#------------------------------------------------------------------------------
#$Date: 2017-07-20 05:22:17 +0300 (Thu, 20 Jul 2017) $
#$Revision: 198816 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/37/7043710.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7043710
loop_
_publ_author_name
'Jin, Guo-Xin'
'Gao, Wen-Xi'
'Lin, Yue-Jian'
_publ_section_title
;
 Stepwise construction of discrete parallelogram- and prism-shaped
 organometallic architectures based on half-sandwich rhodium fragments
;
_journal_name_full               'Dalton Trans.'
_journal_paper_doi               10.1039/C7DT02186K
_journal_year                    2017
_chemical_formula_sum            'C90 H112 F12 N10 O27 Rh4 S4'
_chemical_formula_weight         2533.77
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-06-14 deposited with the CCDC.
2017-07-19 downloaded from the CCDC.
;
_cell_angle_alpha                109.857(2)
_cell_angle_beta                 91.607(2)
_cell_angle_gamma                96.139(2)
_cell_formula_units_Z            2
_cell_length_a                   15.3538(17)
_cell_length_b                   17.894(2)
_cell_length_c                   20.376(2)
_cell_measurement_reflns_used    3306
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      22.41
_cell_measurement_theta_min      2.30
_cell_volume                     5222.7(10)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1673
_diffrn_reflns_av_unetI/netI     0.2551
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            32624
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.010
_diffrn_reflns_theta_max         25.010
_diffrn_reflns_theta_min         1.219
_exptl_absorpt_coefficient_mu    0.800
_exptl_absorpt_correction_T_max  0.745
_exptl_absorpt_correction_T_min  0.679
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.611
_exptl_crystal_description       block
_exptl_crystal_F_000             2580
_exptl_crystal_size_max          0.110
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.090
_platon_squeeze_details
; 
 In asymmetric unit of this data, there were disordered 
 solvents (four methanol and one water molecules) which 
 could not be restrained properly. Therefore, SQUEEZE 
 algorithm was used to omit them. 
;
_refine_diff_density_max         1.342
_refine_diff_density_min         -1.453
_refine_diff_density_rms         0.158
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.837
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1318
_refine_ls_number_reflns         18395
_refine_ls_number_restraints     167
_refine_ls_restrained_S_all      0.838
_refine_ls_R_factor_all          0.1416
_refine_ls_R_factor_gt           0.0642
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0522P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1405
_refine_ls_wR_factor_ref         0.1714
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8090
_reflns_number_total             18395
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7dt02186k2.cif
_cod_data_source_block           mo_60506c
_cod_original_cell_volume        5222.8(10)
_cod_database_code               7043710
_shelx_shelxl_version_number     2014/7
_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. 
;
_shelx_estimated_absorpt_t_min   0.917
_shelx_estimated_absorpt_t_max   0.932
_platon_squeeze_void_probe_radius 1.20
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.65968(4) 0.44729(4) 0.20760(4) 0.02263(18) Uani 1 1 d . . . . .
Rh2 Rh 0.25445(4) 0.43910(4) 0.21218(4) 0.02422(19) Uani 1 1 d . . . . .
Rh3 Rh 0.82296(5) 0.05293(5) 0.27403(4) 0.0306(2) Uani 1 1 d . . . . .
Rh4 Rh 1.21125(5) -0.01087(4) 0.28910(4) 0.0275(2) Uani 1 1 d . . . . .
N1 N 0.5301(4) 0.3949(4) 0.2159(3) 0.0210(16) Uani 1 1 d . . . . .
N2 N 0.3877(4) 0.4166(4) 0.2186(3) 0.0224(17) Uani 1 1 d . . . . .
N3 N 0.5923(4) 0.5502(4) 0.2508(3) 0.0220(16) Uani 1 1 d . . . . .
N4 N 0.6950(4) 0.4595(4) 0.3145(3) 0.0236(17) Uani 1 1 d D . . . .
N5 N 0.7427(5) 0.5333(4) 0.6770(3) 0.0263(18) Uani 1 1 d D . . . .
N6 N 0.9628(5) 0.0828(4) 0.2726(4) 0.0269(18) Uani 1 1 d . . . . .
N7 N 1.0924(5) 0.0377(5) 0.2761(4) 0.0289(18) Uani 1 1 d . . . . .
N8 N 0.8685(5) -0.0608(4) 0.2276(4) 0.0266(18) Uani 1 1 d . . . . .
