani 1 1 d . . . . .
H39 H 0.4159 0.6520 0.9041 0.148 Uiso 1 1 calc R U . . .
C40 C 0.4541(3) 0.6151(3) 0.9397(9) 0.137(4) Uani 1 1 d . . . . .
H40 H 0.4596 0.6163 1.0066 0.164 Uiso 1 1 calc R U . . .
C41 C 0.4704(3) 0.5921(2) 0.9059(9) 0.120(3) Uani 1 1 d . . . . .
C42 C 0.4960(3) 0.5680(3) 0.9757(11) 0.151(5) Uani 1 1 d . . . . .
H42A H 0.4934 0.5699 1.0387 0.182 Uiso 1 1 calc R U . . .
H42B H 0.4884 0.5464 0.9513 0.182 Uiso 1 1 calc R U . . .
C43 C 0.5559(3) 0.5525(3) 0.9546(9) 0.125(3) Uani 1 1 d . . . . .
H43 H 0.5437 0.5341 0.9211 0.150 Uiso 1 1 calc R U . . .
C44 C 0.5913(3) 0.5572(2) 0.9694(8) 0.122(3) Uani 1 1 d . . . . .
H44 H 0.6041 0.5414 0.9480 0.147 Uiso 1 1 calc R U . . .
C45 C 0.6123(3) 0.5844(2) 1.0158(7) 0.111(3) Uani 1 1 d . . . . .
C46 C 0.5907(3) 0.6076(3) 1.0419(8) 0.134(4) Uani 1 1 d . . . . .
H46 H 0.6020 0.6270 1.0696 0.160 Uiso 1 1 calc R U . . .
C47 C 0.5527(3) 0.6018(3) 1.0265(9) 0.140(4) Uani 1 1 d . . . . .
H47 H 0.5383 0.6173 1.0437 0.168 Uiso 1 1 calc R U . . .
C48 C 0.6243(4) 0.7483(3) 0.5564(9) 0.134(3) Uani 1 1 d D . . . .
H48 H 0.6434 0.7617 0.5972 0.161 Uiso 1 1 calc R U . . .
C49 C 0.6325(4) 0.7202(3) 0.5386(9) 0.133(3) Uani 1 1 d . . . . .
H49 H 0.6583 0.7141 0.5632 0.159 Uiso 1 1 calc R U . . .
C50 C 0.6055(4) 0.6974(3) 0.4843(9) 0.134(4) Uani 1 1 d D . . . .
C51 C 0.5694(4) 0.7069(3) 0.4549(11) 0.158(5) Uani 1 1 d D . . . .
H51 H 0.5496 0.6925 0.4243 0.190 Uiso 1 1 calc R U . . .
C52 C 0.5610(5) 0.7384(4) 0.4696(14) 0.183(7) Uani 1 1 d . . . . .
H52 H 0.5355 0.7453 0.4459 0.219 Uiso 1 1 calc R U . . .
C53 C 0.5772(4) 0.7907(3) 0.5395(12) 0.152(5) Uani 1 1 d . . . . .
H53A H 0.6004 0.8029 0.5733 0.182 Uiso 1 1 calc R U . . .
H53B H 0.5634 0.8018 0.4788 0.182 Uiso 1 1 calc R U . . .
C54 C 0.5543(5) 0.7906(3) 0.5968(12) 0.149(5) Uani 1 1 d D . . . .
C55 C 0.5150(4) 0.7968(3) 0.5617(10) 0.135(4) Uani 1 1 d D . . . .
H55 H 0.5022 0.8014 0.4959 0.161 Uiso 1 1 calc R U . . .
C56 C 0.4962(4) 0.7962(2) 0.6212(10) 0.139(4) Uani 1 1 d . . . . .
H56 H 0.4700 0.8007 0.5951 0.166 Uiso 1 1 calc R U . . .
C57 C 0.5117(3) 0.7895(2) 0.7177(10) 0.127(3) Uani 1 1 d . . . . .
C58 C 0.5495(4) 0.7827(3) 0.7555(10) 0.142(4) Uani 1 1 d . . . . .
H58 H 0.5618 0.7776 0.8212 0.170 Uiso 1 1 calc R U . . .
C59 C 0.5703(5) 0.7837(3) 0.6888(16) 0.162(6) Uani 1 1 d . . . . .
H59 H 0.5966 0.7792 0.7135 0.194 Uiso 1 1 calc R U . . .
C60 C 0.4016(5) 0.9248(4) 0.4375(18) 0.183(6) Uani 1 1 d . U . . .
C61 C 0.3932(7) 0.9023(6) 0.3619(17) 0.209(7) Uani 1 1 d D U . . .
C62 C 0.3622(7) 0.8849(5) 0.3566(16) 0.198(7) Uani 1 1 d D U . . .
C63 C 0.3516(4) 0.8938(4) 0.4348(14) 0.173(5) Uani 1 1 d D U . . .
C64 C 0.3744(6) 0.9189(4) 0.4799(15) 0.185(6) Uani 1 1 d . U . . .
C65 C 0.4309(6) 0.9496(7) 0.465(2) 0.277(13) Uani 1 1 d . U . . .
H65A H 0.4502 0.9446 0.4386 0.415 Uiso 1 1 calc R U . . .
H65B H 0.4425 0.9506 0.5351 0.415 Uiso 1 1 calc R U . . .
H65C H 0.4195 0.9700 0.4404 0.415 Uiso 1 1 calc R U . . .
C66 C 0.4125(11) 0.8968(10) 0.290(2) 0.352(17) Uani 1 1 d D U . . .
H66A H 0.4222 0.9169 0.2764 0.528 Uiso 1 1 calc R U . . .
H66B H 0.3944 0.8881 0.2310 0.528 Uiso 1 1 calc R U . . .
H66C H 0.4335 0.8820 0.3173 0.528 Uiso 1 1 calc R U . . .
C67 C 0.3405(8) 0.8596(6) 0.298(2) 0.280(13) Uani 1 1 d . U . . .
H67A H 0.3205 0.8532 0.3205 0.419 Uiso 1 1 calc R U . . .
H67B H 0.3570 0.8415 0.3009 0.419 Uiso 1 1 calc R U . . .
H67C H 0.3292 0.8668 0.2311 0.419 Uiso 1 1 calc R U . . .
C68 C 0.3180(5) 0.8829(5) 0.463(2) 0.247(12) Uani 1 1 d D . . . .
H68A H 0.3258 0.8829 0.5332 0.371 Uiso 1 1 calc R U . . .
H68B H 0.3104 0.8615 0.4391 0.371 Uiso 1 1 calc R U . . .
H68C H 0.2967 0.8973 0.4358 0.371 Uiso 1 1 calc R U . . .
C69 C 0.3729(7) 0.9370(4) 0.5671(19) 0.242(11) Uani 1 1 d . . . . .
H69A H 0.3956 0.9500 0.5941 0.363 Uiso 1 1 calc R U . . .
H69B H 0.3715 0.9220 0.6154 0.363 Uiso 1 1 calc R U . . .
H69C H 0.3506 0.9507 0.5474 0.363 Uiso 1 1 calc R U . . .
C70 C 0.7407(3) 0.5416(3) 1.0844(9) 0.137(4) Uani 1 1 d D . . . .
C71 C 0.7226(4) 0.5491(3) 1.1513(7) 0.132(4) Uani 1 1 d D . . . .
C72 C 0.6907(4) 0.5283(3) 1.1232(9) 0.139(4) Uani 1 1 d . U . . .
C73 C 0.6888(4) 0.5102(3) 1.0427(10) 0.140(4) Uani 1 1 d . U . . .
C74 C 0.7197(4) 0.5182(3) 1.0180(8) 0.125(3) Uani 1 1 d . . . . .
C75 C 0.7749(4) 0.5574(5) 1.0814(14) 0.185(7) Uani 1 1 d . . . . .
H75A H 0.7967 0.5434 1.1085 0.277 Uiso 1 1 calc R U . . .
H75B H 0.7792 0.5770 1.1188 0.277 Uiso 1 1 calc R U . . .
H75C H 0.7715 0.5624 1.0150 0.277 Uiso 1 1 calc R U . . .
C76 C 0.7354(6) 0.5701(5) 1.2320(12) 0.226(10) Uani 1 1 d . . . . .
H76A H 0.7207 0.5897 1.2165 0.340 Uiso 1 1 calc R U . . .
H76B H 0.7621 0.5750 1.2471 0.340 Uiso 1 1 calc R U . . .
H76C H 0.7323 0.5601 1.2874 0.340 Uiso 1 1 calc R U . . .
C77 C 0.6623(5) 0.5269(6) 1.1715(14) 0.218(10) Uani 1 1 d . . . . .
H77A H 0.6536 0.5482 1.1776 0.328 Uiso 1 1 calc R U . . .
H77B H 0.6740 0.5175 1.2352 0.328 Uiso 1 1 calc R U . . .
H77C H 0.6408 0.5139 1.1332 0.328 Uiso 1 1 calc R U . . .
C78 C 0.6562(5) 0.4864(4) 0.9900(14) 0.185(7) Uani 1 1 d . . . . .
H78A H 0.6594 0.4671 1.0280 0.277 Uiso 1 1 calc R U . . .
H78B H 0.6569 0.4813 0.9270 0.277 Uiso 1 1 calc R U . . .
H78C H 0.6319 0.4961 0.9822 0.277 Uiso 1 1 calc R U . . .
C79 C 0.7263(6) 0.5033(4) 0.9326(11) 0.181(6) Uani 1 1 d . . . . .
H79A H 0.7408 0.5179 0.9087 0.271 Uiso 1 1 calc R U . . .
H79B H 0.7020 0.4989 0.8818 0.271 Uiso 1 1 calc R U . . .
H79C H 0.7404 0.4836 0.9527 0.271 Uiso 1 1 calc R U . . .
C80 C 0.7040(5) 0.6237(3) 0.4421(10) 0.147(4) Uani 1 1 d D . . . .
C81 C 0.6713(5) 0.6333(4) 0.3699(10) 0.172(6) Uani 1 1 d D . . . .
C82 C 0.6744(5) 0.6666(4) 0.3682(11) 0.174(6) Uani 1 1 d D U . . .
C83 C 0.7050(5) 0.6767(4) 0.4457(11) 0.164(5) Uani 1 1 d D . . . .
C84 C 0.7249(5) 0.6501(3) 0.4921(11) 0.149(4) Uani 1 1 d D U . . .
C85 C 0.7137(5) 0.5886(3) 0.4632(13) 0.177(6) Uani 1 1 d D . . . .
H85A H 0.7317 0.5821 0.4337 0.266 Uiso 1 1 calc R U . . .
H85B H 0.6907 0.5759 0.4367 0.266 Uiso 1 1 calc R U . . .
H85C H 0.7248 0.5853 0.5325 0.266 Uiso 1 1 calc R U . . .
C86 C 0.6461(5) 0.6112(6) 0.3002(15) 0.236(10) Uani 1 1 d . U . . .
H86A H 0.6551 0.6081 0.2473 0.353 Uiso 1 1 calc R U . . .
H86B H 0.6206 0.6198 0.2754 0.353 Uiso 1 1 calc R U . . .
H86C H 0.6460 0.5909 0.3314 0.353 Uiso 1 1 calc R U . . .
C87 C 0.6445(7) 0.6851(6) 0.2907(12) 0.254(11) Uani 1 1 d D U . . .
H87A H 0.6488 0.7077 0.3032 0.382 Uiso 1 1 calc R U . . .
H87B H 0.6196 0.6794 0.2906 0.382 Uiso 1 1 calc R U . . .
H87C H 0.6459 0.6800 0.2284 0.382 Uiso 1 1 calc R U . . .
C88 C 0.7163(8) 0.7097(4) 0.4700(17) 0.236(11) Uani 1 1 d . . . . .
H88A H 0.7412 0.7132 0.4665 0.354 Uiso 1 1 calc R U . . .
H88B H 0.7173 0.7142 0.5349 0.354 Uiso 1 1 calc R U . . .
H88C H 0.6979 0.7237 0.4247 0.354 Uiso 1 1 calc R U . . .
C89 C 0.7592(5) 0.6480(5) 0.5787(14) 0.194(7) Uani 1 1 d D U . . .
H89A H 0.7814 0.6518 0.5617 0.291 Uiso 1 1 calc R U . . .
H89B H 0.7609 0.6270 0.6069 0.291 Uiso 1 1 calc R U . . .
H89C H 0.7582 0.6639 0.6251 0.291 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 O2 2.057(9) . ?
Rh1 O1 2.061(9) . ?
Rh1 C61 2.080(19) . ?
Rh1 C63 2.108(15) . ?
Rh1 O7 2.116(9) . ?
Rh1 C62 2.137(19) . ?
Rh1 C60 2.142(14) . ?
Rh1 C64 2.147(17) . ?
Rh2 O3 2.026(7) . ?
Rh2 O4 2.073(7) . ?
Rh2 C70 2.105(10) . ?
Rh2 C71 2.128(10) . ?
Rh2 O8 2.137(7) . ?
Rh2 C72 2.142(11) . ?
Rh2 C74 2.146(11) . ?
Rh2 C73 2.166(12) . ?
Rh3 C81 2.038(14) . ?
Rh3 O5 2.041(7) . ?
Rh3 O6 2.062(8) . ?
Rh3 C80 2.103(12) . ?
Rh3 C82 2.123(14) . ?
Rh3 C83 2.132(16) . ?
Rh3 O9 2.138(8) . ?
Rh3 C84 2.158(15) . ?
N1 C24 1.293(18) . ?
N1 C28 1.332(14) . ?
N1 C29 1.496(19) . ?
N2 C43 1.365(15) . ?
N2 C47 1.388(15) . ?
N2 C42 1.489(15) . ?
N3 C52 1.336(18) . ?
N3 C48 1.364(13) . ?
N3 C53 1.492(15) . ?
O1 C1 1.301(14) . ?
O2 C3 1.298(13) . ?
O3 C10 1.335(13) . ?
O4 C12 1.270(10) . ?
O5 C19 1.319(12) . ?
O6 C21 1.274(12) . ?
O7 C26 1.329(14) . ?
O8 C45 1.231(12) . ?
O9 C50 1.286(13) . ?
C4 C9 1.415(18) . ?
C4 C3 1.441(17) . ?
C4 C5 1.48(3) . ?
C5 C6 1.45(3) . ?
C5 H5 0.9500 . ?
C6 C7 1.415(19) . ?
C6 H6 0.9500 . ?
C7 C8 1.45(4) . ?
C7 H7 0.9500 . ?
C8 C9 1.437(17) . ?
C8 H8 0.9500 . ?
C9 C1 1.478(17) 2_656 ?
C4' C9' 1.415(18) . ?
C4' C3 1.441(17) . ?
C4' H4' 0.9500 . ?
C9' C1 1.478(17) 2_656 ?
C9' H9' 0.9500 . ?
C13 C18 1.416(14) . ?
C13 C12 1.469(13) . ?
C13 C14 1.472(15) . ?
C14 C15 1.31(2) . ?
C14 H14 0.9500 . ?
C15 C16 1.39(2) . ?
C15 H15 0.9500 . ?
C16 C17 1.393(19) . ?
C16 H16 0.9500 . ?
C17 C18 1.476(19) . ?
C17 H17 0.9500 . ?
C18 C19 1.442(12) . ?
C22 C23 1.362(14) . ?
C22 C21 1.455(15) . ?
C22 H22 0.9500 . ?
C23 C10 1.443(12) . ?
C23 H23 0.9500 . ?
C90 F3 1.307(17) . ?
C90 F2 1.340(18) . ?
C90 F1 1.355(18) . ?
C90 S1 1.68(2) . ?
O10 O11 0.93(4) 2_656 ?
O10 S1 1.458(15) . ?
O10 S1 1.89(3) 2_656 ?
O11 O10 0.93(4) 2_656 ?
O11 S1 1.36(2) 2_656 ?
O11 S1 1.469(15) . ?
O11 O11 1.61(4) 2_656 ?
O12 S1 1.409(14) 2_656 ?
O12 S1 1.409(14) . ?
S1 S1 1.23(2) 2_656 ?
S1 O11 1.36(2) 2_656 ?
S1 O10 1.89(3) 2_656 ?
C13' C18' 1.362(14) . ?
C13' C14' 1.434(18) . ?
C13' C10 1.443(12) . ?
C14' C15' 1.45(3) . ?
C14' H14' 0.9500 . ?
C15' C16' 1.397(19) . ?
C15' H15' 0.9500 . ?
C16' C17' 1.38(4) . ?
C16' H16' 0.9500 . ?
C17' C18' 1.441(17) . ?
C17' H17' 0.9500 . ?
C18' C21 1.455(15) . ?
C22' C23' 1.416(14) . ?
C22' C19 1.442(12) . ?
C22' H22' 0.9500 . ?
C23' C12 1.469(13) . ?
C23' H23' 0.9500 . ?
C1 C2 1.383(16) . ?
C1 C9' 1.478(17) 2_656 ?
C1 C9 1.478(17) 2_656 ?
C2 C3 1.426(17) . ?
C2 C2 1.50(2) 2_656 ?
C10 C11 1.397(14) . ?
C11 C12 1.393(11) . ?
C11 C20 1.466(13) . ?
C19 C20 1.400(14) . ?
C20 C21 1.409(12) . ?
C24 C25 1.422(14) . ?
C24 H24 0.9500 . ?
C25 C26 1.381(18) . ?
C25 H25 0.9500 . ?
C26 C27 1.403(19) . ?
C27 C28 1.32(2) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
C29 C30 1.474(17) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 C31 1.360(17) . ?
C30 C35 1.360(19) . ?
C31 C32 1.412(14) . ?
C31 H31 0.9500 . ?
C32 C33 1.383(15) . ?
C32 H32 0.9500 . ?
C33 C34 1.411(15) . ?
C33 C38 1.479(14) . ?
C34 C35 1.407(17) . ?
C34 H34 0.9500 . ?
C35 H35 0.9500 . ?
C36 C37 1.333(14) . ?
C36 C41 1.385(17) . ?
C36 H36 0.9500 . ?
C37 C38 1.361(16) . ?
C37 H37 0.9500 . ?
C38 C39 1.406(16) . ?
C39 C40 1.420(16) . ?
C39 H39 0.9500 . ?
C40 C41 1.349(17) . ?
C40 H40 0.9500 . ?
C41 C42 1.536(16) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C43 C44 1.301(16) . ?
C43 H43 0.9500 . ?
C44 C45 1.434(15) . ?
C44 H44 0.9500 . ?
C45 C46 1.427(15) . ?
C46 C47 1.404(17) . ?
C46 H46 0.9500 . ?
C47 H47 0.9500 . ?
C48 C49 1.283(16) . ?
C48 H48 0.9500 . ?
C49 C50 1.432(17) . ?
C49 H49 0.9500 . ?
C50 C51 1.347(14) . ?
C51 C52 1.409(19) . ?
C51 H51 0.9500 . ?
C52 H52 0.9500 . ?
C53 C54 1.430(19) . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C54 C59 1.32(2) . ?
C54 C55 1.420(15) . ?
C55 C56 1.333(17) . ?
C55 H55 0.9500 . ?
C56 C57 1.381(17) . ?
C56 H56 0.9500 . ?
C57 C58 1.376(17) . ?
C57 C57 1.53(3) 2_656 ?
C58 C59 1.49(2) . ?
C58 H58 0.9500 . ?
C59 H59 0.9500 . ?
C60 C64 1.42(3) . ?
C60 C61 1.43(3) . ?
C60 C65 1.48(3) . ?
C61 C62 1.368(17) . ?
C61 C66 1.525(18) . ?
C62 C63 1.42(3) . ?
C62 C67 1.45(3) . ?
C63 C64 1.38(2) . ?
C63 C68 1.560(16) . ?
C64 C69 1.54(3) . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C66 H66C 0.9800 . ?
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 C74 1.427(18) . ?
C70 C71 1.446(14) . ?
C70 C75 1.48(2) . ?
C71 C72 1.435(19) . ?
C71 C76 1.44(2) . ?
C72 C73 1.410(19) . ?
C72 C77 1.507(19) . ?
C73 C74 1.396(17) . ?
C73 C78 1.57(2) . ?
C74 C79 1.530(18) . ?
C75 H75A 0.9800 . ?
C75 H75B 0.9800 . ?
C75 H75C 0.9800 . ?
C76 H76A 0.9800 . ?
C76 H76B 0.9800 . ?
C76 H76C 0.9800 . ?
C77 H77A 0.9800 . ?
C77 H77B 0.9800 . ?
C77 H77C 0.9800 . ?
C78 H78A 0.9800 . ?
C78 H78B 0.9800 . ?
C78 H78C 0.9800 . ?
C79 H79A 0.9800 . ?
C79 H79B 0.9800 . ?
C79 H79C 0.9800 . ?
C80 C81 1.383(19) . ?
C80 C84 1.42(2) . ?
C80 C85 1.538(14) . ?
C81 C82 1.419(16) . ?
C81 C86 1.47(2) . ?
C82 C83 1.383(16) . ?
C82 C87 1.516(15) . ?
C83 C84 1.395(19) . ?
C83 C88 1.47(2) . ?
C84 C89 1.476(16) . ?
C85 H85A 0.9800 . ?
C85 H85B 0.9800 . ?
C85 H85C 0.9800 . ?
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 H89A 0.9800 . ?
C89 H89B 0.9800 . ?
C89 H89C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 Rh1 O1 86.3(3) . . ?
O2 Rh1 C61 101.3(7) . . ?
O1 Rh1 C61 158.8(8) . . ?
O2 Rh1 C63 162.6(5) . . ?
O1 Rh1 C63 102.8(6) . . ?
C61 Rh1 C63 65.2(8) . . ?
O2 Rh1 O7 82.9(3) . . ?
O1 Rh1 O7 88.1(4) . . ?
C61 Rh1 O7 112.2(9) . . ?
C63 Rh1 O7 111.9(6) . . ?
O2 Rh1 C62 134.2(8) . . ?
O1 Rh1 C62 139.4(8) . . ?
C61 Rh1 C62 37.8(5) . . ?
C63 Rh1 C62 39.2(7) . . ?
O7 Rh1 C62 94.8(6) . . ?
O2 Rh1 C60 97.0(6) . . ?
O1 Rh1 C60 120.5(8) . . ?
C61 Rh1 C60 39.5(8) . . ?
C63 Rh1 C60 65.6(7) . . ?
O7 Rh1 C60 151.4(8) . . ?
C62 Rh1 C60 64.8(8) . . ?
O2 Rh1 C64 127.4(6) . . ?
O1 Rh1 C64 95.3(6) . . ?
C61 Rh1 C64 64.4(9) . . ?
C63 Rh1 C64 37.9(7) . . ?
O7 Rh1 C64 149.6(7) . . ?
C62 Rh1 C64 63.6(7) . . ?
C60 Rh1 C64 38.7(7) . . ?
O3 Rh2 O4 85.8(3) . . ?
O3 Rh2 C70 133.3(5) . . ?
O4 Rh2 C70 95.9(4) . . ?
O3 Rh2 C71 163.7(4) . . ?
O4 Rh2 C71 108.5(5) . . ?
C70 Rh2 C71 39.9(4) . . ?
O3 Rh2 O8 87.1(3) . . ?
O4 Rh2 O8 83.8(3) . . ?
C70 Rh2 O8 139.6(4) . . ?
C71 Rh2 O8 101.8(4) . . ?
O3 Rh2 C72 127.3(5) . . ?
O4 Rh2 C72 146.9(5) . . ?
C70 Rh2 C72 64.2(5) . . ?
C71 Rh2 C72 39.3(5) . . ?
O8 Rh2 C72 94.9(4) . . ?
O3 Rh2 C74 99.8(4) . . ?
O4 Rh2 C74 117.8(4) . . ?
C70 Rh2 C74 39.2(5) . . ?
C71 Rh2 C74 67.0(4) . . ?
O8 Rh2 C74 157.6(4) . . ?
C72 Rh2 C74 63.9(4) . . ?
O3 Rh2 C73 97.5(4) . . ?
O4 Rh2 C73 155.6(4) . . ?
C70 Rh2 C73 64.3(5) . . ?
C71 Rh2 C73 66.2(5) . . ?
O8 Rh2 C73 120.5(4) . . ?
C72 Rh2 C73 38.2(5) . . ?
C74 Rh2 C73 37.8(5) . . ?
C81 Rh3 O5 160.8(5) . . ?
C81 Rh3 O6 100.6(6) . . ?
O5 Rh3 O6 84.5(3) . . ?
C81 Rh3 C80 39.0(5) . . ?
O5 Rh3 C80 122.3(5) . . ?
O6 Rh3 C80 97.0(4) . . ?
C81 Rh3 C82 39.8(5) . . ?
O5 Rh3 C82 138.2(6) . . ?
O6 Rh3 C82 137.3(6) . . ?
C80 Rh3 C82 63.2(5) . . ?
C81 Rh3 C83 66.8(6) . . ?
O5 Rh3 C83 103.1(5) . . ?
O6 Rh3 C83 161.0(5) . . ?
C80 Rh3 C83 64.2(6) . . ?
C82 Rh3 C83 37.9(4) . . ?
C81 Rh3 O9 110.4(5) . . ?
O5 Rh3 O9 88.7(3) . . ?
O6 Rh3 O9 80.5(3) . . ?
C80 Rh3 O9 148.7(5) . . ?
C82 Rh3 O9 97.6(5) . . ?
C83 Rh3 O9 116.7(5) . . ?
C81 Rh3 C84 66.7(6) . . ?
O5 Rh3 C84 95.1(5) . . ?
O6 Rh3 C84 124.9(4) . . ?
C80 Rh3 C84 38.9(6) . . ?
C82 Rh3 C84 63.3(6) . . ?
C83 Rh3 C84 37.9(5) . . ?
O9 Rh3 C84 154.6(4) . . ?
C24 N1 C28 119.0(14) . . ?
C24 N1 C29 120.9(15) . . ?
C28 N1 C29 119.9(14) . . ?
C43 N2 C47 119.3(10) . . ?
C43 N2 C42 122.3(10) . . ?
C47 N2 C42 118.3(11) . . ?
C52 N3 C48 119.1(11) . . ?
C52 N3 C53 118.6(13) . . ?
C48 N3 C53 121.2(12) . . ?
C1 O1 Rh1 127.8(8) . . ?
C3 O2 Rh1 127.1(9) . . ?
C10 O3 Rh2 128.6(6) . . ?
C12 O4 Rh2 127.8(6) . . ?
C19 O5 Rh3 129.4(6) . . ?
C21 O6 Rh3 129.4(7) . . ?
C26 O7 Rh1 127.5(8) . . ?
C45 O8 Rh2 128.2(6) . . ?
C50 O9 Rh3 128.6(8) . . ?
C9 C4 C3 122.2(13) . . ?
C9 C4 C5 112.5(14) . . ?
C3 C4 C5 125.3(15) . . ?
C6 C5 C4 132(2) . . ?
C6 C5 H5 114.1 . . ?
C4 C5 H5 114.1 . . ?
C7 C6 C5 111(3) . . ?
C7 C6 H6 124.3 . . ?
C5 C6 H6 124.3 . . ?
C6 C7 C8 120(3) . . ?
C6 C7 H7 119.9 . . ?
C8 C7 H7 119.9 . . ?
C9 C8 C7 125(3) . . ?
C9 C8 H8 117.5 . . ?
C7 C8 H8 117.5 . . ?
C4 C9 C8 118.9(17) . . ?
C4 C9 C1 118.4(12) . 2_656 ?
C8 C9 C1 122.6(17) . 2_656 ?
C9' C4' C3 122.2(13) . . ?
C9' C4' H4' 118.9 . . ?
C3 C4' H4' 118.9 . . ?
C4' C9' C1 118.4(12) . 2_656 ?
C4' C9' H9' 120.8 . . ?
C1 C9' H9' 120.8 2_656 . ?
C18 C13 C12 121.0(8) . . ?
C18 C13 C14 114.6(10) . . ?
C12 C13 C14 124.3(10) . . ?
C15 C14 C13 124.2(14) . . ?
C15 C14 H14 117.9 . . ?
C13 C14 H14 117.9 . . ?
C14 C15 C16 122.3(14) . . ?
C14 C15 H15 118.8 . . ?
C16 C15 H15 118.8 . . ?
C15 C16 C17 119.1(15) . . ?
C15 C16 H16 120.5 . . ?
C17 C16 H16 120.5 . . ?
C16 C17 C18 119.8(14) . . ?
C16 C17 H17 120.1 . . ?
C18 C17 H17 120.1 . . ?
C13 C18 C19 117.9(9) . . ?
C13 C18 C17 119.9(9) . . ?
C19 C18 C17 122.0(10) . . ?
C23 C22 C21 121.9(8) . . ?
C23 C22 H22 119.0 . . ?
C21 C22 H22 119.0 . . ?
C22 C23 C10 120.4(10) . . ?
C22 C23 H23 119.8 . . ?
C10 C23 H23 119.8 . . ?
F3 C90 F2 106.2(19) . . ?
F3 C90 F1 98.0(18) . . ?
F2 C90 F1 103.5(19) . . ?
F3 C90 S1 115.7(19) . . ?
F2 C90 S1 113.9(19) . . ?
F1 C90 S1 118(2) . . ?
O11 O10 S1 64.9(18) 2_656 . ?
O11 O10 S1 49.3(16) 2_656 2_656 ?
S1 O10 S1 40.5(8) . 2_656 ?
O10 O11 S1 77(2) 2_656 2_656 ?
O10 O11 S1 102(2) 2_656 . ?
S1 O11 S1 51.4(10) 2_656 . ?
O10 O11 O11 135(3) 2_656 2_656 ?
S1 O11 O11 58.6(13) 2_656 2_656 ?
S1 O11 O11 52.0(12) . 2_656 ?
S1 O12 S1 51.8(10) 2_656 . ?
S1 S1 O11 69.0(11) 2_656 2_656 ?
S1 S1 O12 64.1(5) 2_656 . ?
O11 S1 O12 119.9(13) 2_656 . ?
S1 S1 O10 89.2(15) 2_656 . ?
O11 S1 O10 38.3(15) 2_656 . ?
O12 S1 O10 105.6(12) . . ?
S1 S1 O11 59.5(12) 2_656 . ?
O11 S1 O11 69(2) 2_656 . ?
O12 S1 O11 112.5(12) . . ?
O10 S1 O11 107.6(16) . . ?
S1 S1 C90 160.5(14) 2_656 . ?
O11 S1 C90 115.5(15) 2_656 . ?
O12 S1 C90 121.4(10) . . ?
O10 S1 C90 105.8(14) . . ?
O11 S1 C90 103.1(14) . . ?
S1 S1 O10 50.3(10) 2_656 2_656 ?
O11 S1 O10 91.7(14) 2_656 2_656 ?
O12 S1 O10 86.2(9) . 2_656 ?
O10 S1 O10 128.1(14) . 2_656 ?
O11 S1 O10 28.6(13) . 2_656 ?
C90 S1 O10 110.2(12) . 2_656 ?
C18' C13' C14' 119.8(14) . . ?
C18' C13' C10 120.4(10) . . ?
C14' C13' C10 119.6(15) . . ?
C13' C14' C15' 127(2) . . ?
C13' C14' H14' 116.6 . . ?
C15' C14' H14' 116.6 . . ?
C16' C15' C14' 112(2) . . ?
C16' C15' H15' 124.0 . . ?
C14' C15' H15' 124.0 . . ?
C17' C16' C15' 120(2) . . ?
C17' C16' H16' 120.0 . . ?
C15' C16' H16' 120.0 . . ?
C16' C17' C18' 128(2) . . ?
C16' C17' H17' 115.8 . . ?
C18' C17' H17' 115.8 . . ?
C13' C18' C17' 112.7(16) . . ?
C13' C18' C21 121.9(8) . . ?
C17' C18' C21 125.3(15) . . ?
C23' C22' C19 117.9(9) . . ?
C23' C22' H22' 121.1 . . ?
C19 C22' H22' 121.1 . . ?
C22' C23' C12 121.0(8) . . ?
C22' C23' H23' 119.5 . . ?
C12 C23' H23' 119.5 . . ?
O1 C1 C2 126.8(11) . . ?
O1 C1 C9' 112.4(11) . 2_656 ?
C2 C1 C9' 120.7(11) . 2_656 ?
O1 C1 C9 112.4(11) . 2_656 ?
C2 C1 C9 120.7(11) . 2_656 ?
C1 C2 C3 120.9(11) . . ?
C1 C2 C2 120.3(14) . 2_656 ?
C3 C2 C2 118.8(13) . 2_656 ?
O2 C3 C2 128.4(12) . . ?
O2 C3 C4 112.2(12) . . ?
C2 C3 C4 119.4(11) . . ?
O2 C3 C4' 112.2(12) . . ?
C2 C3 C4' 119.4(11) . . ?
O3 C10 C11 125.6(8) . . ?
O3 C10 C23 114.0(10) . . ?
C11 C10 C23 120.1(10) . . ?
O3 C10 C13' 114.0(10) . . ?
C11 C10 C13' 120.1(10) . . ?
C12 C11 C10 120.9(8) . . ?
C12 C11 C20 120.3(8) . . ?
C10 C11 C20 118.8(7) . . ?
O4 C12 C11 129.2(9) . . ?
O4 C12 C13 111.5(8) . . ?
C11 C12 C13 119.4(8) . . ?
O4 C12 C23' 111.5(8) . . ?
C11 C12 C23' 119.4(8) . . ?
O5 C19 C20 125.5(8) . . ?
O5 C19 C18 112.1(9) . . ?
C20 C19 C18 122.4(9) . . ?
O5 C19 C22' 112.1(9) . . ?
C20 C19 C22' 122.4(9) . . ?
C19 C20 C21 120.3(9) . . ?
C19 C20 C11 118.9(7) . . ?
C21 C20 C11 120.8(9) . . ?
O6 C21 C20 128.0(10) . . ?
O6 C21 C22 114.4(8) . . ?
C20 C21 C22 117.5(9) . . ?
O6 C21 C18' 114.4(8) . . ?
C20 C21 C18' 117.5(9) . . ?
N1 C24 C25 121.5(15) . . ?
N1 C24 H24 119.2 . . ?
C25 C24 H24 119.2 . . ?
C26 C25 C24 117.8(13) . . ?
C26 C25 H25 121.1 . . ?
C24 C25 H25 121.1 . . ?
O7 C26 C25 122.5(12) . . ?
O7 C26 C27 118.6(13) . . ?
C25 C26 C27 118.5(12) . . ?
C28 C27 C26 117.9(15) . . ?
C28 C27 H27 121.1 . . ?
C26 C27 H27 121.1 . . ?
C27 C28 N1 124.9(16) . . ?
C27 C28 H28 117.6 . . ?
N1 C28 H28 117.6 . . ?
C30 C29 N1 111.6(12) . . ?
C30 C29 H29A 109.3 . . ?
N1 C29 H29A 109.3 . . ?
C30 C29 H29B 109.3 . . ?
N1 C29 H29B 109.3 . . ?
H29A C29 H29B 108.0 . . ?
C31 C30 C35 120.5(11) . . ?
C31 C30 C29 119.1(13) . . ?
C35 C30 C29 120.3(13) . . ?
C30 C31 C32 119.0(11) . . ?
C30 C31 H31 120.5 . . ?
C32 C31 H31 120.5 . . ?
C33 C32 C31 121.0(10) . . ?
C33 C32 H32 119.5 . . ?
C31 C32 H32 119.5 . . ?
C32 C33 C34 119.8(10) . . ?
C32 C33 C38 120.0(10) . . ?
C34 C33 C38 120.1(10) . . ?
C35 C34 C33 116.7(11) . . ?
C35 C34 H34 121.6 . . ?
C33 C34 H34 121.6 . . ?
C30 C35 C34 122.8(12) . . ?
C30 C35 H35 118.6 . . ?
C34 C35 H35 118.6 . . ?
C37 C36 C41 125.4(12) . . ?
C37 C36 H36 117.3 . . ?
C41 C36 H36 117.3 . . ?
C36 C37 C38 120.6(12) . . ?
C36 C37 H37 119.7 . . ?
C38 C37 H37 119.7 . . ?
C37 C38 C39 117.6(10) . . ?
C37 C38 C33 124.0(11) . . ?
C39 C38 C33 118.3(11) . . ?
C38 C39 C40 118.8(12) . . ?
C38 C39 H39 120.6 . . ?
C40 C39 H39 120.6 . . ?
C41 C40 C39 122.6(12) . . ?
C41 C40 H40 118.7 . . ?
C39 C40 H40 118.7 . . ?
C40 C41 C36 114.7(10) . . ?
C40 C41 C42 119.4(13) . . ?
C36 C41 C42 125.9(12) . . ?
N2 C42 C41 109.9(11) . . ?
N2 C42 H42A 109.7 . . ?
C41 C42 H42A 109.7 . . ?
N2 C42 H42B 109.7 . . ?
C41 C42 H42B 109.7 . . ?
H42A C42 H42B 108.2 . . ?
C44 C43 N2 120.9(11) . . ?
C44 C43 H43 119.5 . . ?
N2 C43 H43 119.5 . . ?
C43 C44 C45 124.7(11) . . ?
C43 C44 H44 117.7 . . ?
C45 C44 H44 117.7 . . ?
O8 C45 C46 118.1(10) . . ?
O8 C45 C44 127.4(9) . . ?
C46 C45 C44 114.4(10) . . ?
C47 C46 C45 119.7(11) . . ?
C47 C46 H46 120.1 . . ?
C45 C46 H46 120.1 . . ?
N2 C47 C46 120.6(11) . . ?
N2 C47 H47 119.7 . . ?
C46 C47 H47 119.7 . . ?
C49 C48 N3 119.7(12) . . ?
C49 C48 H48 120.1 . . ?
N3 C48 H48 120.1 . . ?
C48 C49 C50 124.5(12) . . ?
C48 C49 H49 117.8 . . ?
C50 C49 H49 117.8 . . ?
O9 C50 C51 121.5(13) . . ?
O9 C50 C49 123.2(11) . . ?
C51 C50 C49 114.9(11) . . ?
C50 C51 C52 119.8(13) . . ?
C50 C51 H51 120.1 . . ?
C52 C51 H51 120.1 . . ?
N3 C52 C51 121.2(13) . . ?
N3 C52 H52 119.4 . . ?
C51 C52 H52 119.4 . . ?
C54 C53 N3 114.9(11) . . ?
C54 C53 H53A 108.6 . . ?
N3 C53 H53A 108.6 . . ?
C54 C53 H53B 108.6 . . ?
N3 C53 H53B 108.5 . . ?
H53A C53 H53B 107.5 . . ?
C59 C54 C55 117.0(15) . . ?
C59 C54 C53 118.5(15) . . ?
C55 C54 C53 124.5(14) . . ?
C56 C55 C54 120.0(13) . . ?
C56 C55 H55 120.0 . . ?
C54 C55 H55 120.0 . . ?
C55 C56 C57 125.3(13) . . ?
C55 C56 H56 117.4 . . ?
C57 C56 H56 117.4 . . ?
C58 C57 C56 117.4(13) . . ?
C58 C57 C57 120.0(15) . 2_656 ?
C56 C57 C57 122.5(14) . 2_656 ?
C57 C58 C59 116.9(14) . . ?
C57 C58 H58 121.6 . . ?
C59 C58 H58 121.6 . . ?
C54 C59 C58 123.5(15) . . ?
C54 C59 H59 118.3 . . ?
C58 C59 H59 118.3 . . ?
C64 C60 C61 104.4(18) . . ?
C64 C60 C65 127(3) . . ?
C61 C60 C65 129(3) . . ?
C64 C60 Rh1 70.8(9) . . ?
C61 C60 Rh1 67.9(10) . . ?
C65 C60 Rh1 126.6(14) . . ?
C62 C61 C60 110(2) . . ?
C62 C61 C66 120(3) . . ?
C60 C61 C66 129(3) . . ?
C62 C61 Rh1 73.3(12) . . ?
C60 C61 Rh1 72.6(11) . . ?
C66 C61 Rh1 122.6(18) . . ?
C61 C62 C63 107.9(19) . . ?
C61 C62 C67 136(3) . . ?
C63 C62 C67 115(3) . . ?
C61 C62 Rh1 68.9(12) . . ?
C63 C62 Rh1 69.3(10) . . ?
C67 C62 Rh1 123.2(16) . . ?
C64 C63 C62 107.0(18) . . ?
C64 C63 C68 122(2) . . ?
C62 C63 C68 131(2) . . ?
C64 C63 Rh1 72.6(10) . . ?
C62 C63 Rh1 71.5(10) . . ?
C68 C63 Rh1 127.5(12) . . ?
C63 C64 C60 110.2(19) . . ?
C63 C64 C69 126(2) . . ?
C60 C64 C69 123(2) . . ?
C63 C64 Rh1 69.5(9) . . ?
C60 C64 Rh1 70.5(10) . . ?
C69 C64 Rh1 123.9(13) . . ?
C60 C65 H65A 109.5 . . ?
C60 C65 H65B 109.5 . . ?
H65A C65 H65B 109.5 . . ?
C60 C65 H65C 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
C61 C66 H66A 109.5 . . ?
C61 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
C61 C66 H66C 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C62 C67 H67A 109.5 . . ?
C62 C67 H67B 109.5 . . ?
H67A C67 H67B 109.5 . . ?
C62 C67 H67C 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
C63 C68 H68A 109.5 . . ?
C63 C68 H68B 109.5 . . ?
H68A C68 H68B 109.5 . . ?
C63 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
C64 C69 H69A 109.5 . . ?
C64 C69 H69B 109.5 . . ?
H69A C69 H69B 109.5 . . ?
C64 C69 H69C 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C74 C70 C71 110.4(11) . . ?
C74 C70 C75 124.9(13) . . ?
C71 C70 C75 124.6(15) . . ?
C74 C70 Rh2 71.9(6) . . ?
C71 C70 Rh2 70.9(6) . . ?
C75 C70 Rh2 120.8(9) . . ?
C72 C71 C76 128.5(15) . . ?
C72 C71 C70 103.1(11) . . ?
C76 C71 C70 128.2(17) . . ?
C72 C71 Rh2 70.9(6) . . ?
C76 C71 Rh2 127.5(10) . . ?
C70 C71 Rh2 69.2(6) . . ?
C73 C72 C71 111.1(12) . . ?
C73 C72 C77 124.6(18) . . ?
C71 C72 C77 124.2(16) . . ?
C73 C72 Rh2 71.8(7) . . ?
C71 C72 Rh2 69.9(7) . . ?
C77 C72 Rh2 123.8(9) . . ?
C74 C73 C72 108.0(13) . . ?
C74 C73 C78 127.6(15) . . ?
C72 C73 C78 124.3(15) . . ?
C74 C73 Rh2 70.3(7) . . ?
C72 C73 Rh2 70.0(7) . . ?
C78 C73 Rh2 123.5(8) . . ?
C73 C74 C70 107.3(11) . . ?
C73 C74 C79 122.2(15) . . ?
C70 C74 C79 130.5(14) . . ?
C73 C74 Rh2 71.9(7) . . ?
C70 C74 Rh2 68.9(6) . . ?
C79 C74 Rh2 123.9(8) . . ?
C70 C75 H75A 109.5 . . ?
C70 C75 H75B 109.5 . . ?
H75A C75 H75B 109.5 . . ?
C70 C75 H75C 109.5 . . ?
H75A C75 H75C 109.5 . . ?
H75B C75 H75C 109.5 . . ?
C71 C76 H76A 109.5 . . ?
C71 C76 H76B 109.5 . . ?
H76A C76 H76B 109.5 . . ?
C71 C76 H76C 109.5 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
C72 C77 H77A 109.5 . . ?
C72 C77 H77B 109.5 . . ?
H77A C77 H77B 109.5 . . ?
C72 C77 H77C 109.5 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 109.5 . . ?
C73 C78 H78A 109.5 . . ?
C73 C78 H78B 109.5 . . ?
H78A C78 H78B 109.5 . . ?
C73 C78 H78C 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
C74 C79 H79A 109.5 . . ?
C74 C79 H79B 109.5 . . ?
H79A C79 H79B 109.5 . . ?
C74 C79 H79C 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 109.5 . . ?
C81 C80 C84 110.7(12) . . ?
C81 C80 C85 121.8(16) . . ?
C84 C80 C85 127.4(14) . . ?
C81 C80 Rh3 68.0(8) . . ?
C84 C80 Rh3 72.6(7) . . ?
C85 C80 Rh3 124.3(10) . . ?
C80 C81 C82 104.5(13) . . ?
C80 C81 C86 122.6(16) . . ?
C82 C81 C86 131.2(17) . . ?
C80 C81 Rh3 73.1(8) . . ?
C82 C81 Rh3 73.3(8) . . ?
C86 C81 Rh3 129.4(15) . . ?
C83 C82 C81 110.1(13) . . ?
C83 C82 C87 130.8(19) . . ?
C81 C82 C87 119.0(18) . . ?
C83 C82 Rh3 71.4(9) . . ?
C81 C82 Rh3 66.9(8) . . ?
C87 C82 Rh3 125.0(12) . . ?
C82 C83 C84 108.0(14) . . ?
C82 C83 C88 125.8(19) . . ?
C84 C83 C88 126.1(19) . . ?
C82 C83 Rh3 70.6(10) . . ?
C84 C83 Rh3 72.0(9) . . ?
C88 C83 Rh3 126.7(11) . . ?
C83 C84 C80 106.0(14) . . ?
C83 C84 C89 129.5(16) . . ?
C80 C84 C89 124.4(13) . . ?
C83 C84 Rh3 70.0(9) . . ?
C80 C84 Rh3 68.4(9) . . ?
C89 C84 Rh3 123.4(11) . . ?
C80 C85 H85A 109.5 . . ?
C80 C85 H85B 109.5 . . ?
H85A C85 H85B 109.5 . . ?
C80 C85 H85C 109.5 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 109.5 . . ?
C81 C86 H86A 109.5 . . ?
C81 C86 H86B 109.5 . . ?
H86A C86 H86B 109.5 . . ?
C81 C86 H86C 109.5 . . ?
H86A C86 H86C 109.5 . . ?
H86B C86 H86C 109.5 . . ?
C82 C87 H87A 109.5 . . ?
C82 C87 H87B 109.5 . . ?
H87A C87 H87B 109.5 . . ?
C82 C87 H87C 109.5 . . ?
H87A C87 H87C 109.5 . . ?
H87B C87 H87C 109.5 . . ?
C83 C88 H88A 109.5 . . ?
C83 C88 H88B 109.5 . . ?
H88A C88 H88B 109.5 . . ?
C83 C88 H88C 109.5 . . ?
H88A C88 H88C 109.5 . . ?
H88B C88 H88C 109.5 . . ?
C84 C89 H89A 109.5 . . ?
C84 C89 H89B 109.5 . . ?