N9 N 0.8004(6) 0.0570(5) 0.1714(4) 0.036(2) Uani 1 1 d . . . . .
N10 N 0.7714(5) 0.0271(4) -0.1808(4) 0.0322(19) Uani 1 1 d D . . . .
O1 O 0.4700(5) 0.1808(4) 0.1738(4) 0.058(2) Uani 1 1 d . . . . .
H1 H 0.4180 0.1892 0.1681 0.087 Uiso 1 1 calc R U . . .
O2 O 0.6013(4) 0.2523(4) 0.2067(3) 0.0338(16) Uani 1 1 d . . . . .
O3 O 0.2408(4) 0.3143(4) 0.2001(3) 0.0285(15) Uani 1 1 d . . . . .
O4 O 0.3115(4) 0.2067(4) 0.1736(4) 0.0487(19) Uani 1 1 d . . . . .
O5 O 1.0678(5) 0.2895(4) 0.3397(4) 0.060(2) Uani 1 1 d . . . . .
H5 H 1.1129 0.2704 0.3479 0.090 Uiso 1 1 calc R U . . .
O6 O 0.9339(5) 0.2455(4) 0.2927(4) 0.0466(18) Uani 1 1 d . . . . .
O7 O 1.2549(4) 0.1148(4) 0.3134(3) 0.0329(16) Uani 1 1 d . . . . .
O8 O 1.2113(5) 0.2344(4) 0.3473(4) 0.0468(19) Uani 1 1 d . . . . .
O9 O 0.8443(5) 0.6852(4) 0.3085(4) 0.070(2) Uani 1 1 d . . . . .
O10 O 0.7746(6) 0.7936(6) 0.3822(5) 0.102(3) Uani 1 1 d . . . . .
O11 O 0.9068(5) 0.8215(5) 0.3336(5) 0.077(3) Uani 1 1 d . . . . .
O12 O 0.2529(5) 0.8518(5) 0.4562(4) 0.070(3) Uani 1 1 d D . . . .
O13 O 0.3201(6) 0.7408(5) 0.3819(4) 0.082(3) Uani 1 1 d D . . . .
O14 O 0.3031(7) 0.7566(6) 0.5036(5) 0.098(3) Uani 1 1 d D . . . .
O15 O 0.6652(8) 0.7217(8) 0.1060(8) 0.162(6) Uani 1 1 d . U . . .
O16 O 0.5749(7) 0.7254(8) 0.0029(6) 0.134(5) Uani 1 1 d . U . . .
O17 O 0.5990(10) 0.8433(7) 0.1097(9) 0.179(6) Uani 1 1 d . U . . .
S1 S 0.85372(18) 0.76590(18) 0.35424(15) 0.0485(7) Uani 1 1 d . . . . .
S2 S 0.3110(2) 0.7943(2) 0.45072(16) 0.0587(8) Uani 1 1 d D . . . .
S3 S 0.5985(3) 0.7583(3) 0.0814(3) 0.0980(14) Uani 1 1 d . . . . .
F1 F 0.9340(6) 0.8375(6) 0.4792(4) 0.106(3) Uani 1 1 d D U . . .
F2 F 0.8799(9) 0.7194(7) 0.4606(6) 0.196(6) Uani 1 1 d D U . . .
F3 F 0.9960(6) 0.7427(6) 0.4112(5) 0.124(3) Uani 1 1 d D U . . .
F4 F 0.4811(6) 0.8109(7) 0.4771(5) 0.126(4) Uani 1 1 d . . . . .
F5 F 0.4354(7) 0.8865(7) 0.4272(7) 0.155(5) Uani 1 1 d . . . . .
F6 F 0.4136(7) 0.9097(7) 0.5372(6) 0.176(5) Uani 1 1 d . . . . .
F7 F 0.4366(6) 0.7438(6) 0.1025(5) 0.123(3) Uani 1 1 d . . . . .
F8 F 0.5065(8) 0.6470(6) 0.1123(6) 0.150(4) Uani 1 1 d D . . . .
F9 F 0.5207(8) 0.7679(8) 0.1933(5) 0.181(5) Uani 1 1 d . . . . .
C1 C 0.4717(6) 0.4511(5) 0.2275(4) 0.024(2) Uani 1 1 d . . . . .
C2 C 0.4819(6) 0.3239(5) 0.2028(5) 0.027(2) Uani 1 1 d . . . . .
C3 C 0.3923(6) 0.3356(6) 0.2020(4) 0.030(2) Uani 1 1 d . . . . .