H89A C89 H89B 109.5 . . ?
C84 C89 H89C 109.5 . . ?
H89A C89 H89C 109.5 . . ?
H89B C89 H89C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C9 C4 C5 C6 3(3) . . . . ?
C3 C4 C5 C6 -178(2) . . . . ?
C4 C5 C6 C7 0(4) . . . . ?
C5 C6 C7 C8 -5(4) . . . . ?
C6 C7 C8 C9 7(5) . . . . ?
C3 C4 C9 C8 -179.7(13) . . . . ?
C5 C4 C9 C8 -0.7(19) . . . . ?
C3 C4 C9 C1 -1.0(16) . . . 2_656 ?
C5 C4 C9 C1 178.1(11) . . . 2_656 ?
C7 C8 C9 C4 -4(3) . . . . ?
C7 C8 C9 C1 177(2) . . . 2_656 ?
C3 C4' C9' C1 -1.0(16) . . . 2_656 ?
C18 C13 C14 C15 2.7(18) . . . . ?
C12 C13 C14 C15 -174.8(12) . . . . ?
C13 C14 C15 C16 -1(2) . . . . ?
C14 C15 C16 C17 0(2) . . . . ?
C15 C16 C17 C18 -1(2) . . . . ?
C12 C13 C18 C19 -0.6(14) . . . . ?
C14 C13 C18 C19 -178.1(9) . . . . ?
C12 C13 C18 C17 174.2(10) . . . . ?
C14 C13 C18 C17 -3.4(15) . . . . ?
C16 C17 C18 C13 2.9(19) . . . . ?
C16 C17 C18 C19 177.4(12) . . . . ?
C21 C22 C23 C10 -3.2(13) . . . . ?
S1 O12 S1 O11 42.5(13) 2_656 . . 2_656 ?
S1 O12 S1 O10 81.3(14) 2_656 . . . ?
S1 O12 S1 O11 -35.8(12) 2_656 . . . ?
S1 O12 S1 C90 -158.6(17) 2_656 . . . ?
S1 O12 S1 O10 -47.2(10) 2_656 . . 2_656 ?
O11 O10 S1 S1 -56(2) 2_656 . . 2_656 ?
S1 O10 S1 O11 56(2) 2_656 . . 2_656 ?
O11 O10 S1 O12 -119(3) 2_656 . . . ?
S1 O10 S1 O12 -62.8(7) 2_656 . . . ?
O11 O10 S1 O11 2(3) 2_656 . . . ?
S1 O10 S1 O11 57.6(14) 2_656 . . . ?
O11 O10 S1 C90 111(3) 2_656 . . . ?
S1 O10 S1 C90 167.3(11) 2_656 . . . ?
O11 O10 S1 O10 -21(3) 2_656 . . 2_656 ?
S1 O10 S1 O10 34.7(15) 2_656 . . 2_656 ?
O10 O11 S1 S1 -62(3) 2_656 . . 2_656 ?
O11 O11 S1 S1 77.2(18) 2_656 . . 2_656 ?
O10 O11 S1 O11 -139(4) 2_656 . . 2_656 ?
S1 O11 S1 O11 -77.2(18) 2_656 . . 2_656 ?
O10 O11 S1 O12 -24(3) 2_656 . . . ?
S1 O11 S1 O12 37.7(11) 2_656 . . . ?
O11 O11 S1 O12 114.8(13) 2_656 . . . ?
O10 O11 S1 O10 -140(2) 2_656 . . . ?
S1 O11 S1 O10 -78.3(17) 2_656 . . . ?
O11 O11 S1 O10 -1(2) 2_656 . . . ?
O10 O11 S1 C90 108(3) 2_656 . . . ?
S1 O11 S1 C90 170.2(13) 2_656 . . . ?
O11 O11 S1 C90 -112.6(18) 2_656 . . . ?
S1 O11 S1 O10 62(3) 2_656 . . 2_656 ?
O11 O11 S1 O10 139(4) 2_656 . . 2_656 ?
F3 C90 S1 S1 -48(4) . . . 2_656 ?
F2 C90 S1 S1 -172(2) . . . 2_656 ?
F1 C90 S1 S1 67(4) . . . 2_656 ?
F3 C90 S1 O11 -148(2) . . . 2_656 ?
F2 C90 S1 O11 89(2) . . . 2_656 ?
F1 C90 S1 O11 -32(3) . . . 2_656 ?
F3 C90 S1 O12 53(2) . . . . ?
F2 C90 S1 O12 -71(2) . . . . ?
F1 C90 S1 O12 167.9(18) . . . . ?
F3 C90 S1 O10 173(2) . . . . ?
F2 C90 S1 O10 49(2) . . . . ?
F1 C90 S1 O10 -72(2) . . . . ?
F3 C90 S1 O11 -74(2) . . . . ?
F2 C90 S1 O11 162(2) . . . . ?
F1 C90 S1 O11 41(2) . . . . ?
F3 C90 S1 O10 -45(2) . . . 2_656 ?
F2 C90 S1 O10 -169.0(19) . . . 2_656 ?
F1 C90 S1 O10 70(2) . . . 2_656 ?
C18' C13' C14' C15' 6(3) . . . . ?
C10 C13' C14' C15' -179.0(19) . . . . ?
C13' C14' C15' C16' -1(3) . . . . ?
C14' C15' C16' C17' -4(3) . . . . ?
C15' C16' C17' C18' 5(4) . . . . ?
C14' C13' C18' C17' -4.9(19) . . . . ?
C10 C13' C18' C17' 179.7(13) . . . . ?
C14' C13' C18' C21 172.2(13) . . . . ?
C10 C13' C18' C21 -3.2(13) . . . . ?
C16' C17' C18' C13' 0(3) . . . . ?
C16' C17' C18' C21 -177(2) . . . . ?
C19 C22' C23' C12 -0.6(14) . . . . ?
Rh1 O1 C1 C2 -20.4(15) . . . . ?
Rh1 O1 C1 C9' 162.5(7) . . . 2_656 ?
Rh1 O1 C1 C9 162.5(7) . . . 2_656 ?
O1 C1 C2 C3 8.4(15) . . . . ?
C9' C1 C2 C3 -174.7(9) 2_656 . . . ?
C9 C1 C2 C3 -174.7(9) 2_656 . . . ?
O1 C1 C2 C2 -173.7(8) . . . 2_656 ?
C9' C1 C2 C2 3.3(11) 2_656 . . 2_656 ?
C9 C1 C2 C2 3.3(11) 2_656 . . 2_656 ?
Rh1 O2 C3 C2 5.1(15) . . . . ?
Rh1 O2 C3 C4 -176.6(7) . . . . ?
Rh1 O2 C3 C4' -176.6(7) . . . . ?
C1 C2 C3 O2 -0.3(15) . . . . ?
C2 C2 C3 O2 -178.3(8) 2_656 . . . ?
C1 C2 C3 C4 -178.5(9) . . . . ?
C2 C2 C3 C4 3.6(10) 2_656 . . . ?
C1 C2 C3 C4' -178.5(9) . . . . ?
C2 C2 C3 C4' 3.6(10) 2_656 . . . ?
C9 C4 C3 O2 -179.1(10) . . . . ?
C5 C4 C3 O2 2.0(16) . . . . ?
C9 C4 C3 C2 -0.7(15) . . . . ?
C5 C4 C3 C2 -179.6(12) . . . . ?
C9' C4' C3 O2 -179.1(10) . . . . ?
C9' C4' C3 C2 -0.7(15) . . . . ?
Rh2 O3 C10 C11 -18.3(13) . . . . ?
Rh2 O3 C10 C23 167.2(6) . . . . ?
Rh2 O3 C10 C13' 167.2(6) . . . . ?
C22 C23 C10 O3 179.6(8) . . . . ?
C22 C23 C10 C11 4.9(13) . . . . ?
C18' C13' C10 O3 179.6(8) . . . . ?
C14' C13' C10 O3 4.2(16) . . . . ?
C18' C13' C10 C11 4.9(13) . . . . ?
C14' C13' C10 C11 -170.6(13) . . . . ?
O3 C10 C11 C12 6.4(14) . . . . ?
C23 C10 C11 C12 -179.4(8) . . . . ?
C13' C10 C11 C12 -179.4(8) . . . . ?
O3 C10 C11 C20 -175.3(8) . . . . ?
C23 C10 C11 C20 -1.1(12) . . . . ?
C13' C10 C11 C20 -1.1(12) . . . . ?
Rh2 O4 C12 C11 -0.3(14) . . . . ?
Rh2 O4 C12 C13 179.0(6) . . . . ?
Rh2 O4 C12 C23' 179.0(6) . . . . ?
C10 C11 C12 O4 3.2(14) . . . . ?
C20 C11 C12 O4 -175.0(8) . . . . ?
C10 C11 C12 C13 -176.0(8) . . . . ?
C20 C11 C12 C13 5.8(12) . . . . ?
C10 C11 C12 C23' -176.0(8) . . . . ?
C20 C11 C12 C23' 5.8(12) . . . . ?
C18 C13 C12 O4 177.9(8) . . . . ?
C14 C13 C12 O4 -4.8(13) . . . . ?
C18 C13 C12 C11 -2.8(13) . . . . ?
C14 C13 C12 C11 174.6(9) . . . . ?
C22' C23' C12 O4 177.9(8) . . . . ?
C22' C23' C12 C11 -2.8(13) . . . . ?
Rh3 O5 C19 C20 -19.2(14) . . . . ?
Rh3 O5 C19 C18 161.4(6) . . . . ?
Rh3 O5 C19 C22' 161.4(6) . . . . ?
C13 C18 C19 O5 -179.8(8) . . . . ?
C17 C18 C19 O5 5.6(14) . . . . ?
C13 C18 C19 C20 0.8(14) . . . . ?
C17 C18 C19 C20 -173.8(10) . . . . ?
C23' C22' C19 O5 -179.8(8) . . . . ?
C23' C22' C19 C20 0.8(14) . . . . ?
O5 C19 C20 C21 3.2(14) . . . . ?
C18 C19 C20 C21 -177.4(9) . . . . ?
C22' C19 C20 C21 -177.4(9) . . . . ?
O5 C19 C20 C11 -177.1(8) . . . . ?
C18 C19 C20 C11 2.2(13) . . . . ?
C22' C19 C20 C11 2.2(13) . . . . ?
C12 C11 C20 C19 -5.5(12) . . . . ?
C10 C11 C20 C19 176.1(8) . . . . ?
C12 C11 C20 C21 174.1(8) . . . . ?
C10 C11 C20 C21 -4.2(12) . . . . ?
Rh3 O6 C21 C20 -0.5(14) . . . . ?
Rh3 O6 C21 C22 -179.0(6) . . . . ?
Rh3 O6 C21 C18' -179.0(6) . . . . ?
C19 C20 C21 O6 6.9(15) . . . . ?
C11 C20 C21 O6 -172.7(9) . . . . ?
C19 C20 C21 C22 -174.6(8) . . . . ?
C11 C20 C21 C22 5.8(12) . . . . ?
C19 C20 C21 C18' -174.6(8) . . . . ?
C11 C20 C21 C18' 5.8(12) . . . . ?
C23 C22 C21 O6 176.6(8) . . . . ?
C23 C22 C21 C20 -2.1(13) . . . . ?
C13' C18' C21 O6 176.6(8) . . . . ?
C17' C18' C21 O6 -6.7(18) . . . . ?
C13' C18' C21 C20 -2.1(13) . . . . ?
C17' C18' C21 C20 174.6(15) . . . . ?
C28 N1 C24 C25 5(2) . . . . ?
C29 N1 C24 C25 179.4(12) . . . . ?
N1 C24 C25 C26 0(2) . . . . ?
Rh1 O7 C26 C25 -15.2(17) . . . . ?
Rh1 O7 C26 C27 172.0(10) . . . . ?
C24 C25 C26 O7 -178.7(11) . . . . ?
C24 C25 C26 C27 -5.9(19) . . . . ?
O7 C26 C27 C28 179.4(14) . . . . ?
C25 C26 C27 C28 6(2) . . . . ?
C26 C27 C28 N1 -1(3) . . . . ?
C24 N1 C28 C27 -4(3) . . . . ?
C29 N1 C28 C27 -179.1(16) . . . . ?
C24 N1 C29 C30 -110.5(15) . . . . ?
C28 N1 C29 C30 64(2) . . . . ?
N1 C29 C30 C31 -112.5(15) . . . . ?
N1 C29 C30 C35 70.2(19) . . . . ?
C35 C30 C31 C32 -3.7(19) . . . . ?
C29 C30 C31 C32 179.0(12) . . . . ?
C30 C31 C32 C33 1.7(17) . . . . ?
C31 C32 C33 C34 3.6(16) . . . . ?
C31 C32 C33 C38 -179.0(10) . . . . ?
C32 C33 C34 C35 -6.7(17) . . . . ?
C38 C33 C34 C35 176.0(11) . . . . ?
C31 C30 C35 C34 0(2) . . . . ?
C29 C30 C35 C34 177.6(13) . . . . ?
C33 C34 C35 C30 5(2) . . . . ?
C41 C36 C37 C38 0.0(17) . . . . ?
C36 C37 C38 C39 -1.5(15) . . . . ?
C36 C37 C38 C33 -178.0(9) . . . . ?
C32 C33 C38 C37 26.5(15) . . . . ?
C34 C33 C38 C37 -156.2(11) . . . . ?
C32 C33 C38 C39 -150.1(10) . . . . ?
C34 C33 C38 C39 27.3(14) . . . . ?
C37 C38 C39 C40 4.4(15) . . . . ?
C33 C38 C39 C40 -178.8(9) . . . . ?
C38 C39 C40 C41 -6.3(17) . . . . ?
C39 C40 C41 C36 4.6(16) . . . . ?
C39 C40 C41 C42 -177.4(10) . . . . ?
C37 C36 C41 C40 -1.5(17) . . . . ?
C37 C36 C41 C42 -179.3(11) . . . . ?
C43 N2 C42 C41 -113.1(13) . . . . ?
C47 N2 C42 C41 63.9(15) . . . . ?
C40 C41 C42 N2 -109.3(14) . . . . ?
C36 C41 C42 N2 68.4(15) . . . . ?
C47 N2 C43 C44 6.6(16) . . . . ?
C42 N2 C43 C44 -176.4(11) . . . . ?
N2 C43 C44 C45 -2.4(18) . . . . ?
Rh2 O8 C45 C46 176.9(7) . . . . ?
Rh2 O8 C45 C44 -5.5(15) . . . . ?
C43 C44 C45 O8 179.5(11) . . . . ?
C43 C44 C45 C46 -2.8(17) . . . . ?
O8 C45 C46 C47 -178.4(10) . . . . ?
C44 C45 C46 C47 3.7(16) . . . . ?
C43 N2 C47 C46 -5.5(17) . . . . ?
C42 N2 C47 C46 177.4(11) . . . . ?
C45 C46 C47 N2 0.2(18) . . . . ?
C52 N3 C48 C49 9(2) . . . . ?
C53 N3 C48 C49 176.8(13) . . . . ?
N3 C48 C49 C50 -5(2) . . . . ?
Rh3 O9 C50 C51 171.2(11) . . . . ?
Rh3 O9 C50 C49 -16.2(19) . . . . ?
C48 C49 C50 O9 -175.8(13) . . . . ?
C48 C49 C50 C51 -3(2) . . . . ?
O9 C50 C51 C52 179.8(15) . . . . ?
C49 C50 C51 C52 7(2) . . . . ?
C48 N3 C52 C51 -5(3) . . . . ?
C53 N3 C52 C51 -173.1(16) . . . . ?
C50 C51 C52 N3 -3(3) . . . . ?
C52 N3 C53 C54 59(2) . . . . ?
C48 N3 C53 C54 -109.3(16) . . . . ?
N3 C53 C54 C59 73.9(19) . . . . ?
N3 C53 C54 C55 -104.7(15) . . . . ?
C59 C54 C55 C56 1.3(19) . . . . ?
C53 C54 C55 C56 180.0(12) . . . . ?
C54 C55 C56 C57 -0.7(19) . . . . ?
C55 C56 C57 C58 -0.5(18) . . . . ?
C55 C56 C57 C57 179.4(10) . . . 2_656 ?
C56 C57 C58 C59 1.0(16) . . . . ?
C57 C57 C58 C59 -178.9(8) 2_656 . . . ?
C55 C54 C59 C58 -1(2) . . . . ?
C53 C54 C59 C58 -179.6(11) . . . . ?
C57 C58 C59 C54 -0.3(19) . . . . ?
C64 C60 C61 C62 2(2) . . . . ?
C65 C60 C61 C62 -175.9(19) . . . . ?
Rh1 C60 C61 C62 64.2(14) . . . . ?
C64 C60 C61 C66 180(2) . . . . ?
C65 C60 C61 C66 2(4) . . . . ?
Rh1 C60 C61 C66 -118(3) . . . . ?
C64 C60 C61 Rh1 -61.9(11) . . . . ?
C65 C60 C61 Rh1 120(2) . . . . ?
C60 C61 C62 C63 -5(2) . . . . ?
C66 C61 C62 C63 177(2) . . . . ?
Rh1 C61 C62 C63 58.5(13) . . . . ?
C60 C61 C62 C67 180(2) . . . . ?
C66 C61 C62 C67 2(4) . . . . ?
Rh1 C61 C62 C67 -117(3) . . . . ?
C60 C61 C62 Rh1 -63.7(13) . . . . ?
C66 C61 C62 Rh1 118(2) . . . . ?
C61 C62 C63 C64 6(2) . . . . ?
C67 C62 C63 C64 -177.7(17) . . . . ?
Rh1 C62 C63 C64 64.4(11) . . . . ?
C61 C62 C63 C68 177.8(16) . . . . ?
C67 C62 C63 C68 -6(3) . . . . ?
Rh1 C62 C63 C68 -124.0(17) . . . . ?
C61 C62 C63 Rh1 -58.2(14) . . . . ?
C67 C62 C63 Rh1 118.0(18) . . . . ?
C62 C63 C64 C60 -4.8(19) . . . . ?
C68 C63 C64 C60 -177.4(14) . . . . ?
Rh1 C63 C64 C60 58.8(12) . . . . ?
C62 C63 C64 C69 178.7(17) . . . . ?
C68 C63 C64 C69 6(3) . . . . ?
Rh1 C63 C64 C69 -117.7(18) . . . . ?
C62 C63 C64 Rh1 -63.6(11) . . . . ?
C68 C63 C64 Rh1 123.8(15) . . . . ?
C61 C60 C64 C63 1.7(19) . . . . ?
C65 C60 C64 C63 179.9(18) . . . . ?
Rh1 C60 C64 C63 -58.3(12) . . . . ?
C61 C60 C64 C69 178.3(16) . . . . ?
C65 C60 C64 C69 -3(3) . . . . ?
Rh1 C60 C64 C69 118.4(17) . . . . ?
C61 C60 C64 Rh1 60.0(11) . . . . ?
C65 C60 C64 Rh1 -121.8(19) . . . . ?
C74 C70 C71 C72 2.0(12) . . . . ?
C75 C70 C71 C72 178.2(11) . . . . ?
Rh2 C70 C71 C72 63.4(7) . . . . ?
C74 C70 C71 C76 176.7(13) . . . . ?
C75 C70 C71 C76 -7(2) . . . . ?
Rh2 C70 C71 C76 -121.9(14) . . . . ?
C74 C70 C71 Rh2 -61.4(7) . . . . ?
C75 C70 C71 Rh2 114.8(12) . . . . ?
C76 C71 C72 C73 -176.7(12) . . . . ?
C70 C71 C72 C73 -2.0(12) . . . . ?
Rh2 C71 C72 C73 60.2(8) . . . . ?
C76 C71 C72 C77 5(2) . . . . ?
C70 C71 C72 C77 179.9(11) . . . . ?
Rh2 C71 C72 C77 -117.9(11) . . . . ?
C76 C71 C72 Rh2 123.2(14) . . . . ?
C70 C71 C72 Rh2 -62.2(7) . . . . ?
C71 C72 C73 C74 1.3(12) . . . . ?
C77 C72 C73 C74 179.3(11) . . . . ?
Rh2 C72 C73 C74 60.3(7) . . . . ?
C71 C72 C73 C78 -176.5(10) . . . . ?
C77 C72 C73 C78 1.5(18) . . . . ?
Rh2 C72 C73 C78 -117.5(11) . . . . ?
C71 C72 C73 Rh2 -59.0(8) . . . . ?
C77 C72 C73 Rh2 119.1(12) . . . . ?
C72 C73 C74 C70 0.0(12) . . . . ?
C78 C73 C74 C70 177.8(11) . . . . ?
Rh2 C73 C74 C70 60.1(7) . . . . ?
C72 C73 C74 C79 -179.3(10) . . . . ?
C78 C73 C74 C79 -1.5(17) . . . . ?
Rh2 C73 C74 C79 -119.2(10) . . . . ?
C72 C73 C74 Rh2 -60.0(7) . . . . ?
C78 C73 C74 Rh2 117.7(11) . . . . ?
C71 C70 C74 C73 -1.3(12) . . . . ?
C75 C70 C74 C73 -177.5(11) . . . . ?
Rh2 C70 C74 C73 -62.0(7) . . . . ?
C71 C70 C74 C79 177.9(11) . . . . ?
C75 C70 C74 C79 1.7(19) . . . . ?
Rh2 C70 C74 C79 117.2(12) . . . . ?
C71 C70 C74 Rh2 60.7(7) . . . . ?
C75 C70 C74 Rh2 -115.5(12) . . . . ?
C84 C80 C81 C82 7.0(17) . . . . ?
C85 C80 C81 C82 -175.2(14) . . . . ?
Rh3 C80 C81 C82 67.1(10) . . . . ?
C84 C80 C81 C86 173.5(17) . . . . ?
C85 C80 C81 C86 -9(3) . . . . ?
Rh3 C80 C81 C86 -126(2) . . . . ?
C84 C80 C81 Rh3 -60.1(10) . . . . ?
C85 C80 C81 Rh3 117.7(14) . . . . ?
C80 C81 C82 C83 -8.7(18) . . . . ?
C86 C81 C82 C83 -173.5(19) . . . . ?
Rh3 C81 C82 C83 58.3(12) . . . . ?
C80 C81 C82 C87 174.6(15) . . . . ?
C86 C81 C82 C87 10(3) . . . . ?
Rh3 C81 C82 C87 -118.4(15) . . . . ?
C80 C81 C82 Rh3 -67.0(10) . . . . ?
C86 C81 C82 Rh3 128(2) . . . . ?
C81 C82 C83 C84 7.1(18) . . . . ?
C87 C82 C83 C84 -176.6(17) . . . . ?
Rh3 C82 C83 C84 62.8(10) . . . . ?
C81 C82 C83 C88 -177.4(16) . . . . ?
C87 C82 C83 C88 -1(3) . . . . ?
Rh3 C82 C83 C88 -121.8(17) . . . . ?
C81 C82 C83 Rh3 -55.6(12) . . . . ?
C87 C82 C83 Rh3 120.6(19) . . . . ?
C82 C83 C84 C80 -2.6(16) . . . . ?
C88 C83 C84 C80 -178.0(15) . . . . ?
Rh3 C83 C84 C80 59.3(9) . . . . ?
C82 C83 C84 C89 -179.2(16) . . . . ?
C88 C83 C84 C89 5(3) . . . . ?
Rh3 C83 C84 C89 -117.3(17) . . . . ?
C82 C83 C84 Rh3 -61.9(11) . . . . ?
C88 C83 C84 Rh3 122.7(16) . . . . ?
C81 C80 C84 C83 -2.9(16) . . . . ?
C85 C80 C84 C83 179.4(14) . . . . ?
Rh3 C80 C84 C83 -60.3(9) . . . . ?
C81 C80 C84 C89 173.9(16) . . . . ?
C85 C80 C84 C89 -4(2) . . . . ?
Rh3 C80 C84 C89 116.5(15) . . . . ?
C81 C80 C84 Rh3 57.4(11) . . . . ?
C85 C80 C84 Rh3 -120.3(15) . . . . ?