C4 C 0.5060(6) 0.5363(5) 0.2519(5) 0.028(2) Uani 1 1 d . . . . .
C5 C 0.4551(6) 0.5974(6) 0.2783(5) 0.040(3) Uani 1 1 d . . . . .
H5A H 0.3933 0.5851 0.2782 0.049 Uiso 1 1 calc R U . . .
C6 C 0.4930(6) 0.6769(6) 0.3051(5) 0.045(3) Uani 1 1 d . . . . .
H6 H 0.4593 0.7203 0.3223 0.054 Uiso 1 1 calc R U . . .
C7 C 0.5844(6) 0.6880(6) 0.3049(5) 0.044(3) Uani 1 1 d . . . . .
H7 H 0.6152 0.7404 0.3247 0.053 Uiso 1 1 calc R U . . .
C8 C 0.6303(6) 0.6237(6) 0.2762(5) 0.034(2) Uani 1 1 d . . . . .
H8 H 0.6922 0.6335 0.2748 0.040 Uiso 1 1 calc R U . . .
C9 C 0.5226(7) 0.2504(5) 0.1945(5) 0.036(2) Uani 1 1 d . . . . .
C10 C 0.3111(6) 0.2804(6) 0.1896(4) 0.031(2) Uani 1 1 d . . . . .
C11 C 0.7463(6) 0.5237(6) 0.3564(5) 0.039(3) Uani 1 1 d D . . . .
H11 H 0.7714 0.5622 0.3376 0.047 Uiso 1 1 calc R U . . .
C12 C 0.7638(6) 0.5360(6) 0.4257(5) 0.039(3) Uani 1 1 d D . . . .
H12 H 0.8036 0.5808 0.4534 0.047 Uiso 1 1 calc R U . . .
C13 C 0.7243(6) 0.4836(6) 0.4556(5) 0.029(2) Uani 1 1 d D . . . .
C14 C 0.6723(7) 0.4195(6) 0.4129(5) 0.038(3) Uani 1 1 d . . . . .
H14 H 0.6449 0.3814 0.4314 0.046 Uiso 1 1 calc R U . . .
C15 C 0.6575(6) 0.4073(5) 0.3423(5) 0.030(2) Uani 1 1 d D . . . .
H15 H 0.6202 0.3613 0.3134 0.036 Uiso 1 1 calc R U . . .
C16 C 0.7333(6) 0.4552(5) 0.6306(5) 0.035(2) Uani 1 1 d D . . . .
H16 H 0.7304 0.4129 0.6491 0.041 Uiso 1 1 calc R U . . .
C17 C 0.7281(7) 0.4353(6) 0.5574(5) 0.040(3) Uani 1 1 d . . . . .
H17 H 0.7208 0.3811 0.5268 0.047 Uiso 1 1 calc R U . . .
C18 C 0.7340(6) 0.4985(5) 0.5318(5) 0.029(2) Uani 1 1 d . . . . .
C19 C 0.7493(7) 0.5752(7) 0.5777(5) 0.050(3) Uani 1 1 d . . . . .
H19 H 0.7574 0.6186 0.5607 0.060 Uiso 1 1 calc R U . . .
C20 C 0.7530(7) 0.5902(7) 0.6501(5) 0.051(3) Uani 1 1 d D . . . .
H20 H 0.7634 0.6442 0.6809 0.061 Uiso 1 1 calc R U . . .
C21 C 0.6628(6) 0.4306(5) 0.0989(4) 0.024(2) Uani 1 1 d D . . . .
C22 C 0.7328(5) 0.4893(5) 0.1363(4) 0.021(2) Uani 1 1 d . . . . .
C23 C 0.7889(6) 0.4586(7) 0.1710(5) 0.037(3) Uani 1 1 d . . . . .
C24 C 0.7594(6) 0.3756(6) 0.1551(5) 0.030(2) Uani 1 1 d . . . . .
C25 C 0.6816(6) 0.3571(5) 0.1072(4) 0.026(2) Uani 1 1 d D . . . .
C26 C 0.5868(6) 0.4368(7) 0.0532(5) 0.049(3) Uani 1 1 d . . . . .
H26A H 0.5815 0.4934 0.0615 0.073 Uiso 1 1 calc R U . . .
H26B H 0.5325 0.4111 0.0644 0.073 Uiso 1 1 calc R U . . .
H26C H 0.5971 0.4101 0.0039 0.073 Uiso 1 1 calc R U . . .
C27 C 0.7436(7) 0.5743(6) 0.1340(5) 0.041(3) Uani 1 1 d . . . . .
H27A H 0.7773 0.5756 0.0942 0.062 Uiso 1 1 calc R U . . .
H27B H 0.7749 0.6111 0.1775 0.062 Uiso 1 1 calc R U . . .
H27C H 0.6856 0.5907 0.1289 0.062 Uiso 1 1 calc R U . . .
C28 C 0.8714(5) 0.5013(5) 0.2120(5) 0.028(2) Uani 1 1 d . . . . .
H28A H 0.8873 0.4750 0.2449 0.042 Uiso 1 1 calc R U . . .
H28B H 0.8633 0.5569 0.2379 0.042 Uiso 1 1 calc R U . . .
H28C H 0.9184 0.5001 0.1802 0.042 Uiso 1 1 calc R U . . .
C29 C 0.8030(6) 0.3186(6) 0.1784(5) 0.033(2) Uani 1 1 d . . . . .
H29A H 0.8504 0.2998 0.1480 0.049 Uiso 1 1 calc R U . . .
H29B H 0.7601 0.2729 0.1759 0.049 Uiso 1 1 calc R U . . .
H29C H 0.8275 0.3452 0.2267 0.049 Uiso 1 1 calc R U . . .
C30 C 0.6351(6) 0.2740(5) 0.0689(5) 0.039(2) Uani 1 1 d . . . . .
H30A H 0.6577 0.2527 0.0225 0.058 Uiso 1 1 calc R U . . .
H30B H 0.5719 0.2764 0.0639 0.058 Uiso 1 1 calc R U . . .
H30C H 0.6457 0.2390 0.0956 0.058 Uiso 1 1 calc R U . . .
C31 C 0.1940(6) 0.4080(6) 0.1092(4) 0.030(2) Uani 1 1 d . . . . .
C32 C 0.1297(6) 0.4276(6) 0.1587(5) 0.033(2) Uani 1 1 d D . . . .
C33 C 0.1533(6) 0.5083(6) 0.2025(5) 0.032(2) Uani 1 1 d D . . . .
C34 C 0.2330(6) 0.5379(6) 0.1779(5) 0.033(2) Uani 1 1 d . . . . .
C35 C 0.2566(6) 0.4727(6) 0.1204(5) 0.034(2) Uani 1 1 d . . . . .
C36 C 0.1944(7) 0.3281(6) 0.0523(5) 0.049(3) Uani 1 1 d . . . . .
H36A H 0.2517 0.3256 0.0321 0.074 Uiso 1 1 calc R U . . .
H36B H 0.1484 0.3214 0.0157 0.074 Uiso 1 1 calc R U . . .
H36C H 0.1835 0.2853 0.0719 0.074 Uiso 1 1 calc R U . . .
C37 C 0.0538(6) 0.3694(6) 0.1623(5) 0.039(2) Uani 1 1 d . . . . .
H37A H 0.0080 0.3643 0.1260 0.058 Uiso 1 1 calc R U . . .
H37B H 0.0301 0.3888 0.2084 0.058 Uiso 1 1 calc R U . . .
H37C H 0.0737 0.3171 0.1548 0.058 Uiso 1 1 calc R U . . .
C38 C 0.1000(7) 0.5602(6) 0.2592(6) 0.050(3) Uani 1 1 d . . . . .
H38A H 0.1386 0.6067 0.2903 0.075 Uiso 1 1 calc R U . . .
H38B H 0.0740 0.5286 0.2863 0.075 Uiso 1 1 calc R U . . .
H38C H 0.0531 0.5786 0.2371 0.075 Uiso 1 1 calc R U . . .
C39 C 0.2739(7) 0.6270(7) 0.2022(6) 0.057(3) Uani 1 1 d . . . . .
H39A H 0.3369 0.6298 0.1950 0.086 Uiso 1 1 calc R U . . .
H39B H 0.2654 0.6530 0.2519 0.086 Uiso 1 1 calc R U . . .
H39C H 0.2453 0.6544 0.1749 0.086 Uiso 1 1 calc R U . . .
C40 C 0.3335(7) 0.4784(7) 0.0798(6) 0.057(3) Uani 1 1 d . . . . .
H40A H 0.3475 0.4245 0.0539 0.086 Uiso 1 1 calc R U . . .