_refine_diff_density_max         1.215
_refine_diff_density_min         -0.868
_refine_diff_density_rms         0.108




####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
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data_platon_sq_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2035949'
loop_
_audit_author_name
_audit_author_address
'Xiang Gao' 'FuDan University'
_audit_update_record             
;
2020-10-08 deposited with the CCDC.	2020-11-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C62 H59 F6 N3 O12 Rh2 S2'
_chemical_formula_weight         1422.06

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0148 0.0070 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0599 0.0411 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0253 0.0136 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0412 0.0250 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -0.0162 2.8654 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.2924 0.4247 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   29.466(3)
_cell_length_b                   8.3663(8)
_cell_length_c                   25.342(2)
_cell_angle_alpha                90
_cell_angle_beta                 95.104(4)
_cell_angle_gamma                90
_cell_volume                     6222.6(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9323
_cell_measurement_theta_min      4.19
_cell_measurement_theta_max      57.95

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.518
_exptl_crystal_F_000             2896
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.510
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    3.718
_shelx_estimated_absorpt_T_min   0.253
_shelx_estimated_absorpt_T_max   0.755
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5187
_exptl_absorpt_correction_T_max  0.7514
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     1.34138
_diffrn_radiation_type           GaK\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            24535
_diffrn_reflns_av_unetI/netI     0.0681
_diffrn_reflns_av_R_equivalents  0.0973
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         3.838
_diffrn_reflns_theta_max         56.988
_diffrn_reflns_theta_full        53.594
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             6369
_reflns_number_gt                4939
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
;
 w=1/[σ²(Fo²)+(0.0555P)²+5.7918P]
 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         6369
_refine_ls_number_parameters     384
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0670
_refine_ls_R_factor_gt           0.0458
_refine_ls_wR_factor_ref         0.1216
_refine_ls_wR_factor_gt          0.1110
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_restrained_S_all      1.049
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.62468(2) 0.44989(4) 0.41715(2) 0.03486(11) Uani 1 1 d . . . . .
S1 S 0.78787(3) 0.78832(15) 0.35953(5) 0.0527(3) Uani 1 1 d . . . . .
O1 O 0.58738(8) 0.5382(3) 0.47709(10) 0.0373(6) Uani 1 1 d . . . . .
O2 O 0.56292(9) 0.3796(4) 0.38004(11) 0.0477(7) Uani 1 1 d . . . . .
O3 O 0.62013(11) 0.2265(4) 0.45836(11) 0.0463(7) Uani 1 1 d . . . . .
O4 O 0.7728(2) 0.8949(7) 0.39857(16) 0.0889(14) Uani 1 1 d . . . . .
O5 O 0.77144(14) 0.6268(5) 0.3607(2) 0.0825(13) Uani 1 1 d . . . . .
O6 O 0.83480(12) 0.8038(6) 0.3493(2) 0.0915(15) Uani 1 1 d . . . . .
N1 N 0.64833(12) 0.1510(4) 0.61686(13) 0.0425(7) Uani 1 1 d . . . . .
F1 F 0.71445(12) 0.8655(7) 0.29961(19) 0.1121(16) Uani 1 1 d . . . . .
F2 F 0.77219(16) 1.0177(5) 0.29207(16) 0.0869(11) Uani 1 1 d . . . . .
F3 F 0.7690(2) 0.7866(6) 0.25723(15) 0.1115(17) Uani 1 1 d . . . . .
C1 C 0.54640(12) 0.5134(5) 0.48551(15) 0.0333(7) Uani 1 1 d . . . . .
C2 C 0.51272(11) 0.4434(4) 0.44842(14) 0.0320(7) Uani 1 1 d . . . . .
C3 C 0.52297(12) 0.3896(5) 0.39700(15) 0.0362(8) Uani 1 1 d . . . . .
C4 C 0.48563(13) 0.3428(5) 0.36062(15) 0.0398(8) Uani 1 1 d . . . . .
H4 H 0.4915 0.3124 0.3258 0.048 Uiso 1 1 calc R U . . .
C5 C 0.44154(13) 0.3402(5) 0.37411(16) 0.0406(8) Uani 1 1 d . . . . .
H5 H 0.4175 0.3086 0.3488 0.049 Uiso 1 1 calc R U . . .
C6 C 0.43199(12) 0.3841(5) 0.42526(16) 0.0380(8) Uani 1 1 d . . . . .
H6 H 0.4016 0.3783 0.4350 0.046 Uiso 1 1 calc R U . . .
C7 C 0.46639(12) 0.4358(5) 0.46157(14) 0.0329(7) Uani 1 1 d . . . . .
C8 C 0.65940(13) 0.2927(5) 0.59550(16) 0.0415(8) Uani 1 1 d . . . . .
H8 H 0.6733 0.3733 0.6179 0.050 Uiso 1 1 calc R U . . .
C9 C 0.65116(13) 0.3225(5) 0.54272(16) 0.0409(8) Uani 1 1 d . . . . .
H9 H 0.6597 0.4226 0.5290 0.049 Uiso 1 1 calc R U . . .
C10 C 0.63010(13) 0.2071(5) 0.50809(15) 0.0391(8) Uani 1 1 d . . . . .
C11 C 0.61920(17) 0.0587(5) 0.53240(17) 0.0480(9) Uani 1 1 d . . . . .
H11 H 0.6050 -0.0244 0.5114 0.058 Uiso 1 1 calc R U . . .
C12 C 0.62902(17) 0.0362(5) 0.58536(18) 0.0490(10) Uani 1 1 d . . . . .
H12 H 0.6220 -0.0637 0.6005 0.059 Uiso 1 1 calc R U . . .
C13 C 0.65384(15) 0.1278(6) 0.67515(16) 0.0472(9) Uani 1 1 d . . . . .
H13A H 0.6725 0.2156 0.6918 0.057 Uiso 1 1 calc R U . . .
H13B H 0.6699 0.0257 0.6836 0.057 Uiso 1 1 calc R U . . .
C14 C 0.60800(14) 0.1252(5) 0.69718(14) 0.0419(8) Uani 1 1 d . . . . .
C15 C 0.59405(15) -0.0089(5) 0.72376(17) 0.0449(9) Uani 1 1 d . . . . .
H15 H 0.6134 -0.0996 0.7277 0.054 Uiso 1 1 calc R U . . .
C16 C 0.55166(16) -0.0117(5) 0.74482(16) 0.0430(9) Uani 1 1 d . . . . .
H16 H 0.5426 -0.1038 0.7631 0.052 Uiso 1 1 calc R U . . .
C17 C 0.52249(14) 0.1218(5) 0.73890(14) 0.0403(8) Uani 1 1 d . . . . .
C18 C 0.53726(16) 0.2546(6) 0.71203(16) 0.0463(9) Uani 1 1 d . . . . .
H18 H 0.5181 0.3458 0.7076 0.056 Uiso 1 1 calc R U . . .
C19 C 0.57920(17) 0.2564(6) 0.69174(17) 0.0494(10) Uani 1 1 d . . . . .
H19 H 0.5885 0.3489 0.6738 0.059 Uiso 1 1 calc R U . . .
C20 C 0.67434(13) 0.6395(6) 0.41872(18) 0.0485(10) Uani 1 1 d . . . . .
C21 C 0.69751(12) 0.4913(6) 0.42257(17) 0.0474(10) Uani 1 1 d . . . . .
C22 C 0.68306(14) 0.4006(6) 0.37612(18) 0.0504(10) Uani 1 1 d . . . . .
C23 C 0.65157(14) 0.4940(6) 0.34331(16) 0.0465(10) Uani 1 1 d . . . . .
C24 C 0.64464(13) 0.6405(5) 0.36976(17) 0.0447(9) Uani 1 1 d . . . . .
C25 C 0.6784(2) 0.7701(9) 0.4587(3) 0.0798(18) Uani 1 1 d . . . . .
H25A H 0.6867 0.7248 0.4939 0.120 Uiso 1 1 calc R U . . .
H25B H 0.6491 0.8258 0.4587 0.120 Uiso 1 1 calc R U . . .
H25C H 0.7019 0.8458 0.4498 0.120 Uiso 1 1 calc R U . . .
C26 C 0.73331(16) 0.4415(10) 0.4644(2) 0.081(2) Uani 1 1 d . . . . .
H26A H 0.7633 0.4749 0.4544 0.122 Uiso 1 1 calc R U . . .
H26B H 0.7328 0.3250 0.4683 0.122 Uiso 1 1 calc R U . . .
H26C H 0.7275 0.4918 0.4981 0.122 Uiso 1 1 calc R U . . .
C27 C 0.6995(2) 0.2373(8) 0.3644(3) 0.0812(19) Uani 1 1 d . . . . .
H27A H 0.6768 0.1829 0.3402 0.122 Uiso 1 1 calc R U . . .
H27B H 0.7045 0.1763 0.3974 0.122 Uiso 1 1 calc R U . . .
H27C H 0.7283 0.2452 0.3478 0.122 Uiso 1 1 calc R U . . .
C28 C 0.6278(2) 0.4455(9) 0.2916(2) 0.0734(17) Uani 1 1 d . . . . .
H28A H 0.6446 0.4868 0.2627 0.110 Uiso 1 1 calc R U . . .
H28B H 0.5968 0.4892 0.2884 0.110 Uiso 1 1 calc R U . . .
H28C H 0.6265 0.3286 0.2895 0.110 Uiso 1 1 calc R U . . .
C29 C 0.6153(2) 0.7769(9) 0.3490(3) 0.0807(19) Uani 1 1 d . . . . .
H29A H 0.6293 0.8286 0.3197 0.121 Uiso 1 1 calc R U . . .
H29B H 0.6123 0.8547 0.3774 0.121 Uiso 1 1 calc R U . . .
H29C H 0.5850 0.7366 0.3362 0.121 Uiso 1 1 calc R U . . .
C30 C 0.75923(18) 0.8667(7) 0.2992(2) 0.0603(12) 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 O2 2.058(3) . ?
Rh1 O1 2.088(2) . ?
Rh1 C24 2.111(4) . ?
Rh1 C22 2.128(4) . ?
Rh1 C23 2.128(4) . ?
Rh1 O3 2.151(3) . ?
Rh1 C20 2.156(4) . ?
Rh1 C21 2.166(4) . ?
S1 O4 1.431(5) . ?
S1 O6 1.435(4) . ?
S1 O5 1.436(4) . ?
S1 C30 1.803(5) . ?
O1 C1 1.262(4) . ?
O2 C3 1.291(4) . ?
O3 C10 1.279(5) . ?
N1 C12 1.343(6) . ?
N1 C8 1.355(6) . ?
N1 C13 1.484(5) . ?
F1 C30 1.321(6) . ?
F2 C30 1.337(7) . ?
F3 C30 1.310(7) . ?
C1 C2 1.430(5) . ?
C1 C7 1.487(5) 5_666 ?
C2 C7 1.435(4) . ?
C2 C3 1.436(5) . ?
C3 C4 1.426(5) . ?
C4 C5 1.372(5) . ?
C4 H4 0.9500 . ?
C5 C6 1.400(5) . ?
C5 H5 0.9500 . ?
C6 C7 1.377(5) . ?
C6 H6 0.9500 . ?
C7 C1 1.487(5) 5_666 ?
C8 C9 1.361(6) . ?
C8 H8 0.9500 . ?
C9 C10 1.411(6) . ?
C9 H9 0.9500 . ?
C10 C11 1.435(6) . ?
C11 C12 1.361(7) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C14 1.507(6) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C19 1.387(6) . ?
C14 C15 1.390(6) . ?
C15 C16 1.402(7) . ?
C15 H15 0.9500 . ?
C16 C17 1.409(6) . ?
C16 H16 0.9500 . ?
C17 C18 1.393(6) . ?
C17 C17 1.485(8) 2_656 ?
C18 C19 1.380(7) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 C21 1.414(7) . ?
C20 C24 1.453(6) . ?
C20 C25 1.488(8) . ?
C21 C22 1.433(7) . ?
C21 C26 1.487(6) . ?
C22 C23 1.424(7) . ?
C22 C27 1.489(8) . ?
C23 C24 1.420(7) . ?
C23 C28 1.486(7) . ?
C24 C29 1.499(7) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 Rh1 O1 86.11(10) . . ?
O2 Rh1 C24 103.63(15) . . ?
O1 Rh1 C24 109.75(14) . . ?
O2 Rh1 C22 116.21(16) . . ?
O1 Rh1 C22 157.65(16) . . ?
C24 Rh1 C22 65.81(17) . . ?
O2 Rh1 C23 91.78(14) . . ?
O1 Rh1 C23 147.10(16) . . ?
C24 Rh1 C23 39.14(19) . . ?
C22 Rh1 C23 39.08(18) . . ?
O2 Rh1 O3 83.28(13) . . ?
O1 Rh1 O3 83.96(11) . . ?
C24 Rh1 O3 164.81(14) . . ?
C22 Rh1 O3 99.02(16) . . ?
C23 Rh1 O3 128.45(16) . . ?
O2 Rh1 C20 142.15(16) . . ?
O1 Rh1 C20 97.27(14) . . ?
C24 Rh1 C20 39.81(17) . . ?
C22 Rh1 C20 64.84(19) . . ?
C23 Rh1 C20 65.38(17) . . ?
O3 Rh1 C20 134.56(15) . . ?
O2 Rh1 C21 154.86(14) . . ?
O1 Rh1 C21 118.68(14) . . ?
C24 Rh1 C21 65.83(16) . . ?
C22 Rh1 C21 38.98(19) . . ?
C23 Rh1 C21 65.40(16) . . ?
O3 Rh1 C21 102.27(15) . . ?
C20 Rh1 C21 38.19(19) . . ?
O4 S1 O6 115.5(3) . . ?
O4 S1 O5 116.5(3) . . ?
O6 S1 O5 114.9(3) . . ?
O4 S1 C30 102.1(3) . . ?
O6 S1 C30 101.6(3) . . ?
O5 S1 C30 103.1(3) . . ?
C1 O1 Rh1 129.7(2) . . ?
C3 O2 Rh1 128.7(2) . . ?
C10 O3 Rh1 124.8(3) . . ?
C12 N1 C8 119.5(4) . . ?
C12 N1 C13 120.1(4) . . ?
C8 N1 C13 120.2(4) . . ?
O1 C1 C2 125.1(3) . . ?
O1 C1 C7 115.4(3) . 5_666 ?
C2 C1 C7 119.5(3) . 5_666 ?
C1 C2 C7 119.0(3) . . ?
C1 C2 C3 122.3(3) . . ?
C7 C2 C3 118.6(3) . . ?
O2 C3 C4 116.2(3) . . ?
O2 C3 C2 126.4(3) . . ?
C4 C3 C2 117.4(3) . . ?
C5 C4 C3 122.4(3) . . ?
C5 C4 H4 118.8 . . ?
C3 C4 H4 118.8 . . ?
C4 C5 C6 119.9(3) . . ?
C4 C5 H5 120.0 . . ?
C6 C5 H5 120.0 . . ?
C7 C6 C5 120.3(3) . . ?
C7 C6 H6 119.8 . . ?
C5 C6 H6 119.8 . . ?
C6 C7 C2 121.2(3) . . ?
C6 C7 C1 117.5(3) . 5_666 ?
C2 C7 C1 121.3(3) . 5_666 ?
N1 C8 C9 121.6(4) . . ?
N1 C8 H8 119.2 . . ?
C9 C8 H8 119.2 . . ?
C8 C9 C10 121.1(4) . . ?
C8 C9 H9 119.5 . . ?
C10 C9 H9 119.5 . . ?
O3 C10 C9 125.2(4) . . ?
O3 C10 C11 119.5(4) . . ?
C9 C10 C11 115.3(4) . . ?
C12 C11 C10 120.5(4) . . ?
C12 C11 H11 119.8 . . ?
C10 C11 H11 119.8 . . ?
N1 C12 C11 121.9(4) . . ?
N1 C12 H12 119.0 . . ?
C11 C12 H12 119.0 . . ?
N1 C13 C14 110.4(3) . . ?
N1 C13 H13A 109.6 . . ?
C14 C13 H13A 109.6 . . ?
N1 C13 H13B 109.6 . . ?
C14 C13 H13B 109.6 . . ?
H13A C13 H13B 108.1 . . ?
C19 C14 C15 118.8(4) . . ?
C19 C14 C13 120.9(4) . . ?
C15 C14 C13 120.3(4) . . ?
C14 C15 C16 120.7(4) . . ?
C14 C15 H15 119.7 . . ?
C16 C15 H15 119.7 . . ?
C15 C16 C17 120.1(4) . . ?
C15 C16 H16 119.9 . . ?
C17 C16 H16 119.9 . . ?
C18 C17 C16 118.0(4) . . ?
C18 C17 C17 120.9(3) . 2_656 ?
C16 C17 C17 121.1(3) . 2_656 ?
C19 C18 C17 121.3(4) . . ?
C19 C18 H18 119.3 . . ?
C17 C18 H18 119.3 . . ?
C18 C19 C14 121.0(4) . . ?
C18 C19 H19 119.5 . . ?
C14 C19 H19 119.5 . . ?
C21 C20 C24 108.3(4) . . ?
C21 C20 C25 126.0(5) . . ?
C24 C20 C25 125.6(5) . . ?
C21 C20 Rh1 71.3(3) . . ?
C24 C20 Rh1 68.4(2) . . ?
C25 C20 Rh1 124.5(3) . . ?
C20 C21 C22 107.5(4) . . ?
C20 C21 C26 127.0(5) . . ?
C22 C21 C26 125.2(5) . . ?
C20 C21 Rh1 70.5(2) . . ?
C22 C21 Rh1 69.1(2) . . ?
C26 C21 Rh1 129.5(3) . . ?
C23 C22 C21 108.6(4) . . ?
C23 C22 C27 126.5(5) . . ?
C21 C22 C27 124.9(5) . . ?
C23 C22 Rh1 70.5(2) . . ?
C21 C22 Rh1 71.9(2) . . ?
C27 C22 Rh1 124.6(4) . . ?
C24 C23 C22 108.2(4) . . ?
C24 C23 C28 125.2(5) . . ?
C22 C23 C28 126.6(5) . . ?
C24 C23 Rh1 69.8(2) . . ?
C22 C23 Rh1 70.5(2) . . ?
C28 C23 Rh1 123.0(3) . . ?
C23 C24 C20 107.3(4) . . ?
C23 C24 C29 126.4(5) . . ?
C20 C24 C29 126.1(5) . . ?
C23 C24 Rh1 71.1(2) . . ?
C20 C24 Rh1 71.8(2) . . ?
C29 C24 Rh1 126.4(3) . . ?
C20 C25 H25A 109.5 . . ?
C20 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C20 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C21 C26 H26A 109.5 . . ?
C21 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C21 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C22 C27 H27A 109.5 . . ?
C22 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C22 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C23 C28 H28A 109.5 . . ?
C23 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C23 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C24 C29 H29A 109.5 . . ?
C24 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C24 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
F3 C30 F1 107.1(5) . . ?
F3 C30 F2 106.7(5) . . ?
F1 C30 F2 107.8(5) . . ?
F3 C30 S1 112.5(4) . . ?
F1 C30 S1 112.5(4) . . ?
F2 C30 S1 109.9(4) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rh1 O1 C1 C2 -14.2(6) . . . . ?
Rh1 O1 C1 C7 166.4(2) . . . 5_666 ?
O1 C1 C2 C7 -174.3(4) . . . . ?
C7 C1 C2 C7 5.1(6) 5_666 . . . ?
O1 C1 C2 C3 1.6(6) . . . . ?
C7 C1 C2 C3 -179.0(3) 5_666 . . . ?
Rh1 O2 C3 C4 175.0(3) . . . . ?
Rh1 O2 C3 C2 -4.7(7) . . . . ?
C1 C2 C3 O2 8.4(7) . . . . ?
C7 C2 C3 O2 -175.7(4) . . . . ?
C1 C2 C3 C4 -171.3(4) . . . . ?
C7 C2 C3 C4 4.6(6) . . . . ?
O2 C3 C4 C5 176.9(4) . . . . ?
C2 C3 C4 C5 -3.4(7) . . . . ?
C3 C4 C5 C6 -0.1(7) . . . . ?
C4 C5 C6 C7 2.4(7) . . . . ?
C5 C6 C7 C2 -1.1(6) . . . . ?
C5 C6 C7 C1 177.7(4) . . . 5_666 ?
C1 C2 C7 C6 173.6(4) . . . . ?
C3 C2 C7 C6 -2.5(6) . . . . ?
C1 C2 C7 C1 -5.2(6) . . . 5_666 ?
C3 C2 C7 C1 178.8(3) . . . 5_666 ?
C12 N1 C8 C9 0.4(6) . . . . ?
C13 N1 C8 C9 -174.4(4) . . . . ?
N1 C8 C9 C10 0.9(6) . . . . ?
Rh1 O3 C10 C9 -8.7(6) . . . . ?
Rh1 O3 C10 C11 170.6(3) . . . . ?
C8 C9 C10 O3 178.2(4) . . . . ?
C8 C9 C10 C11 -1.1(6) . . . . ?
O3 C10 C11 C12 -179.2(4) . . . . ?
C9 C10 C11 C12 0.2(6) . . . . ?
C8 N1 C12 C11 -1.5(7) . . . . ?
C13 N1 C12 C11 173.3(4) . . . . ?
C10 C11 C12 N1 1.1(7) . . . . ?
C12 N1 C13 C14 -67.5(5) . . . . ?
C8 N1 C13 C14 107.3(4) . . . . ?
N1 C13 C14 C19 -60.8(6) . . . . ?
N1 C13 C14 C15 119.7(4) . . . . ?
C19 C14 C15 C16 -0.1(6) . . . . ?
C13 C14 C15 C16 179.4(4) . . . . ?
C14 C15 C16 C17 0.4(6) . . . . ?
C15 C16 C17 C18 -0.3(6) . . . . ?
C15 C16 C17 C17 -179.7(4) . . . 2_656 ?
C16 C17 C18 C19 -0.1(6) . . . . ?
C17 C17 C18 C19 179.3(4) 2_656 . . . ?
C17 C18 C19 C14 0.4(7) . . . . ?
C15 C14 C19 C18 -0.3(7) . . . . ?
C13 C14 C19 C18 -179.8(4) . . . . ?
C24 C20 C21 C22 0.8(4) . . . . ?
C25 C20 C21 C22 178.9(4) . . . . ?
Rh1 C20 C21 C22 59.4(3) . . . . ?
C24 C20 C21 C26 176.0(4) . . . . ?
C25 C20 C21 C26 -5.8(7) . . . . ?
Rh1 C20 C21 C26 -125.3(4) . . . . ?
C24 C20 C21 Rh1 -58.6(3) . . . . ?
C25 C20 C21 Rh1 119.5(4) . . . . ?
C20 C21 C22 C23 0.9(4) . . . . ?
C26 C21 C22 C23 -174.4(4) . . . . ?
Rh1 C21 C22 C23 61.3(3) . . . . ?
C20 C21 C22 C27 179.6(4) . . . . ?
C26 C21 C22 C27 4.3(7) . . . . ?
Rh1 C21 C22 C27 -120.0(5) . . . . ?
C20 C21 C22 Rh1 -60.3(3) . . . . ?
C26 C21 C22 Rh1 124.3(4) . . . . ?
C21 C22 C23 C24 -2.4(5) . . . . ?
C27 C22 C23 C24 179.0(4) . . . . ?
Rh1 C22 C23 C24 59.8(3) . . . . ?
C21 C22 C23 C28 -179.4(4) . . . . ?
C27 C22 C23 C28 1.9(7) . . . . ?
Rh1 C22 C23 C28 -117.2(5) . . . . ?
C21 C22 C23 Rh1 -62.2(3) . . . . ?
C27 C22 C23 Rh1 119.1(5) . . . . ?
C22 C23 C24 C20 2.8(4) . . . . ?
C28 C23 C24 C20 179.9(4) . . . . ?
Rh1 C23 C24 C20 63.1(3) . . . . ?
C22 C23 C24 C29 178.0(4) . . . . ?
C28 C23 C24 C29 -5.0(7) . . . . ?
Rh1 C23 C24 C29 -121.8(5) . . . . ?
C22 C23 C24 Rh1 -60.3(3) . . . . ?
C28 C23 C24 Rh1 116.8(4) . . . . ?
C21 C20 C24 C23 -2.2(4) . . . . ?
C25 C20 C24 C23 179.6(4) . . . . ?
Rh1 C20 C24 C23 -62.6(3) . . . . ?
C21 C20 C24 C29 -177.4(4) . . . . ?
C25 C20 C24 C29 4.5(7) . . . . ?
Rh1 C20 C24 C29 122.2(4) . . . . ?
C21 C20 C24 Rh1 60.4(3) . . . . ?
C25 C20 C24 Rh1 -117.7(4) . . . . ?
O4 S1 C30 F3 178.9(4) . . . . ?
O6 S1 C30 F3 59.4(5) . . . . ?
O5 S1 C30 F3 -59.8(5) . . . . ?
O4 S1 C30 F1 -60.0(5) . . . . ?
O6 S1 C30 F1 -179.6(5) . . . . ?
O5 S1 C30 F1 61.2(5) . . . . ?
O4 S1 C30 F2 60.2(5) . . . . ?
O6 S1 C30 F2 -59.4(5) . . . . ?
O5 S1 C30 F2 -178.6(4) . . . . ?