H40B H 0.3838 0.5091 0.1117 0.086 Uiso 1 1 calc R U . . .
H40C H 0.3202 0.5054 0.0468 0.086 Uiso 1 1 calc R U . . .
C41 C 1.0057(6) 0.0177(5) 0.2589(5) 0.028(2) Uani 1 1 d . . . . .
C42 C 1.0238(6) 0.1467(5) 0.2969(5) 0.030(2) Uani 1 1 d . . . . .
C43 C 1.1030(6) 0.1198(6) 0.2991(5) 0.032(2) Uani 1 1 d . . . . .
C44 C 0.9569(6) -0.0617(6) 0.2282(4) 0.033(2) Uani 1 1 d . . . . .
C45 C 0.9942(7) -0.1302(6) 0.1980(5) 0.037(2) Uani 1 1 d . . . . .
H45 H 1.0563 -0.1280 0.1979 0.045 Uiso 1 1 calc R U . . .
C46 C 0.9429(7) -0.2022(7) 0.1679(6) 0.055(3) Uani 1 1 d D . . . .
H46 H 0.9682 -0.2507 0.1501 0.067 Uiso 1 1 calc R U . . .
C47 C 0.8526(7) -0.2018(6) 0.1643(5) 0.047(3) Uani 1 1 d D . . . .
H47 H 0.8152 -0.2501 0.1408 0.057 Uiso 1 1 calc R U . . .
C48 C 0.8166(6) -0.1314(6) 0.1947(5) 0.038(2) Uani 1 1 d D . . . .
H48 H 0.7546 -0.1322 0.1926 0.045 Uiso 1 1 calc R U . . .
C49 C 1.0037(7) 0.2299(6) 0.3093(6) 0.040(3) Uani 1 1 d . . . . .
C50 C 1.1938(7) 0.1621(8) 0.3222(5) 0.043(3) Uani 1 1 d . . . . .
C51 C 0.7433(7) 0.0009(9) 0.1254(6) 0.063(4) Uani 1 1 d . . . . .
H51 H 0.7123 -0.0392 0.1396 0.076 Uiso 1 1 calc R U . . .
C52 C 0.7279(7) -0.0007(7) 0.0581(6) 0.055(3) Uani 1 1 d D . . . .
H52 H 0.6846 -0.0402 0.0278 0.066 Uiso 1 1 calc R U . . .
C53 C 0.7739(7) 0.0541(6) 0.0337(5) 0.047(3) Uani 1 1 d D . . . .
C54 C 0.8301(8) 0.1116(7) 0.0836(5) 0.060(4) Uani 1 1 d D . . . .
H54 H 0.8615 0.1531 0.0713 0.073 Uiso 1 1 calc R U . . .
C55 C 0.8424(8) 0.1114(6) 0.1501(5) 0.049(3) Uani 1 1 d . . . . .
H55 H 0.8829 0.1522 0.1822 0.059 Uiso 1 1 calc R U . . .
C56 C 0.7909(7) 0.1009(6) -0.1305(5) 0.044(3) Uani 1 1 d D . . . .
H56 H 0.8042 0.1460 -0.1447 0.053 Uiso 1 1 calc R U . . .
C57 C 0.7922(7) 0.1129(6) -0.0599(5) 0.046(3) Uani 1 1 d D . . . .
H57 H 0.8113 0.1640 -0.0260 0.055 Uiso 1 1 calc R U . . .
C58 C 0.7646(7) 0.0476(6) -0.0403(5) 0.046(3) Uani 1 1 d D . . . .
C59 C 0.7410(9) -0.0282(6) -0.0923(5) 0.066(4) Uani 1 1 d . . . . .
H59 H 0.7255 -0.0748 -0.0807 0.080 Uiso 1 1 calc R U . . .
C60 C 0.7417(8) -0.0310(7) -0.1593(5) 0.061(4) Uani 1 1 d D . . . .
H60 H 0.7182 -0.0801 -0.1942 0.073 Uiso 1 1 calc R U . . .
C61 C 0.6904(6) 0.0757(7) 0.3061(5) 0.041(3) Uani 1 1 d . . . . .
C62 C 0.7188(7) 0.0155(7) 0.3317(5) 0.043(3) Uani 1 1 d . . . . .
C63 C 0.7978(7) 0.0522(6) 0.3761(5) 0.038(3) Uani 1 1 d . . . . .
C64 C 0.8133(7) 0.1353(6) 0.3826(5) 0.037(3) Uani 1 1 d . . . . .