_refine_diff_density_max         0.875
_refine_diff_density_min         -0.541
_refine_diff_density_rms         0.112

_shelxl_version_number           2013-2





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

data_platon_sq_CCDC2
_database_code_depnum_ccdc_archive 'CCDC 2035948'
loop_
_audit_author_name
_audit_author_address
'Xiang Gao' 'FuDan University'
_audit_update_record             
;
2020-10-08 deposited with the CCDC.	2020-11-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C60 H72 F6 N2 O17 Rh2 S2'
_chemical_formula_weight         1477.13

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0583 0.0400 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -0.0161 2.8414 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.2925 0.4295 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   23.3272(13)
_cell_length_b                   25.9944(13)
_cell_length_c                   15.3921(7)
_cell_angle_alpha                90
_cell_angle_beta                 121.863(2)
_cell_angle_gamma                90
_cell_volume                     7927.0(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9908
_cell_measurement_theta_min      2.96
_cell_measurement_theta_max      54.93

_exptl_crystal_description       block
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.238
_exptl_crystal_F_000             3032
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.550
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    2.996
_shelx_estimated_absorpt_T_min   0.290
_shelx_estimated_absorpt_T_max   0.796
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.358
_exptl_absorpt_correction_T_max  0.751
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     1.34138
_diffrn_radiation_type           GaK\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            25891
_diffrn_reflns_av_unetI/netI     0.0806
_diffrn_reflns_av_R_equivalents  0.0764
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.929
_diffrn_reflns_theta_max         54.498
_diffrn_reflns_theta_full        53.594
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             7406
_reflns_number_gt                6134
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          
; 
 12 ISOR and 20 DFIX instructions were used to restrain 
 anions and ligands so that there were 92 restraints in the 
 data. 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1895P)²+7.6056P] 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         7406
_refine_ls_number_parameters     365
_refine_ls_number_restraints     92
_refine_ls_R_factor_all          0.0990
_refine_ls_R_factor_gt           0.0904
_refine_ls_wR_factor_ref         0.2646
_refine_ls_wR_factor_gt          0.2513
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_restrained_S_all      1.110
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.34610(2) 0.41931(2) 0.24942(3) 0.0528(2) Uani 1 1 d . . . . .
N1 N 0.2127(5) 0.6122(3) 0.1739(6) 0.116(3) Uani 1 1 d . . . . .
O1 O 0.4461(2) 0.43558(14) 0.3070(3) 0.0522(8) Uani 1 1 d . . . . .
O2 O 0.3602(2) 0.45059(14) 0.3822(3) 0.0553(8) Uani 1 1 d . . . . .
O3 O 0.3358(2) 0.49646(15) 0.1936(3) 0.0631(10) Uani 1 1 d . . . . .
O4 O 0.2278(13) 0.7366(8) 1.0547(12) 0.143(7) Uani 0.5 1 d D U P . .
O5 O 0.2279(14) 0.7549(8) 0.900(2) 0.161(8) Uani 0.5 1 d D U P . .
O6 O 0.1705(16) 0.8079(7) 0.950(2) 0.251(14) Uani 0.5 1 d D U P . .
S1 S 0.1963(6) 0.7551(5) 0.9549(7) 0.223(5) Uani 0.5 1 d D U P . .
F1 F 0.1226(16) 0.6783(7) 0.868(2) 0.283(15) Uani 0.5 1 d D U P . .
F2 F 0.0763(12) 0.7439(11) 0.907(2) 0.243(12) Uani 0.5 1 d D U P . .
F3 F 0.0890(14) 0.7513(11) 0.7830(15) 0.256(13) Uani 0.5 1 d D U P . .
C1 C 0.5963(3) 0.5049(2) 0.4672(4) 0.0518(11) Uani 1 1 d . . . . .
H1 H 0.636075 0.513191 0.467615 0.062 Uiso 1 1 calc R U . . .
C2 C 0.5493(3) 0.47531(18) 0.3921(3) 0.0486(10) Uani 1 1 d . . . . .
H2 H 0.558032 0.461362 0.343152 0.058 Uiso 1 1 calc R U . . .
C3 C 0.4858(3) 0.46391(16) 0.3830(3) 0.0432(9) Uani 1 1 d . . . . .
C4 C 0.4735(2) 0.48490(16) 0.4575(3) 0.0418(9) Uani 1 1 d . . . . .
C5 C 0.4120(2) 0.47533(17) 0.4520(3) 0.0448(9) Uani 1 1 d . . . . .
C6 C 0.2139(6) 0.5690(4) 0.2207(7) 0.105(3) Uani 1 1 d . . . . .
H6 H 0.185556 0.566082 0.247558 0.126 Uiso 1 1 calc R U . . .
C7 C 0.2547(4) 0.5283(3) 0.2317(5) 0.0802(18) Uani 1 1 d . . . . .
H7 H 0.254120 0.497707 0.265016 0.096 Uiso 1 1 calc R U . . .
C8 C 0.2991(4) 0.5327(3) 0.1915(4) 0.0691(15) Uani 1 1 d . . . . .
C9 C 0.2974(7) 0.5805(3) 0.1466(8) 0.101(3) Uani 1 1 d . . . . .
H9 H 0.327110 0.586678 0.123157 0.121 Uiso 1 1 calc R U . . .
C10 C 0.2536(8) 0.6175(4) 0.1369(8) 0.126(5) Uani 1 1 d . . . . .
H10 H 0.251599 0.648519 0.102689 0.152 Uiso 1 1 calc R U . . .
C11 C 0.1666(8) 0.6541(6) 0.1640(8) 0.156(6) Uani 1 1 d . . . . .
H11A H 0.121085 0.639513 0.137613 0.187 Uiso 1 1 calc R U . . .
H11B H 0.163013 0.679390 0.113312 0.187 Uiso 1 1 calc R U . . .
C12 C 0.1894(8) 0.6816(5) 0.2637(8) 0.127(5) Uani 1 1 d D . . . .
C13 C 0.2464(8) 0.7104(4) 0.3064(9) 0.124(4) Uani 1 1 d D U . . .
H13 H 0.270776 0.712341 0.272905 0.149 Uiso 1 1 calc R U . . .
C14 C 0.2707(8) 0.7375(4) 0.3985(9) 0.126(4) Uani 1 1 d D U . . .
H14 H 0.310920 0.757185 0.425574 0.151 Uiso 1 1 calc R U . . .
C15 C 0.2370(7) 0.7359(4) 0.4505(8) 0.117(4) Uani 1 1 d D U . . .
C16 C 0.1780(7) 0.7078(6) 0.4039(10) 0.134(4) Uani 1 1 d D U . . .
H16 H 0.151812 0.706713 0.434680 0.160 Uiso 1 1 calc R U . . .
C17 C 0.1553(8) 0.6806(6) 0.3120(11) 0.142(5) Uani 1 1 d . . . . .
H17 H 0.114837 0.661055 0.283467 0.170 Uiso 1 1 calc R U . . .
C18 C 0.2745(5) 0.3623(3) 0.2336(6) 0.083(2) Uani 1 1 d . . . . .
C19 C 0.2493(4) 0.3874(3) 0.1405(6) 0.084(2) Uani 1 1 d . . . . .
C20 C 0.2958(4) 0.3802(3) 0.1063(5) 0.0719(18) Uani 1 1 d . . . . .
C21 C 0.3486(4) 0.3492(2) 0.1792(6) 0.0762(18) Uani 1 1 d . . . . .
C22 C 0.3373(5) 0.3390(3) 0.2603(6) 0.084(2) Uani 1 1 d . . . . .
C23 C 0.2453(7) 0.3606(5) 0.2980(9) 0.126(4) Uani 1 1 d . . . . .
H23A H 0.214176 0.389592 0.280526 0.189 Uiso 1 1 calc R U . . .
H23B H 0.281541 0.363012 0.370149 0.189 Uiso 1 1 calc R U . . .
H23C H 0.220793 0.328235 0.286244 0.189 Uiso 1 1 calc R U . . .
C24 C 0.1847(5) 0.4154(5) 0.0836(11) 0.129(4) Uani 1 1 d . . . . .
H24A H 0.149712 0.392388 0.032824 0.194 Uiso 1 1 calc R U . . .
H24B H 0.189708 0.445034 0.048864 0.194 Uiso 1 1 calc R U . . .
H24C H 0.171787 0.427237 0.131349 0.194 Uiso 1 1 calc R U . . .
C25 C 0.2887(6) 0.4017(4) 0.0107(6) 0.108(3) Uani 1 1 d . . . . .
H25A H 0.247072 0.422011 -0.026273 0.162 Uiso 1 1 calc R U . . .
H25B H 0.327489 0.423830 0.028774 0.162 Uiso 1 1 calc R U . . .
H25C H 0.286854 0.373488 -0.032824 0.162 Uiso 1 1 calc R U . . .
C26 C 0.4090(5) 0.3337(4) 0.1749(10) 0.111(3) Uani 1 1 d . . . . .
H26A H 0.399473 0.338990 0.105493 0.167 Uiso 1 1 calc R U . . .
H26B H 0.419058 0.297334 0.193449 0.167 Uiso 1 1 calc R U . . .
H26C H 0.447886 0.354711 0.223103 0.167 Uiso 1 1 calc R U . . .
C27 C 0.3813(7) 0.3088(3) 0.3547(8) 0.133(5) Uani 1 1 d . . . . .
H27A H 0.372310 0.272028 0.339660 0.199 Uiso 1 1 calc R U . . .
H27B H 0.371913 0.318511 0.407512 0.199 Uiso 1 1 calc R U . . .
H27C H 0.428770 0.315933 0.379276 0.199 Uiso 1 1 calc R U . . .
C28 C 0.1140(12) 0.7276(9) 0.8704(19) 0.226(19) Uani 0.5 1 d 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 O1 2.055(4) . ?
Rh1 O2 2.059(3) . ?
Rh1 C22 2.112(6) . ?
Rh1 C20 2.130(5) . ?
Rh1 C21 2.135(6) . ?
Rh1 O3 2.144(4) . ?
Rh1 C19 2.145(7) . ?
Rh1 C18 2.149(6) . ?
N1 C6 1.327(14) . ?
N1 C10 1.353(15) . ?
N1 C11 1.480(12) . ?
O1 C3 1.275(6) . ?
O2 C5 1.288(6) . ?
O3 C8 1.261(8) . ?
O4 O5 0.92(3) 7_567 ?
O4 S1 1.392(14) . ?
O4 S1 1.87(3) 7_567 ?
O5 S1 1.383(15) . ?
O5 S1 2.00(3) 7_567 ?
O6 S1 1.484(9) . ?
S1 C28 1.802(18) . ?
S1 S1 2.15(2) 7_567 ?
F1 C28 1.301(17) . ?
F2 C28 1.337(18) . ?
F3 C28 1.305(18) . ?
C1 C2 1.339(7) . ?
C1 C5 1.450(6) 5_666 ?
C1 H1 0.9500 . ?
C2 C3 1.443(7) . ?
C2 H2 0.9500 . ?
C3 C4 1.429(6) . ?
C4 C5 1.412(7) . ?
C4 C4 1.467(9) 5_666 ?
C6 C7 1.371(12) . ?
C6 H6 0.9500 . ?
C7 C8 1.465(10) . ?
C7 H7 0.9500 . ?
C8 C9 1.413(10) . ?
C9 C10 1.352(13) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C11 C12 1.512(17) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 C17 1.346(18) . ?
C12 C13 1.355(14) . ?
C13 C14 1.407(14) . ?
C13 H13 0.9500 . ?
C14 C15 1.388(14) . ?
C14 H14 0.9500 . ?
C15 C16 1.379(14) . ?
C15 C15 1.50(2) 7_566 ?
C16 C17 1.41(2) . ?
C16 H16 0.9500 . ?
C17 H17 0.9500 . ?
C18 C19 1.392(12) . ?
C18 C22 1.430(12) . ?
C18 C23 1.470(12) . ?
C19 C20 1.445(11) . ?
C19 C24 1.475(15) . ?
C20 C21 1.402(11) . ?
C20 C25 1.499(11) . ?
C21 C22 1.429(11) . ?
C21 C26 1.500(12) . ?
C22 C27 1.486(14) . ?
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 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Rh1 O2 86.60(14) . . ?
O1 Rh1 C22 107.7(3) . . ?
O2 Rh1 C22 106.4(2) . . ?
O1 Rh1 C20 115.1(2) . . ?
O2 Rh1 C20 158.1(2) . . ?
C22 Rh1 C20 65.6(3) . . ?
O1 Rh1 C21 93.8(2) . . ?
O2 Rh1 C21 143.8(2) . . ?
C22 Rh1 C21 39.3(3) . . ?
C20 Rh1 C21 38.4(3) . . ?
O1 Rh1 O3 80.90(16) . . ?
O2 Rh1 O3 87.35(14) . . ?
C22 Rh1 O3 163.9(2) . . ?
C20 Rh1 O3 98.5(2) . . ?
C21 Rh1 O3 128.5(2) . . ?
O1 Rh1 C19 154.6(2) . . ?
O2 Rh1 C19 118.7(2) . . ?
C22 Rh1 C19 64.8(3) . . ?
C20 Rh1 C19 39.5(3) . . ?
C21 Rh1 C19 64.7(3) . . ?
O3 Rh1 C19 101.5(3) . . ?
O1 Rh1 C18 145.9(3) . . ?
O2 Rh1 C18 95.3(2) . . ?
C22 Rh1 C18 39.2(3) . . ?
C20 Rh1 C18 65.3(2) . . ?
C21 Rh1 C18 65.2(3) . . ?
O3 Rh1 C18 133.2(3) . . ?
C19 Rh1 C18 37.8(3) . . ?
C6 N1 C10 119.8(8) . . ?
C6 N1 C11 119.0(11) . . ?
C10 N1 C11 121.2(10) . . ?
C3 O1 Rh1 128.7(3) . . ?
C5 O2 Rh1 127.8(3) . . ?
C8 O3 Rh1 129.7(4) . . ?
O5 O4 S1 119(3) 7_567 . ?
O5 O4 S1 45.2(18) 7_567 7_567 ?
S1 O4 S1 80.9(12) . 7_567 ?
O4 O5 S1 107(3) 7_567 . ?
O4 O5 S1 37.6(17) 7_567 7_567 ?
S1 O5 S1 76.3(13) . 7_567 ?
O5 S1 O4 122.1(15) . . ?
O5 S1 O6 107.7(14) . . ?
O4 S1 O6 109.8(14) . . ?
O5 S1 C28 105.4(16) . . ?
O4 S1 C28 113.6(16) . . ?
O6 S1 C28 94.6(13) . . ?
O5 S1 O4 28.1(12) . 7_567 ?
O4 S1 O4 99.1(12) . 7_567 ?
O6 S1 O4 105.4(15) . 7_567 ?
C28 S1 O4 133.0(12) . 7_567 ?
O5 S1 O5 103.7(13) . 7_567 ?
O4 S1 O5 23.7(12) . 7_567 ?
O6 S1 O5 105.8(15) . 7_567 ?
C28 S1 O5 137.0(12) . 7_567 ?
O4 S1 O5 77.7(8) 7_567 7_567 ?
O5 S1 S1 65.0(13) . 7_567 ?
O4 S1 S1 59.2(12) . 7_567 ?
O6 S1 S1 116.8(17) . 7_567 ?
C28 S1 S1 148.6(13) . 7_567 ?
O4 S1 S1 39.8(5) 7_567 7_567 ?
O5 S1 S1 38.8(5) 7_567 7_567 ?
C2 C1 C5 121.7(5) . 5_666 ?
C2 C1 H1 119.2 . . ?
C5 C1 H1 119.2 5_666 . ?
C1 C2 C3 122.1(4) . . ?
C1 C2 H2 118.9 . . ?
C3 C2 H2 118.9 . . ?
O1 C3 C4 126.8(4) . . ?
O1 C3 C2 114.8(4) . . ?
C4 C3 C2 118.4(4) . . ?
C5 C4 C3 120.8(4) . . ?
C5 C4 C4 120.0(5) . 5_666 ?
C3 C4 C4 119.2(5) . 5_666 ?
O2 C5 C4 127.9(4) . . ?
O2 C5 C1 113.6(4) . 5_666 ?
C4 C5 C1 118.5(4) . 5_666 ?
N1 C6 C7 122.3(10) . . ?
N1 C6 H6 118.8 . . ?
C7 C6 H6 118.8 . . ?
C6 C7 C8 119.2(8) . . ?
C6 C7 H7 120.4 . . ?
C8 C7 H7 120.4 . . ?
O3 C8 C9 120.8(7) . . ?
O3 C8 C7 123.6(6) . . ?
C9 C8 C7 115.5(7) . . ?
C10 C9 C8 120.4(10) . . ?
C10 C9 H9 119.8 . . ?
C8 C9 H9 119.8 . . ?
C9 C10 N1 122.7(9) . . ?
C9 C10 H10 118.7 . . ?
N1 C10 H10 118.7 . . ?
N1 C11 C12 113.3(9) . . ?
N1 C11 H11A 108.9 . . ?
C12 C11 H11A 108.9 . . ?
N1 C11 H11B 108.9 . . ?
C12 C11 H11B 108.9 . . ?
H11A C11 H11B 107.7 . . ?
C17 C12 C13 117.2(13) . . ?
C17 C12 C11 123.9(16) . . ?
C13 C12 C11 118.9(12) . . ?
C12 C13 C14 122.5(11) . . ?
C12 C13 H13 118.8 . . ?
C14 C13 H13 118.8 . . ?
C15 C14 C13 121.1(14) . . ?
C15 C14 H14 119.5 . . ?
C13 C14 H14 119.5 . . ?
C16 C15 C14 115.5(11) . . ?
C16 C15 C15 123.0(13) . 7_566 ?
C14 C15 C15 121.6(17) . 7_566 ?
C15 C16 C17 122.0(12) . . ?
C15 C16 H16 119.0 . . ?
C17 C16 H16 119.0 . . ?
C12 C17 C16 121.7(16) . . ?
C12 C17 H17 119.1 . . ?
C16 C17 H17 119.1 . . ?
C19 C18 C22 107.8(7) . . ?
C19 C18 C23 127.9(10) . . ?
C22 C18 C23 124.3(9) . . ?
C19 C18 Rh1 70.9(4) . . ?
C22 C18 Rh1 69.0(4) . . ?
C23 C18 Rh1 123.5(5) . . ?
C18 C19 C20 109.0(8) . . ?
C18 C19 C24 125.9(10) . . ?
C20 C19 C24 125.2(9) . . ?
C18 C19 Rh1 71.3(4) . . ?
C20 C19 Rh1 69.7(4) . . ?
C24 C19 Rh1 126.7(6) . . ?
C21 C20 C19 107.0(6) . . ?
C21 C20 C25 126.6(8) . . ?
C19 C20 C25 126.4(8) . . ?
C21 C20 Rh1 71.0(3) . . ?
C19 C20 Rh1 70.8(3) . . ?
C25 C20 Rh1 123.5(4) . . ?
C20 C21 C22 108.5(7) . . ?
C20 C21 C26 124.6(8) . . ?
C22 C21 C26 126.8(9) . . ?
C20 C21 Rh1 70.6(3) . . ?
C22 C21 Rh1 69.5(4) . . ?
C26 C21 Rh1 121.9(4) . . ?
C21 C22 C18 107.7(7) . . ?
C21 C22 C27 127.0(11) . . ?
C18 C22 C27 125.3(9) . . ?
C21 C22 Rh1 71.2(4) . . ?
C18 C22 Rh1 71.8(4) . . ?
C27 C22 Rh1 123.7(5) . . ?
C18 C23 H23A 109.5 . . ?
C18 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C18 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C19 C24 H24A 109.5 . . ?
C19 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C19 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C20 C25 H25A 109.5 . . ?
C20 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C20 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C21 C26 H26A 109.5 . . ?
C21 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C21 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C22 C27 H27A 109.5 . . ?
C22 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C22 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
F1 C28 F3 115(2) . . ?
F1 C28 F2 118(2) . . ?
F3 C28 F2 104(2) . . ?
F1 C28 S1 106.8(18) . . ?
F3 C28 S1 106.5(17) . . ?
F2 C28 S1 104.9(16) . . ?

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
O4 O5 S1 O4 -39(3) 7_567 . . . ?
S1 O5 S1 O4 -16.5(15) 7_567 . . . ?
O4 O5 S1 O6 90(3) 7_567 . . . ?
S1 O5 S1 O6 111.9(18) 7_567 . . . ?
O4 O5 S1 C28 -170(2) 7_567 . . . ?
S1 O5 S1 C28 -148.0(13) 7_567 . . . ?
S1 O5 S1 O4 22(2) 7_567 . . 7_567 ?
O4 O5 S1 O5 -22(2) 7_567 . . 7_567 ?
S1 O5 S1 O5 -0.002(1) 7_567 . . 7_567 ?
O4 O5 S1 S1 -22(2) 7_567 . . 7_567 ?
O5 O4 S1 O5 43(4) 7_567 . . . ?
S1 O4 S1 O5 17.4(16) 7_567 . . . ?
O5 O4 S1 O6 -84(3) 7_567 . . . ?
S1 O4 S1 O6 -110.0(18) 7_567 . . . ?
O5 O4 S1 C28 171(3) 7_567 . . . ?
S1 O4 S1 C28 145.4(14) 7_567 . . . ?
O5 O4 S1 O4 26(2) 7_567 . . 7_567 ?
S1 O4 S1 O4 0.002(1) 7_567 . . 7_567 ?
S1 O4 S1 O5 -26(2) 7_567 . . 7_567 ?
O5 O4 S1 S1 26(2) 7_567 . . 7_567 ?
C5 C1 C2 C3 4.0(8) 5_666 . . . ?
Rh1 O1 C3 C4 11.0(7) . . . . ?
Rh1 O1 C3 C2 -168.8(3) . . . . ?
C1 C2 C3 O1 179.4(5) . . . . ?
C1 C2 C3 C4 -0.3(7) . . . . ?
O1 C3 C4 C5 -0.2(7) . . . . ?
C2 C3 C4 C5 179.5(4) . . . . ?
O1 C3 C4 C4 177.5(5) . . . 5_666 ?
C2 C3 C4 C4 -2.8(7) . . . 5_666 ?
Rh1 O2 C5 C4 -3.6(7) . . . . ?
Rh1 O2 C5 C1 176.3(3) . . . 5_666 ?
C3 C4 C5 O2 -3.7(7) . . . . ?
C4 C4 C5 O2 178.6(5) 5_666 . . . ?
C3 C4 C5 C1 176.5(4) . . . 5_666 ?
C4 C4 C5 C1 -1.2(7) 5_666 . . 5_666 ?
C10 N1 C6 C7 -1.3(16) . . . . ?
C11 N1 C6 C7 179.3(11) . . . . ?
N1 C6 C7 C8 0.7(14) . . . . ?
Rh1 O3 C8 C9 -177.0(6) . . . . ?
Rh1 O3 C8 C7 1.3(9) . . . . ?
C6 C7 C8 O3 -176.4(8) . . . . ?
C6 C7 C8 C9 2.0(12) . . . . ?
O3 C8 C9 C10 174.3(10) . . . . ?
C7 C8 C9 C10 -4.2(14) . . . . ?
C8 C9 C10 N1 3.8(18) . . . . ?
C6 N1 C10 C9 -0.9(18) . . . . ?
C11 N1 C10 C9 178.5(12) . . . . ?
C6 N1 C11 C12 72.7(18) . . . . ?
C10 N1 C11 C12 -106.7(14) . . . . ?
N1 C11 C12 C17 -114.6(14) . . . . ?
N1 C11 C12 C13 67.5(16) . . . . ?
C17 C12 C13 C14 1.5(15) . . . . ?
C11 C12 C13 C14 179.5(9) . . . . ?
C12 C13 C14 C15 0.0(15) . . . . ?
C13 C14 C15 C16 -2.1(13) . . . . ?
C13 C14 C15 C15 179.2(9) . . . 7_566 ?
C14 C15 C16 C17 2.8(14) . . . . ?
C15 C15 C16 C17 -178.5(9) 7_566 . . . ?
C13 C12 C17 C16 -0.8(15) . . . . ?
C11 C12 C17 C16 -178.7(9) . . . . ?
C15 C16 C17 C12 -1.5(17) . . . . ?
C22 C18 C19 C20 0.3(7) . . . . ?
C23 C18 C19 C20 177.8(7) . . . . ?
Rh1 C18 C19 C20 59.7(4) . . . . ?
C22 C18 C19 C24 178.4(7) . . . . ?
C23 C18 C19 C24 -4.1(12) . . . . ?
Rh1 C18 C19 C24 -122.2(8) . . . . ?
C22 C18 C19 Rh1 -59.4(4) . . . . ?
C23 C18 C19 Rh1 118.1(8) . . . . ?
C18 C19 C20 C21 1.4(6) . . . . ?
C24 C19 C20 C21 -176.6(7) . . . . ?
Rh1 C19 C20 C21 62.1(4) . . . . ?
C18 C19 C20 C25 -178.7(6) . . . . ?
C24 C19 C20 C25 3.2(10) . . . . ?
Rh1 C19 C20 C25 -118.0(6) . . . . ?
C18 C19 C20 Rh1 -60.7(4) . . . . ?
C24 C19 C20 Rh1 121.2(8) . . . . ?
C19 C20 C21 C22 -2.6(6) . . . . ?
C25 C20 C21 C22 177.5(6) . . . . ?
Rh1 C20 C21 C22 59.4(4) . . . . ?
C19 C20 C21 C26 -178.0(5) . . . . ?
C25 C20 C21 C26 2.1(9) . . . . ?
Rh1 C20 C21 C26 -116.0(6) . . . . ?
C19 C20 C21 Rh1 -62.0(4) . . . . ?
C25 C20 C21 Rh1 118.1(6) . . . . ?
C20 C21 C22 C18 2.9(6) . . . . ?
C26 C21 C22 C18 178.1(6) . . . . ?
Rh1 C21 C22 C18 62.9(4) . . . . ?
C20 C21 C22 C27 -178.5(6) . . . . ?
C26 C21 C22 C27 -3.3(10) . . . . ?
Rh1 C21 C22 C27 -118.5(7) . . . . ?
C20 C21 C22 Rh1 -60.1(4) . . . . ?
C26 C21 C22 Rh1 115.2(6) . . . . ?
C19 C18 C22 C21 -1.9(7) . . . . ?
C23 C18 C22 C21 -179.5(7) . . . . ?
Rh1 C18 C22 C21 -62.5(4) . . . . ?
C19 C18 C22 C27 179.4(7) . . . . ?
C23 C18 C22 C27 1.8(11) . . . . ?
Rh1 C18 C22 C27 118.8(7) . . . . ?
C19 C18 C22 Rh1 60.6(4) . . . . ?
C23 C18 C22 Rh1 -117.0(7) . . . . ?
O5 S1 C28 F1 75(2) . . . . ?
O4 S1 C28 F1 -61(2) . . . . ?
O6 S1 C28 F1 -175(2) . . . . ?
O4 S1 C28 F1 69(2) 7_567 . . . ?
O5 S1 C28 F1 -56(3) 7_567 . . . ?
S1 S1 C28 F1 8(3) 7_567 . . . ?
O5 S1 C28 F3 -49(2) . . . . ?
O4 S1 C28 F3 175.1(19) . . . . ?
O6 S1 C28 F3 61(2) . . . . ?
O4 S1 C28 F3 -55(2) 7_567 . . . ?
O5 S1 C28 F3 -179.7(18) 7_567 . . . ?
S1 S1 C28 F3 -116(2) 7_567 . . . ?
O5 S1 C28 F2 -158.9(19) . . . . ?
O4 S1 C28 F2 65(2) . . . . ?
O6 S1 C28 F2 -49(2) . . . . ?
O4 S1 C28 F2 -165.1(18) 7_567 . . . ?
O5 S1 C28 F2 70(2) 7_567 . . . ?
S1 S1 C28 F2 134(2) 7_567 . . . ?

_refine_diff_density_max         2.053
_refine_diff_density_min         -1.308
_refine_diff_density_rms         0.168




####################################################################### 
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# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
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# 
#######################################################################

data_platon_sq_CCDC3
_database_code_depnum_ccdc_archive 'CCDC 2035947'
loop_
_audit_author_name
_audit_author_address
'Xiang Gao'
;FuDan University
China
;
_audit_update_record             
;
2020-10-08 deposited with the CCDC.	2020-11-11 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            'C194 H202 F18 N6 O48 Rh6 S6'
_chemical_formula_weight         4537.42

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0583 0.0400 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -0.0161 2.8414 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.2925 0.4295 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   38.3335(18)
_cell_length_b                   42.1187(18)
_cell_length_c                   14.9706(7)
_cell_angle_alpha                90
_cell_angle_beta                 111.437(2)
_cell_angle_gamma                90
_cell_volume                     22498.7(18)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9832
_cell_measurement_theta_min      3.31
_cell_measurement_theta_max      50.47

_exptl_crystal_description       rod
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.340
_exptl_crystal_F_000             9280
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.530
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.120
_exptl_absorpt_coefficient_mu    3.170
_shelx_estimated_absorpt_T_min   0.284
_shelx_estimated_absorpt_T_max   0.702
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.482
_exptl_absorpt_correction_T_max  0.751
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     1.34138
_diffrn_radiation_type           GaK\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            139566
_diffrn_reflns_av_unetI/netI     0.0852
_diffrn_reflns_av_R_equivalents  0.1052
_diffrn_reflns_limit_h_min       -46
_diffrn_reflns_limit_h_max       46
_diffrn_reflns_limit_k_min       -51
_diffrn_reflns_limit_k_max       51
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         2.943
_diffrn_reflns_theta_max         54.989
_diffrn_reflns_theta_full        53.594
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             21379
_reflns_number_gt                14428
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          
; 
 28 ISOR, 5 SADI, 4 DELU and 25 DFIX instructions were used 
 to restrain anions, ligands and Cp* fragments so that there 
 were 242 restraints in the data. 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1980P)²+74.0000P] 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         21379
_refine_ls_number_parameters     1056
_refine_ls_number_restraints     242
_refine_ls_R_factor_all          0.1513
_refine_ls_R_factor_gt           0.1263
_refine_ls_wR_factor_ref         0.3995
_refine_ls_wR_factor_gt          0.3739
_refine_ls_goodness_of_fit_ref   1.125
_refine_ls_restrained_S_all      1.134
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.59215(3) 0.88149(3) 1.01579(10) 0.1415(4) Uani 1 1 d . . . . .
Rh2 Rh 0.33424(3) 0.65218(3) 1.00756(6) 0.1375(5) Uani 1 1 d . . . . .
Rh3 Rh 0.31104(2) 0.56496(2) 0.48463(5) 0.0937(3) Uani 1 1 d . . . . .
N1 N 0.6542(3) 0.7604(2) 0.9845(9) 0.131(3) Uani 1 1 d D . . . .
N2 N 0.46276(19) 0.57635(19) 0.5166(6) 0.0915(19) Uani 1 1 d . . . . .
N3 N 0.4157(3) 0.7617(2) 0.9846(8) 0.128(3) Uani 1 1 d . . . . .
O1 O 0.5337(3) 0.8773(2) 0.9703(9) 0.145(3) Uani 1 1 d . . . . .
O2 O 0.5843(3) 0.8731(2) 0.8770(8) 0.134(3) Uani 1 1 d . . . . .
O3 O 0.3591(2) 0.61402(19) 0.9642(5) 0.120(2) Uani 1 1 d . . . . .
O4 O 0.3205(2) 0.66583(19) 0.8665(5) 0.115(2) Uani 1 1 d . . . . .
O5 O 0.29708(17) 0.60770(15) 0.5285(4) 0.0945(16) Uani 1 1 d . . . . .
O6 O 0.34709(19) 0.56085(16) 0.6245(5) 0.1048(19) Uani 1 1 d . . . . .
O7 O 0.5901(2) 0.8326(2) 1.0364(7) 0.134(3) Uani 1 1 d . . . . .
O8 O 0.35222(15) 0.59352(16) 0.4610(5) 0.0993(17) Uani 1 1 d . . . . .
O9 O 0.3881(3) 0.6717(2) 1.0364(7) 0.151(4) Uani 1 1 d . . . . .
O10 O 0.7126(4) 0.7698(3) 0.6524(8) 0.187(5) Uani 1 1 d . . . . .
O11 O 0.7533(4) 0.7878(3) 0.8091(8) 0.201(5) Uani 1 1 d . . . . .
O12 O 0.6838(5) 0.7831(4) 0.7695(13) 0.234(7) Uani 1 1 d . . . . .
S1 S 0.71417(17) 0.78672(11) 0.7363(3) 0.1659(16) Uani 1 1 d D . . . .
F1 F 0.7096(4) 0.8449(2) 0.7733(11) 0.225(5) Uani 1 1 d D U . . .
F2 F 0.7345(5) 0.8345(5) 0.6612(15) 0.304(10) Uani 1 1 d D . . . .
F3 F 0.6718(4) 0.8284(3) 0.6238(14) 0.271(7) Uani 1 1 d D U . . .
C1 C 0.5092(4) 0.8781(3) 0.8835(12) 0.121(4) Uani 1 1 d . . . . .
C2 C 0.5154(3) 0.8769(2) 0.7942(9) 0.110(3) Uani 1 1 d . . . . .
C3 C 0.5541(4) 0.8754(3) 0.7970(12) 0.125(4) Uani 1 1 d . . . . .
C4 C 0.5591(4) 0.8758(2) 0.7078(12) 0.122(4) Uani 1 1 d . . . . .
C5 C 0.5966(4) 0.8765(4) 0.7094(14) 0.151(5) Uani 1 1 d . . . . .
H5 H 0.6174 0.8751 0.7683 0.181 Uiso 1 1 calc R U . . .
C6 C 0.6018(4) 0.8791(4) 0.6233(15) 0.150(5) Uani 1 1 d D . . . .
H6 H 0.6267 0.8792 0.6244 0.180 Uiso 1 1 calc R U . . .
C7 C 0.5734(5) 0.8816(4) 0.5378(13) 0.143(5) Uani 1 1 d D . . . .
H7 H 0.5792 0.8846 0.4818 0.172 Uiso 1 1 calc R U . . .
C8 C 0.5338(4) 0.8799(3) 0.5276(11) 0.128(4) Uani 1 1 d . . . . .
H8 H 0.5136 0.8799 0.4674 0.153 Uiso 1 1 calc R U . . .
C9 C 0.5286(4) 0.8780(3) 0.6184(10) 0.112(3) Uani 1 1 d . . . . .
C10 C 0.3550(3) 0.6036(3) 0.8795(8) 0.108(3) Uani 1 1 d . . . . .
C11 C 0.3330(2) 0.6190(2) 0.7929(6) 0.093(2) Uani 1 1 d . . . . .
C12 C 0.3168(3) 0.6492(3) 0.7934(7) 0.099(3) Uani 1 1 d . . . . .
C13 C 0.2920(2) 0.6634(2) 0.7025(7) 0.090(2) Uani 1 1 d . . . . .
C14 C 0.2761(3) 0.6941(3) 0.7011(7) 0.113(3) Uani 1 1 d . . . . .
H14 H 0.2809 0.7054 0.7592 0.136 Uiso 1 1 calc R U . . .
C15 C 0.2536(3) 0.7072(3) 0.6148(9) 0.126(4) Uani 1 1 d . . . . .
H15 H 0.2426 0.7275 0.6140 0.152 Uiso 1 1 calc R U . . .
C16 C 0.2473(3) 0.6920(3) 0.5336(7) 0.101(3) Uani 1 1 d . . . . .
H16 H 0.2317 0.7015 0.4750 0.121 Uiso 1 1 calc R U . . .
C17 C 0.2624(2) 0.6635(2) 0.5315(6) 0.090(2) Uani 1 1 d . . . . .
H17 H 0.2569 0.6531 0.4716 0.108 Uiso 1 1 calc R U . . .
C18 C 0.2858(2) 0.6486(2) 0.6147(6) 0.084(2) Uani 1 1 d . . . . .
C19 C 0.3042(2) 0.6185(2) 0.6123(6) 0.084(2) Uani 1 1 d . . . . .
C20 C 0.3284(2) 0.6041(2) 0.7002(6) 0.084(2) Uani 1 1 d . . . . .
C21 C 0.3480(2) 0.5757(2) 0.6971(8) 0.094(2) Uani 1 1 d . . . . .
C22 C 0.3725(2) 0.5620(3) 0.7896(8) 0.106(3) Uani 1 1 d . . . . .
C23 C 0.3939(3) 0.5351(3) 0.7874(10) 0.119(4) Uani 1 1 d . . . . .
H23 H 0.3935 0.5261 0.7289 0.143 Uiso 1 1 calc R U . . .
C24 C 0.4163(3) 0.5222(3) 0.8788(11) 0.136(5) Uani 1 1 d D . . . .
H24 H 0.4308 0.5038 0.8801 0.163 Uiso 1 1 calc R U . . .
C25 C 0.4178(4) 0.5348(3) 0.9648(10) 0.144(5) Uani 1 1 d D U . . .
H25 H 0.4335 0.5257 1.0239 0.172 Uiso 1 1 calc R U . . .
C26 C 0.3958(4) 0.5614(3) 0.9635(10) 0.143(5) Uani 1 1 d D . . . .
H26 H 0.3958 0.5700 1.0222 0.172 Uiso 1 1 calc R U . . .
C27 C 0.3741(3) 0.5753(3) 0.8773(8) 0.111(3) Uani 1 1 d . . . . .
C28 C 0.6499(3) 0.7892(3) 0.9375(10) 0.122(4) Uani 1 1 d . . . . .
H28 H 0.6612 0.7919 0.8911 0.146 Uiso 1 1 calc R U . . .
C29 C 0.6302(3) 0.8138(4) 0.9550(11) 0.133(4) Uani 1 1 d . . . . .
H29 H 0.6301 0.8339 0.9256 0.160 Uiso 1 1 calc R U . . .
C30 C 0.6096(4) 0.8098(3) 1.0176(9) 0.122(4) Uani 1 1 d D . . . .
C31 C 0.6101(5) 0.7796(4) 1.0543(13) 0.172(6) Uani 1 1 d D U . . .
H31 H 0.5946 0.7751 1.0900 0.207 Uiso 1 1 calc R U . . .
C32 C 0.6327(5) 0.7551(4) 1.0404(14) 0.165(6) Uani 1 1 d D . . . .
H32 H 0.6332 0.7350 1.0694 0.198 Uiso 1 1 calc R U . . .
C33 C 0.6760(3) 0.7343(3) 0.9634(10) 0.125(4) Uani 1 1 d D . . . .
H33A H 0.6923 0.7243 1.0241 0.150 Uiso 1 1 calc R U . . .
H33B H 0.6922 0.7430 0.9307 0.150 Uiso 1 1 calc R U . . .
C34 C 0.6498(3) 0.7101(3) 0.9004(8) 0.108(3) Uani 1 1 d . . . . .
C35 C 0.6444(3) 0.6808(3) 0.9359(8) 0.102(3) Uani 1 1 d . . . . .
H35 H 0.6574 0.6760 1.0018 0.123 Uiso 1 1 calc R U . . .
C36 C 0.6210(3) 0.6588(2) 0.8778(7) 0.097(2) Uani 1 1 d . . . . .
H36 H 0.6182 0.6388 0.9040 0.116 Uiso 1 1 calc R U . . .
C37 C 0.6011(2) 0.6648(2) 0.7817(7) 0.093(2) Uani 1 1 d . . . . .
C38 C 0.6067(3) 0.6932(3) 0.7445(9) 0.116(3) Uani 1 1 d . . . . .
H38 H 0.5931 0.6979 0.6788 0.139 Uiso 1 1 calc R U . . .
C39 C 0.6328(4) 0.7161(3) 0.8042(11) 0.128(4) Uani 1 1 d . . . . .
H39 H 0.6382 0.7350 0.7773 0.154 Uiso 1 1 calc R U . . .
C40 C 0.5754(2) 0.6406(2) 0.7172(8) 0.094(2) Uani 1 1 d . . . . .
C41 C 0.5593(3) 0.6181(3) 0.7527(8) 0.102(3) Uani 1 1 d . . . . .
H41 H 0.5644 0.6174 0.8197 0.122 Uiso 1 1 calc R U . . .
C42 C 0.5348(3) 0.5956(2) 0.6914(8) 0.101(3) Uani 1 1 d . . . . .
H42 H 0.5228 0.5803 0.7173 0.122 Uiso 1 1 calc R U . . .
C43 C 0.5283(2) 0.5955(3) 0.5978(8) 0.099(3) Uani 1 1 d . . . . .
C44 C 0.5450(3) 0.6178(2) 0.5580(8) 0.102(3) Uani 1 1 d . . . . .
H44 H 0.5405 0.6176 0.4912 0.122 Uiso 1 1 calc R U . . .
C45 C 0.5689(2) 0.6407(2) 0.6189(8) 0.101(3) Uani 1 1 d . . . . .
H45 H 0.5805 0.6562 0.5931 0.121 Uiso 1 1 calc R U . . .
C46 C 0.5027(3) 0.5696(3) 0.5315(9) 0.112(3) Uani 1 1 d . . . . .
H46A H 0.5060 0.5696 0.4689 0.134 Uiso 1 1 calc R U . . .
H46B H 0.5099 0.5484 0.5612 0.134 Uiso 1 1 calc R U . . .
C47 C 0.4420(3) 0.5549(2) 0.5414(8) 0.104(3) Uani 1 1 d . . . . .
H47 H 0.4535 0.5358 0.5723 0.125 Uiso 1 1 calc R U . . .
C48 C 0.4060(3) 0.5596(2) 0.5241(8) 0.100(3) Uani 1 1 d . . . . .
H48 H 0.3923 0.5437 0.5423 0.119 Uiso 1 1 calc R U . . .
C49 C 0.3870(2) 0.5878(2) 0.4788(7) 0.094(2) Uani 1 1 d . . . . .
C50 C 0.4096(2) 0.6104(2) 0.4582(7) 0.092(2) Uani 1 1 d . . . . .
H50 H 0.3996 0.6305 0.4332 0.110 Uiso 1 1 calc R U . . .
C51 C 0.4473(3) 0.6033(3) 0.4747(7) 0.105(3) Uani 1 1 d . . . . .
H51 H 0.4620 0.6180 0.4554 0.126 Uiso 1 1 calc R U . . .
C52 C 0.3793(3) 0.7526(3) 0.9519(9) 0.115(3) Uani 1 1 d . . . . .
H52 H 0.3604 0.7672 0.9168 0.138 Uiso 1 1 calc R U . . .
C53 C 0.3696(3) 0.7228(3) 0.9684(8) 0.115(3) Uani 1 1 d . . . . .
H53 H 0.3438 0.7171 0.9429 0.138 Uiso 1 1 calc R U . . .
C54 C 0.3959(3) 0.6998(3) 1.0219(9) 0.138(5) Uani 1 1 d D . . . .
C55 C 0.4341(4) 0.7093(3) 1.0454(12) 0.152(5) Uani 1 1 d D . . . .
H55 H 0.4540 0.6945 1.0708 0.182 Uiso 1 1 calc R U . . .
C56 C 0.4413(4) 0.7405(4) 1.0300(12) 0.164(6) Uani 1 1 d . . . . .
H56 H 0.4667 0.7473 1.0542 0.197 Uiso 1 1 calc R U . . .
C57 C 0.4284(4) 0.7934(3) 0.9710(12) 0.142(5) Uani 1 1 d . . . . .
H57A H 0.4458 0.8015 1.0334 0.171 Uiso 1 1 calc R U . . .
H57B H 0.4065 0.8079 0.9482 0.171 Uiso 1 1 calc R U . . .
C58 C 0.4474(4) 0.7935(3) 0.9014(12) 0.127(4) Uani 1 1 d . . . . .
C59 C 0.4300(4) 0.7862(3) 0.8057(11) 0.134(4) Uani 1 1 d . . . . .
H59 H 0.4040 0.7813 0.7805 0.160 Uiso 1 1 calc R U . . .
C60 C 0.4506(3) 0.7859(3) 0.7462(11) 0.127(4) Uani 1 1 d . . . . .
H60 H 0.4383 0.7812 0.6800 0.152 Uiso 1 1 calc R U . . .
C61 C 0.4894(3) 0.7925(2) 0.7820(9) 0.109(3) Uani 1 1 d . . . . .
C62 C 0.5056(3) 0.7997(2) 0.8756(10) 0.113(3) Uani 1 1 d D . . . .
H62 H 0.5314 0.8053 0.8994 0.135 Uiso 1 1 calc R U . . .
C63 C 0.4875(3) 0.7996(2) 0.9382(10) 0.123(4) Uani 1 1 d D . . . .
H63 H 0.5008 0.8033 1.0047 0.148 Uiso 1 1 calc R U . . .
C64 C 0.6497(6) 0.8982(5) 1.0800(19) 0.186(6) Uani 1 1 d . U . . .
C65 C 0.6246(6) 0.9234(4) 1.0249(16) 0.173(5) Uani 1 1 d D U . . .
C66 C 0.5988(5) 0.9284(5) 1.0691(17) 0.193(6) Uani 1 1 d D U . . .
C67 C 0.6037(6) 0.9069(5) 1.1460(14) 0.188(6) Uani 1 1 d D U . . .
C68 C 0.6344(7) 0.8889(6) 1.1461(17) 0.205(7) Uani 1 1 d D U . . .
C69 C 0.6839(5) 0.8813(6) 1.065(2) 0.227(9) Uani 1 1 d . U . . .
H69A H 0.6864 0.8894 1.0062 0.341 Uiso 1 1 calc R U . . .
H69B H 0.6795 0.8584 1.0594 0.341 Uiso 1 1 calc R U . . .
H69C H 0.7069 0.8858 1.1199 0.341 Uiso 1 1 calc R U . . .
C70 C 0.6294(8) 0.9404(7) 0.935(2) 0.237(10) Uani 1 1 d . U . . .
H70A H 0.6506 0.9310 0.9230 0.355 Uiso 1 1 calc R U . . .
H70B H 0.6065 0.9377 0.8786 0.355 Uiso 1 1 calc R U . . .
H70C H 0.6341 0.9631 0.9490 0.355 Uiso 1 1 calc R U . . .
C71 C 0.5681(8) 0.9514(7) 1.042(2) 0.285(13) Uani 1 1 d D U . . .
H71A H 0.5783 0.9729 1.0486 0.428 Uiso 1 1 calc R U . . .
H71B H 0.5537 0.9488 1.0839 0.428 Uiso 1 1 calc R U . . .
H71C H 0.5516 0.9477 0.9751 0.428 Uiso 1 1 calc R U . . .
C72 C 0.5821(8) 0.9032(8) 1.2115(18) 0.294(14) Uani 1 1 d D U . . .
H72A H 0.5620 0.9190 1.1949 0.441 Uiso 1 1 calc R U . . .
H72B H 0.5712 0.8818 1.2041 0.441 Uiso 1 1 calc R U . . .
H72C H 0.5990 0.9063 1.2782 0.441 Uiso 1 1 calc R U . . .
C73 C 0.6528(8) 0.8653(7) 1.2224(19) 0.271(12) Uani 1 1 d D U . . .
H73A H 0.6639 0.8762 1.2842 0.406 Uiso 1 1 calc R U . . .
H73B H 0.6724 0.8541 1.2075 0.406 Uiso 1 1 calc R U . . .
H73C H 0.6341 0.8500 1.2259 0.406 Uiso 1 1 calc R U . . .
C74 C 0.2988(4) 0.6245(4) 1.0596(9) 0.136(4) Uani 1 1 d D U . . .
C75 C 0.3326(5) 0.6326(6) 1.1331(12) 0.186(7) Uani 1 1 d D U . . .
C76 C 0.3300(7) 0.6666(6) 1.1370(14) 0.198(7) Uani 1 1 d D U . . .
C77 C 0.2993(6) 0.6775(4) 1.0620(14) 0.180(6) Uani 1 1 d D U . . .
C78 C 0.2792(5) 0.6502(4) 1.0053(14) 0.160(5) Uani 1 1 d D U . . .
C79 C 0.2915(6) 0.5900(4) 1.0371(16) 0.196(8) Uani 1 1 d . . . . .
H79A H 0.3096 0.5774 1.0880 0.293 Uiso 1 1 calc R U . . .
H79B H 0.2661 0.5848 1.0329 0.293 Uiso 1 1 calc R U . . .
H79C H 0.2941 0.5853 0.9757 0.293 Uiso 1 1 calc R U . . .
C80 C 0.3580(8) 0.6166(8) 1.2140(17) 0.287(15) Uani 1 1 d . U . . .
H80A H 0.3513 0.6206 1.2701 0.430 Uiso 1 1 calc R U . . .
H80B H 0.3835 0.6243 1.2266 0.430 Uiso 1 1 calc R U . . .
H80C H 0.3569 0.5937 1.2012 0.430 Uiso 1 1 calc R U . . .
C81 C 0.3652(9) 0.6884(7) 1.2060(19) 0.276(13) Uani 1 1 d . U . . .
H81A H 0.3834 0.6749 1.2538 0.414 Uiso 1 1 calc R U . . .
H81B H 0.3774 0.6989 1.1666 0.414 Uiso 1 1 calc R U . . .
H81C H 0.3558 0.7045 1.2387 0.414 Uiso 1 1 calc R U . . .
C82 C 0.2867(8) 0.7108(5) 1.032(2) 0.244(10) Uani 1 1 d D U . . .
H82A H 0.3086 0.7245 1.0453 0.366 Uiso 1 1 calc R U . . .
H82B H 0.2714 0.7184 1.0672 0.366 Uiso 1 1 calc R U . . .
H82C H 0.2718 0.7112 0.9628 0.366 Uiso 1 1 calc R U . . .
C83 C 0.2458(6) 0.6464(5) 0.9166(16) 0.187(7) Uani 1 1 d D . . . .
H83A H 0.2440 0.6243 0.8951 0.281 Uiso 1 1 calc R U . . .
H83B H 0.2480 0.6603 0.8665 0.281 Uiso 1 1 calc R U . . .
H83C H 0.2233 0.6521 0.9294 0.281 Uiso 1 1 calc R U . . .
C84 C 0.2546(3) 0.5539(3) 0.4012(9) 0.119(3) Uani 1 1 d D U . . .
C85 C 0.2751(3) 0.5531(3) 0.3431(8) 0.117(3) Uani 1 1 d D U . . .
C86 C 0.3031(3) 0.5302(3) 0.3754(10) 0.129(4) Uani 1 1 d D U . . .
C87 C 0.3002(5) 0.5170(3) 0.4569(11) 0.155(5) Uani 1 1 d D U . . .
C88 C 0.2697(4) 0.5315(4) 0.4701(11) 0.151(5) Uani 1 1 d D U . . .
C89 C 0.2219(4) 0.5747(4) 0.3924(14) 0.175(6) Uani 1 1 d . U . . .
H89A H 0.2002 0.5615 0.3876 0.263 Uiso 1 1 calc R U . . .
H89B H 0.2157 0.5879 0.3347 0.263 Uiso 1 1 calc R U . . .
H89C H 0.2282 0.5884 0.4490 0.263 Uiso 1 1 calc R U . . .
C90 C 0.2677(6) 0.5760(6) 0.2587(11) 0.200(8) Uani 1 1 d . U . . .
H90A H 0.2452 0.5886 0.2503 0.300 Uiso 1 1 calc R U . . .
H90B H 0.2640 0.5639 0.2000 0.300 Uiso 1 1 calc R U . . .
H90C H 0.2892 0.5903 0.2716 0.300 Uiso 1 1 calc R U . . .
C91 C 0.3290(7) 0.5241(8) 0.3282(19) 0.256(12) Uani 1 1 d . U . . .
H91A H 0.3537 0.5190 0.3762 0.385 Uiso 1 1 calc R U . . .
H91B H 0.3311 0.5430 0.2923 0.385 Uiso 1 1 calc R U . . .
H91C H 0.3200 0.5062 0.2839 0.385 Uiso 1 1 calc R U . . .
C92 C 0.3216(7) 0.4911(4) 0.5201(18) 0.253(13) Uani 1 1 d . U . . .
H92A H 0.3063 0.4719 0.5075 0.380 Uiso 1 1 calc R U . . .
H92B H 0.3283 0.4974 0.5873 0.380 Uiso 1 1 calc R U . . .
H92C H 0.3445 0.4870 0.5073 0.380 Uiso 1 1 calc R U . . .
C93 C 0.2554(7) 0.5240(7) 0.5538(17) 0.246(11) Uani 1 1 d . U . . .
H93A H 0.2287 0.5187 0.5269 0.368 Uiso 1 1 calc R U . . .
H93B H 0.2592 0.5426 0.5955 0.368 Uiso 1 1 calc R U . . .
H93C H 0.2695 0.5060 0.5913 0.368 Uiso 1 1 calc R U . . .
C94 C 0.7066(5) 0.8271(4) 0.6960(13) 0.243(11) 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 O2 2.018(11) . ?
Rh1 C68 2.05(2) . ?
Rh1 O7 2.089(10) . ?
Rh1 O1 2.098(10) . ?
Rh1 C66 2.11(2) . ?
Rh1 C67 2.123(16) . ?
Rh1 C65 2.134(16) . ?
Rh1 C64 2.177(18) . ?
Rh2 O4 2.063(7) . ?
Rh2 C75 2.075(18) . ?
Rh2 O3 2.089(9) . ?
Rh2 C76 2.093(18) . ?
Rh2 C77 2.10(2) . ?
Rh2 C78 2.098(17) . ?
Rh2 O9 2.115(9) . ?
Rh2 C74 2.143(13) . ?
Rh3 O6 2.052(7) . ?
Rh3 O5 2.053(7) . ?
Rh3 C87 2.072(13) . ?
Rh3 C88 2.072(13) . ?
Rh3 O8 2.115(6) . ?
Rh3 C84 2.118(10) . ?
Rh3 C85 2.122(10) . ?
Rh3 C86 2.133(12) . ?
N1 C28 1.382(17) . ?
N1 C32 1.391(18) . ?
N1 C33 1.481(13) . ?
N2 C51 1.327(13) . ?
N2 C47 1.343(13) . ?
N2 C46 1.493(12) . ?
N3 C56 1.316(18) . ?
N3 C52 1.354(15) . ?
N3 C57 1.458(16) . ?
O1 C1 1.297(16) . ?
O2 C3 1.329(17) . ?
O3 C10 1.295(13) . ?
O4 C12 1.263(12) . ?
O5 C19 1.268(10) . ?
O6 C21 1.242(12) . ?
O7 C30 1.310(15) . ?
O8 C49 1.282(10) . ?
O9 C54 1.260(13) . ?
O10 S1 1.426(11) . ?
O11 S1 1.498(13) . ?
O12 S1 1.430(14) . ?
S1 C94 1.794(16) . ?
F1 C94 1.347(15) . ?
F2 C94 1.385(17) . ?
F3 C94 1.376(16) . ?
C1 C9 1.439(17) 2_656 ?
C1 C2 1.443(19) . ?
C2 C2 1.42(2) 2_656 ?
C2 C3 1.469(16) . ?
C3 C4 1.416(19) . ?
C4 C9 1.421(19) . ?
C4 C5 1.429(17) . ?
C5 C6 1.38(2) . ?
C5 H5 0.9500 . ?
C6 C7 1.348(15) . ?
C6 H6 0.9500 . ?
C7 C8 1.469(19) . ?
C7 H7 0.9500 . ?
C8 C9 1.446(18) . ?
C8 H8 0.9500 . ?
C9 C1 1.439(17) 2_656 ?
C10 C27 1.407(17) . ?
C10 C11 1.417(14) . ?
C11 C12 1.418(14) . ?
C11 C20 1.473(13) . ?
C12 C13 1.472(13) . ?
C13 C18 1.394(13) . ?
C13 C14 1.428(15) . ?
C14 C15 1.379(15) . ?
C14 H14 0.9500 . ?
C15 C16 1.318(16) . ?
C15 H15 0.9500 . ?
C16 C17 1.337(13) . ?
C16 H16 0.9500 . ?
C17 C18 1.390(12) . ?
C17 H17 0.9500 . ?
C18 C19 1.457(12) . ?
C19 C20 1.439(12) . ?
C20 C21 1.423(14) . ?
C21 C22 1.477(13) . ?
C22 C23 1.404(17) . ?
C22 C27 1.409(17) . ?
C23 C24 1.431(16) . ?
C23 H23 0.9500 . ?
C24 C25 1.375(15) . ?
C24 H24 0.9500 . ?
C25 C26 1.396(15) . ?
C25 H25 0.9500 . ?
C26 C27 1.385(15) . ?
C26 H26 0.9500 . ?
C28 C29 1.366(18) . ?
C28 H28 0.9500 . ?
C29 C30 1.439(18) . ?
C29 H29 0.9500 . ?
C30 C31 1.384(15) . ?
C31 C32 1.409(15) . ?
C31 H31 0.9500 . ?
C32 H32 0.9500 . ?
C33 C34 1.501(15) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 C39 1.369(17) . ?
C34 C35 1.387(16) . ?
C35 C36 1.360(13) . ?
C35 H35 0.9500 . ?
C36 C37 1.384(14) . ?
C36 H36 0.9500 . ?
C37 C38 1.371(15) . ?
C37 C40 1.495(12) . ?
C38 C39 1.440(15) . ?
C38 H38 0.9500 . ?
C39 H39 0.9500 . ?
C40 C41 1.343(14) . ?
C40 C45 1.399(15) . ?
C41 C42 1.413(13) . ?
C41 H41 0.9500 . ?
C42 C43 1.331(15) . ?
C42 H42 0.9500 . ?
C43 C44 1.387(15) . ?
C43 C46 1.554(13) . ?
C44 C45 1.411(13) . ?
C44 H44 0.9500 . ?
C45 H45 0.9500 . ?
C46 H46A 0.9900 . ?
C46 H46B 0.9900 . ?
C47 C48 1.324(13) . ?
C47 H47 0.9500 . ?
C48 C49 1.429(13) . ?
C48 H48 0.9500 . ?
C49 C50 1.395(13) . ?
C50 C51 1.408(13) . ?
C50 H50 0.9500 . ?
C51 H51 0.9500 . ?
C52 C53 1.357(16) . ?
C52 H52 0.9500 . ?
C53 C54 1.417(16) . ?
C53 H53 0.9500 . ?
C54 C55 1.434(14) . ?
C55 C56 1.379(19) . ?
C55 H55 0.9500 . ?
C56 H56 0.9500 . ?
C57 C58 1.47(2) . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?
C58 C59 1.376(19) . ?
C58 C63 1.455(17) . ?
C59 C60 1.390(19) . ?
C59 H59 0.9500 . ?
C60 C61 1.410(15) . ?
C60 H60 0.9500 . ?
C61 C62 1.344(16) . ?
C61 C61 1.47(2) 2_656 ?
C62 C63 1.353(14) . ?
C62 H62 0.9500 . ?
C63 H63 0.9500 . ?
C64 C68 1.38(3) . ?
C64 C65 1.46(3) . ?
C64 C69 1.58(3) . ?
C65 C66 1.393(17) . ?
C65 C70 1.59(3) . ?
C66 C67 1.424(17) . ?
C66 C71 1.463(17) . ?
C67 C68 1.400(17) . ?
C67 C72 1.506(17) . ?
C68 C73 1.484(18) . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
C70 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
C73 H73A 0.9800 . ?
C73 H73B 0.9800 . ?
C73 H73C 0.9800 . ?
C74 C78 1.40(2) . ?
C74 C75 1.401(15) . ?
C74 C79 1.49(2) . ?
C75 C80 1.42(3) . ?
C75 C76 1.44(3) . ?
C76 C77 1.376(17) . ?
C76 C81 1.65(3) . ?
C77 C78 1.467(16) . ?
C77 C82 1.498(17) . ?
C78 C83 1.479(16) . ?
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 . ?
C82 H82A 0.9800 . ?
C82 H82B 0.9800 . ?
C82 H82C 0.9800 . ?
C83 H83A 0.9800 . ?
C83 H83B 0.9800 . ?
C83 H83C 0.9800 . ?
C84 C88 1.360(13) . ?
C84 C85 1.371(12) . ?
C84 C89 1.498(19) . ?
C85 C86 1.393(12) . ?
C85 C90 1.53(2) . ?
C86 C87 1.380(11) . ?
C86 C91 1.44(2) . ?
C87 C88 1.396(13) . ?
C87 C92 1.48(2) . ?
C88 C93 1.57(2) . ?
C89 H89A 0.9800 . ?
C89 H89B 0.9800 . ?
C89 H89C 0.9800 . ?
C90 H90A 0.9800 . ?
C90 H90B 0.9800 . ?
C90 H90C 0.9800 . ?
C91 H91A 0.9800 . ?
C91 H91B 0.9800 . ?
C91 H91C 0.9800 . ?
C92 H92A 0.9800 . ?
C92 H92B 0.9800 . ?
C92 H92C 0.9800 . ?
C93 H93A 0.9800 . ?
C93 H93B 0.9800 . ?
C93 H93C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 Rh1 C68 140.7(8) . . ?
O2 Rh1 O7 88.8(4) . . ?
C68 Rh1 O7 94.0(7) . . ?
O2 Rh1 O1 84.9(4) . . ?
C68 Rh1 O1 134.4(8) . . ?
O7 Rh1 O1 82.6(4) . . ?
O2 Rh1 C66 120.3(7) . . ?
C68 Rh1 C66 63.5(9) . . ?
O7 Rh1 C66 150.8(7) . . ?
O1 Rh1 C66 99.7(6) . . ?
O2 Rh1 C67 159.4(7) . . ?
C68 Rh1 C67 39.1(5) . . ?
O7 Rh1 C67 111.6(7) . . ?
O1 Rh1 C67 100.3(6) . . ?
C66 Rh1 C67 39.3(5) . . ?
O2 Rh1 C65 94.3(6) . . ?
C68 Rh1 C65 64.8(10) . . ?
O7 Rh1 C65 149.1(7) . . ?
O1 Rh1 C65 128.3(7) . . ?
C66 Rh1 C65 38.3(5) . . ?
C67 Rh1 C65 66.7(7) . . ?
O2 Rh1 C64 104.9(7) . . ?
C68 Rh1 C64 37.9(8) . . ?
O7 Rh1 C64 109.9(7) . . ?
O1 Rh1 C64 163.9(7) . . ?
C66 Rh1 C64 64.3(8) . . ?
C67 Rh1 C64 66.1(8) . . ?
C65 Rh1 C64 39.7(8) . . ?
O4 Rh2 C75 163.2(5) . . ?
O4 Rh2 O3 82.6(3) . . ?
C75 Rh2 O3 98.3(8) . . ?
O4 Rh2 C76 142.2(8) . . ?
C75 Rh2 C76 40.4(9) . . ?
O3 Rh2 C76 135.2(7) . . ?
O4 Rh2 C77 107.3(6) . . ?
C75 Rh2 C77 67.3(9) . . ?
O3 Rh2 C77 160.2(5) . . ?
C76 Rh2 C77 38.4(5) . . ?
O4 Rh2 C78 96.7(6) . . ?
C75 Rh2 C78 68.6(8) . . ?
O3 Rh2 C78 122.3(5) . . ?
C76 Rh2 C78 67.0(8) . . ?
C77 Rh2 C78 40.9(5) . . ?
O4 Rh2 O9 88.0(3) . . ?
C75 Rh2 O9 108.7(5) . . ?
O3 Rh2 O9 80.8(4) . . ?
C76 Rh2 O9 95.6(8) . . ?
C77 Rh2 O9 116.0(6) . . ?
C78 Rh2 O9 156.8(6) . . ?
O4 Rh2 C74 124.5(4) . . ?
C75 Rh2 C74 38.8(4) . . ?
O3 Rh2 C74 96.6(5) . . ?
C76 Rh2 C74 63.1(8) . . ?
C77 Rh2 C74 63.6(7) . . ?
C78 Rh2 C74 38.5(6) . . ?
O9 Rh2 C74 147.0(4) . . ?
O6 Rh3 O5 84.5(3) . . ?
O6 Rh3 C87 97.7(5) . . ?
O5 Rh3 C87 149.5(6) . . ?
O6 Rh3 C88 104.7(5) . . ?
O5 Rh3 C88 110.6(6) . . ?
C87 Rh3 C88 39.4(4) . . ?
O6 Rh3 O8 87.3(3) . . ?
O5 Rh3 O8 81.5(3) . . ?
C87 Rh3 O8 128.9(6) . . ?
C88 Rh3 O8 163.4(5) . . ?
O6 Rh3 C84 138.2(4) . . ?
O5 Rh3 C84 93.0(4) . . ?
C87 Rh3 C84 65.2(6) . . ?
C88 Rh3 C84 37.9(4) . . ?
O8 Rh3 C84 133.7(4) . . ?
O6 Rh3 C85 161.5(4) . . ?
O5 Rh3 C85 112.1(4) . . ?
C87 Rh3 C85 64.0(6) . . ?
C88 Rh3 C85 62.8(5) . . ?
O8 Rh3 C85 102.6(4) . . ?
C84 Rh3 C85 37.7(3) . . ?
O6 Rh3 C86 125.3(4) . . ?
O5 Rh3 C86 150.1(4) . . ?
C87 Rh3 C86 38.3(3) . . ?
C88 Rh3 C86 64.1(6) . . ?
O8 Rh3 C86 99.7(4) . . ?
C84 Rh3 C86 64.4(4) . . ?
C85 Rh3 C86 38.2(3) . . ?
C28 N1 C32 117.4(12) . . ?
C28 N1 C33 120.8(12) . . ?
C32 N1 C33 121.0(12) . . ?
C51 N2 C47 120.0(8) . . ?
C51 N2 C46 119.2(8) . . ?
C47 N2 C46 120.7(9) . . ?
C56 N3 C52 117.9(11) . . ?
C56 N3 C57 118.0(12) . . ?
C52 N3 C57 124.1(11) . . ?
C1 O1 Rh1 128.3(9) . . ?
C3 O2 Rh1 131.9(8) . . ?
C10 O3 Rh2 131.1(8) . . ?
C12 O4 Rh2 129.6(7) . . ?
C19 O5 Rh3 130.2(5) . . ?
C21 O6 Rh3 130.0(6) . . ?
C30 O7 Rh1 129.5(8) . . ?
C49 O8 Rh3 129.9(6) . . ?
C54 O9 Rh2 127.2(9) . . ?
O10 S1 O12 118.4(9) . . ?
O10 S1 O11 111.4(9) . . ?
O12 S1 O11 118.4(10) . . ?
O10 S1 C94 103.2(9) . . ?
O12 S1 C94 99.5(10) . . ?
O11 S1 C94 102.3(9) . . ?
O1 C1 C9 112.1(13) . 2_656 ?
O1 C1 C2 128.5(11) . . ?
C9 C1 C2 119.3(13) 2_656 . ?
C2 C2 C1 120.0(13) 2_656 . ?
C2 C2 C3 121.1(15) 2_656 . ?
C1 C2 C3 118.9(12) . . ?
O2 C3 C4 118.6(12) . . ?
O2 C3 C2 124.4(13) . . ?
C4 C3 C2 117.0(14) . . ?
C3 C4 C9 122.9(11) . . ?
C3 C4 C5 117.7(15) . . ?
C9 C4 C5 119.2(14) . . ?
C6 C5 C4 118.3(17) . . ?
C6 C5 H5 120.9 . . ?
C4 C5 H5 120.9 . . ?
C7 C6 C5 123.5(14) . . ?
C7 C6 H6 118.2 . . ?
C5 C6 H6 118.2 . . ?
C6 C7 C8 122.6(14) . . ?
C6 C7 H7 118.7 . . ?
C8 C7 H7 118.7 . . ?
C9 C8 C7 113.4(14) . . ?
C9 C8 H8 123.3 . . ?
C7 C8 H8 123.3 . . ?
C4 C9 C1 119.5(12) . 2_656 ?
C4 C9 C8 122.8(11) . . ?
C1 C9 C8 117.7(13) 2_656 . ?
O3 C10 C27 115.5(10) . . ?
O3 C10 C11 124.1(12) . . ?
C27 C10 C11 120.3(11) . . ?
C10 C11 C12 121.3(10) . . ?
C10 C11 C20 119.7(10) . . ?
C12 C11 C20 119.0(8) . . ?
O4 C12 C11 126.3(9) . . ?
O4 C12 C13 113.9(9) . . ?
C11 C12 C13 119.7(9) . . ?
C18 C13 C14 117.7(8) . . ?
C18 C13 C12 121.4(9) . . ?
C14 C13 C12 120.7(9) . . ?
C15 C14 C13 119.6(11) . . ?
C15 C14 H14 120.2 . . ?
C13 C14 H14 120.2 . . ?
C16 C15 C14 120.7(11) . . ?
C16 C15 H15 119.7 . . ?
C14 C15 H15 119.7 . . ?
C15 C16 C17 121.6(9) . . ?
C15 C16 H16 119.2 . . ?
C17 C16 H16 119.2 . . ?
C16 C17 C18 121.7(9) . . ?
C16 C17 H17 119.1 . . ?
C18 C17 H17 119.1 . . ?
C17 C18 C13 118.5(8) . . ?
C17 C18 C19 122.0(8) . . ?
C13 C18 C19 119.6(8) . . ?
O5 C19 C20 125.9(8) . . ?
O5 C19 C18 114.0(7) . . ?
C20 C19 C18 120.1(8) . . ?
C21 C20 C19 119.8(8) . . ?
C21 C20 C11 120.4(8) . . ?
C19 C20 C11 119.8(8) . . ?
O6 C21 C20 127.2(9) . . ?
O6 C21 C22 115.4(10) . . ?
C20 C21 C22 117.4(10) . . ?
C23 C22 C27 121.0(10) . . ?
C23 C22 C21 118.0(12) . . ?
C27 C22 C21 121.0(11) . . ?
C22 C23 C24 115.9(13) . . ?
C22 C23 H23 122.0 . . ?
C24 C23 H23 122.0 . . ?
C25 C24 C23 123.5(13) . . ?
C25 C24 H24 118.2 . . ?
C23 C24 H24 118.2 . . ?
C24 C25 C26 118.6(12) . . ?
C24 C25 H25 120.7 . . ?
C26 C25 H25 120.7 . . ?
C27 C26 C25 120.4(14) . . ?
C27 C26 H26 119.8 . . ?
C25 C26 H26 119.8 . . ?
C26 C27 C10 118.6(13) . . ?
C26 C27 C22 120.4(13) . . ?
C10 C27 C22 120.9(9) . . ?
C29 C28 N1 122.8(13) . . ?
C29 C28 H28 118.6 . . ?
N1 C28 H28 118.6 . . ?
C28 C29 C30 120.5(14) . . ?
C28 C29 H29 119.7 . . ?
C30 C29 H29 119.7 . . ?
O7 C30 C31 121.0(12) . . ?
O7 C30 C29 123.0(13) . . ?
C31 C30 C29 115.9(13) . . ?
C30 C31 C32 122.2(15) . . ?
C30 C31 H31 118.9 . . ?
C32 C31 H31 118.9 . . ?
N1 C32 C31 120.2(15) . . ?
N1 C32 H32 119.9 . . ?
C31 C32 H32 119.9 . . ?
N1 C33 C34 109.8(9) . . ?
N1 C33 H33A 109.7 . . ?
C34 C33 H33A 109.7 . . ?
N1 C33 H33B 109.7 . . ?
C34 C33 H33B 109.7 . . ?
H33A C33 H33B 108.2 . . ?
C39 C34 C35 119.1(10) . . ?
C39 C34 C33 119.2(12) . . ?
C35 C34 C33 121.6(11) . . ?
C36 C35 C34 121.1(11) . . ?
C36 C35 H35 119.4 . . ?
C34 C35 H35 119.4 . . ?
C35 C36 C37 121.7(10) . . ?
C35 C36 H36 119.2 . . ?
C37 C36 H36 119.2 . . ?
C38 C37 C36 118.2(9) . . ?
C38 C37 C40 119.7(10) . . ?
C36 C37 C40 122.0(9) . . ?
C37 C38 C39 120.6(11) . . ?
C37 C38 H38 119.7 . . ?
C39 C38 H38 119.7 . . ?
C34 C39 C38 119.0(12) . . ?
C34 C39 H39 120.5 . . ?
C38 C39 H39 120.5 . . ?
C41 C40 C45 119.0(9) . . ?
C41 C40 C37 120.9(10) . . ?
C45 C40 C37 120.1(9) . . ?
C40 C41 C42 120.7(10) . . ?
C40 C41 H41 119.7 . . ?
C42 C41 H41 119.7 . . ?
C43 C42 C41 120.7(10) . . ?
C43 C42 H42 119.6 . . ?
C41 C42 H42 119.6 . . ?
C42 C43 C44 120.8(9) . . ?
C42 C43 C46 120.5(10) . . ?
C44 C43 C46 118.8(10) . . ?
C43 C44 C45 118.5(10) . . ?
C43 C44 H44 120.7 . . ?
C45 C44 H44 120.7 . . ?
C40 C45 C44 120.3(10) . . ?
C40 C45 H45 119.9 . . ?
C44 C45 H45 119.9 . . ?
N2 C46 C43 109.6(8) . . ?
N2 C46 H46A 109.7 . . ?
C43 C46 H46A 109.7 . . ?
N2 C46 H46B 109.7 . . ?
C43 C46 H46B 109.7 . . ?
H46A C46 H46B 108.2 . . ?
C48 C47 N2 121.6(10) . . ?
C48 C47 H47 119.2 . . ?
N2 C47 H47 119.2 . . ?
C47 C48 C49 122.3(9) . . ?
C47 C48 H48 118.9 . . ?
C49 C48 H48 118.9 . . ?
O8 C49 C50 120.6(8) . . ?
O8 C49 C48 124.5(9) . . ?
C50 C49 C48 114.9(8) . . ?
C49 C50 C51 119.9(9) . . ?
C49 C50 H50 120.0 . . ?
C51 C50 H50 120.0 . . ?
N2 C51 C50 121.0(9) . . ?
N2 C51 H51 119.5 . . ?
C50 C51 H51 119.5 . . ?
N3 C52 C53 120.9(11) . . ?
N3 C52 H52 119.6 . . ?
C53 C52 H52 119.6 . . ?
C52 C53 C54 123.3(11) . . ?
C52 C53 H53 118.3 . . ?
C54 C53 H53 118.3 . . ?
O9 C54 C53 125.3(10) . . ?
O9 C54 C55 120.4(12) . . ?
C53 C54 C55 113.5(11) . . ?
C56 C55 C54 118.3(13) . . ?
C56 C55 H55 120.9 . . ?
C54 C55 H55 120.9 . . ?
N3 C56 C55 125.3(13) . . ?
N3 C56 H56 117.4 . . ?
C55 C56 H56 117.4 . . ?
N3 C57 C58 112.2(12) . . ?
N3 C57 H57A 109.2 . . ?
C58 C57 H57A 109.2 . . ?
N3 C57 H57B 109.2 . . ?
C58 C57 H57B 109.2 . . ?
H57A C57 H57B 107.9 . . ?
C59 C58 C63 118.5(13) . . ?
C59 C58 C57 123.9(13) . . ?
C63 C58 C57 117.5(14) . . ?
C58 C59 C60 119.8(13) . . ?
C58 C59 H59 120.1 . . ?
C60 C59 H59 120.1 . . ?
C59 C60 C61 121.4(14) . . ?
C59 C60 H60 119.3 . . ?
C61 C60 H60 119.3 . . ?
C62 C61 C60 117.6(12) . . ?
C62 C61 C61 121.6(12) . 2_656 ?
C60 C61 C61 120.8(14) . 2_656 ?
C61 C62 C63 124.2(11) . . ?
C61 C62 H62 117.9 . . ?
C63 C62 H62 117.9 . . ?
C62 C63 C58 118.4(13) . . ?
C62 C63 H63 120.8 . . ?
C58 C63 H63 120.8 . . ?
C68 C64 C65 104.3(19) . . ?
C68 C64 C69 125(2) . . ?
C65 C64 C69 131(2) . . ?
C68 C64 Rh1 66.2(12) . . ?
C65 C64 Rh1 68.6(10) . . ?
C69 C64 Rh1 123.5(14) . . ?
C66 C65 C64 106(2) . . ?
C66 C65 C70 131(2) . . ?
C64 C65 C70 123(2) . . ?
C66 C65 Rh1 70.0(11) . . ?
C64 C65 Rh1 71.7(10) . . ?
C70 C65 Rh1 124.3(15) . . ?
C65 C66 C67 112.4(19) . . ?
C65 C66 C71 128(3) . . ?
C67 C66 C71 120(2) . . ?
C65 C66 Rh1 71.7(11) . . ?
C67 C66 Rh1 70.8(11) . . ?
C71 C66 Rh1 122.6(16) . . ?
C68 C67 C66 101.9(18) . . ?
C68 C67 C72 127(3) . . ?
C66 C67 C72 131(2) . . ?
C68 C67 Rh1 67.8(12) . . ?
C66 C67 Rh1 69.9(11) . . ?
C72 C67 Rh1 124.5(14) . . ?
C64 C68 C67 115(2) . . ?
C64 C68 C73 123(3) . . ?
C67 C68 C73 122(3) . . ?
C64 C68 Rh1 75.9(14) . . ?
C67 C68 Rh1 73.1(12) . . ?
C73 C68 Rh1 128.0(19) . . ?
C64 C69 H69A 109.5 . . ?
C64 C69 H69B 109.5 . . ?
H69A C69 H69B 109.5 . . ?
C64 C69 H69C 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C65 C70 H70A 109.5 . . ?
C65 C70 H70B 109.5 . . ?
H70A C70 H70B 109.5 . . ?
C65 C70 H70C 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
C66 C71 H71A 109.5 . . ?
C66 C71 H71B 109.5 . . ?
H71A C71 H71B 109.5 . . ?
C66 C71 H71C 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C67 C72 H72A 109.5 . . ?
C67 C72 H72B 109.5 . . ?
H72A C72 H72B 109.5 . . ?
C67 C72 H72C 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
C68 C73 H73A 109.5 . . ?
C68 C73 H73B 109.5 . . ?
H73A C73 H73B 109.5 . . ?
C68 C73 H73C 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
C78 C74 C75 114.4(16) . . ?
C78 C74 C79 127.4(13) . . ?
C75 C74 C79 117.2(18) . . ?
C78 C74 Rh2 69.1(8) . . ?
C75 C74 Rh2 68.0(9) . . ?
C79 C74 Rh2 122.6(13) . . ?
C74 C75 C80 135(2) . . ?
C74 C75 C76 102.6(18) . . ?
C80 C75 C76 118(2) . . ?
C74 C75 Rh2 73.2(9) . . ?
C80 C75 Rh2 136.3(19) . . ?
C76 C75 Rh2 70.5(11) . . ?
C77 C76 C75 110.5(18) . . ?
C77 C76 C81 126(2) . . ?
C75 C76 C81 122(2) . . ?
C77 C76 Rh2 71.0(12) . . ?
C75 C76 Rh2 69.2(11) . . ?
C81 C76 Rh2 114.9(16) . . ?
C76 C77 C78 108.8(18) . . ?
C76 C77 C82 130(2) . . ?
C78 C77 C82 121(2) . . ?
C76 C77 Rh2 70.6(12) . . ?
C78 C77 Rh2 69.6(10) . . ?
C82 C77 Rh2 122.6(13) . . ?
C74 C78 C77 102.4(16) . . ?
C74 C78 C83 122.8(15) . . ?
C77 C78 C83 135(2) . . ?
C74 C78 Rh2 72.5(10) . . ?
C77 C78 Rh2 69.5(11) . . ?
C83 C78 Rh2 123.7(12) . . ?
C74 C79 H79A 109.5 . . ?
C74 C79 H79B 109.5 . . ?
H79A C79 H79B 109.5 . . ?
C74 C79 H79C 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 109.5 . . ?
C75 C80 H80A 109.5 . . ?
C75 C80 H80B 109.5 . . ?
H80A C80 H80B 109.5 . . ?
C75 C80 H80C 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
C76 C81 H81A 109.5 . . ?
C76 C81 H81B 109.5 . . ?
H81A C81 H81B 109.5 . . ?
C76 C81 H81C 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?
C77 C82 H82A 109.5 . . ?
C77 C82 H82B 109.5 . . ?
H82A C82 H82B 109.5 . . ?
C77 C82 H82C 109.5 . . ?
H82A C82 H82C 109.5 . . ?
H82B C82 H82C 109.5 . . ?
C78 C83 H83A 109.5 . . ?
C78 C83 H83B 109.5 . . ?
H83A C83 H83B 109.5 . . ?
C78 C83 H83C 109.5 . . ?
H83A C83 H83C 109.5 . . ?
H83B C83 H83C 109.5 . . ?
C88 C84 C85 106.3(11) . . ?
C88 C84 C89 125.8(15) . . ?
C85 C84 C89 127.9(15) . . ?
C88 C84 Rh3 69.2(7) . . ?
C85 C84 Rh3 71.3(6) . . ?
C89 C84 Rh3 124.4(9) . . ?
C84 C85 C86 110.1(11) . . ?
C84 C85 C90 122.2(15) . . ?
C86 C85 C90 127.6(14) . . ?
C84 C85 Rh3 71.0(6) . . ?
C86 C85 Rh3 71.3(6) . . ?
C90 C85 Rh3 122.2(9) . . ?
C87 C86 C85 106.5(12) . . ?
C87 C86 C91 131.1(19) . . ?
C85 C86 C91 122.4(19) . . ?
C87 C86 Rh3 68.5(7) . . ?
C85 C86 Rh3 70.5(6) . . ?
C91 C86 Rh3 124.7(12) . . ?
C86 C87 C88 107.1(13) . . ?
C86 C87 C92 131(2) . . ?
C88 C87 C92 122(2) . . ?
C86 C87 Rh3 73.3(7) . . ?
C88 C87 Rh3 70.3(8) . . ?
C92 C87 Rh3 124.5(12) . . ?
C84 C88 C87 109.9(13) . . ?
C84 C88 C93 124.7(19) . . ?
C87 C88 C93 125.4(19) . . ?
C84 C88 Rh3 72.9(7) . . ?
C87 C88 Rh3 70.3(8) . . ?
C93 C88 Rh3 121.9(12) . . ?
C84 C89 H89A 109.5 . . ?
C84 C89 H89B 109.5 . . ?
H89A C89 H89B 109.5 . . ?
C84 C89 H89C 109.5 . . ?
H89A C89 H89C 109.5 . . ?
H89B C89 H89C 109.5 . . ?
C85 C90 H90A 109.5 . . ?
C85 C90 H90B 109.5 . . ?
H90A C90 H90B 109.5 . . ?
C85 C90 H90C 109.5 . . ?
H90A C90 H90C 109.5 . . ?
H90B C90 H90C 109.5 . . ?
C86 C91 H91A 109.5 . . ?
C86 C91 H91B 109.5 . . ?
H91A C91 H91B 109.5 . . ?
C86 C91 H91C 109.5 . . ?
H91A C91 H91C 109.5 . . ?
H91B C91 H91C 109.5 . . ?
C87 C92 H92A 109.5 . . ?
C87 C92 H92B 109.5 . . ?
H92A C92 H92B 109.5 . . ?
C87 C92 H92C 109.5 . . ?
H92A C92 H92C 109.5 . . ?
H92B C92 H92C 109.5 . . ?
C88 C93 H93A 109.5 . . ?
C88 C93 H93B 109.5 . . ?
H93A C93 H93B 109.5 . . ?
C88 C93 H93C 109.5 . . ?
H93A C93 H93C 109.5 . . ?
H93B C93 H93C 109.5 . . ?
F1 C94 F3 114.2(16) . . ?
F1 C94 F2 111.2(18) . . ?
F3 C94 F2 110.8(18) . . ?
F1 C94 S1 106.7(12) . . ?
F3 C94 S1 106.9(13) . . ?
F2 C94 S1 106.6(12) . . ?

_refine_diff_density_max         2.130
_refine_diff_density_min         -1.479
_refine_diff_density_rms         0.112