C65 C 0.7502(6) 0.1476(6) 0.3365(5) 0.035(2) Uani 1 1 d . . . . .
C66 C 0.6103(7) 0.0681(8) 0.2590(6) 0.063(4) Uani 1 1 d . . . . .
H66A H 0.5975 0.0127 0.2269 0.095 Uiso 1 1 calc R U . . .
H66B H 0.6211 0.1040 0.2321 0.095 Uiso 1 1 calc R U . . .
H66C H 0.5602 0.0827 0.2874 0.095 Uiso 1 1 calc R U . . .
C67 C 0.6712(8) -0.0646(8) 0.3170(6) 0.063(3) Uani 1 1 d . . . . .
H67A H 0.7132 -0.1026 0.3158 0.094 Uiso 1 1 calc R U . . .
H67B H 0.6377 -0.0814 0.2716 0.094 Uiso 1 1 calc R U . . .
H67C H 0.6309 -0.0633 0.3537 0.094 Uiso 1 1 calc R U . . .
C68 C 0.8450(7) 0.0122(6) 0.4171(5) 0.049(3) Uani 1 1 d . . . . .
H68A H 0.8146 0.0154 0.4594 0.073 Uiso 1 1 calc R U . . .
H68B H 0.9052 0.0390 0.4302 0.073 Uiso 1 1 calc R U . . .
H68C H 0.8464 -0.0441 0.3885 0.073 Uiso 1 1 calc R U . . .
C69 C 0.8845(7) 0.1935(7) 0.4291(5) 0.050(3) Uani 1 1 d . . . . .
H69A H 0.8880 0.2438 0.4196 0.075 Uiso 1 1 calc R U . . .
H69B H 0.9405 0.1716 0.4205 0.075 Uiso 1 1 calc R U . . .
H69C H 0.8718 0.2036 0.4781 0.075 Uiso 1 1 calc R U . . .
C70 C 0.7364(7) 0.2258(6) 0.3286(6) 0.052(3) Uani 1 1 d . . . . .
H70A H 0.6990 0.2541 0.3647 0.078 Uiso 1 1 calc R U . . .
H70B H 0.7080 0.2159 0.2823 0.078 Uiso 1 1 calc R U . . .
H70C H 0.7933 0.2586 0.3337 0.078 Uiso 1 1 calc R U . . .
C71 C 1.1746(6) -0.0560(7) 0.3726(5) 0.039(3) Uani 1 1 d . . . . .
C72 C 1.1934(6) -0.1204(5) 0.3132(4) 0.025(2) Uani 1 1 d . . . . .
C73 C 1.2831(6) -0.1067(6) 0.2974(5) 0.031(2) Uani 1 1 d . . . . .
C74 C 1.3205(7) -0.0299(7) 0.3444(5) 0.046(3) Uani 1 1 d . . . . .
C75 C 1.2560(7) 0.0002(6) 0.3933(5) 0.037(3) Uani 1 1 d . . . . .
C76 C 1.0903(7) -0.0479(7) 0.4049(6) 0.062(4) Uani 1 1 d . . . . .
H76A H 1.0423 -0.0641 0.3683 0.093 Uiso 1 1 calc R U . . .
H76B H 1.0888 0.0079 0.4346 0.093 Uiso 1 1 calc R U . . .
H76C H 1.0834 -0.0823 0.4335 0.093 Uiso 1 1 calc R U . . .
C77 C 1.1345(6) -0.1997(5) 0.2827(5) 0.033(2) Uani 1 1 d . . . . .
H77A H 1.1584 -0.2401 0.2981 0.049 Uiso 1 1 calc R U . . .
H77B H 1.1318 -0.2172 0.2315 0.049 Uiso 1 1 calc R U . . .
H77C H 1.0753 -0.1930 0.2988 0.049 Uiso 1 1 calc R U . . .
C78 C 1.3296(8) -0.1601(7) 0.2423(6) 0.060(3) Uani 1 1 d . . . . .
H78A H 1.3680 -0.1283 0.2214 0.090 Uiso 1 1 calc R U . . .
H78B H 1.2868 -0.1972 0.2062 0.090 Uiso 1 1 calc R U . . .
H78C H 1.3650 -0.1905 0.2624 0.090 Uiso 1 1 calc R U . . .
C79 C 1.4123(6) 0.0105(9) 0.3483(7) 0.078(4) Uani 1 1 d . U . . .
H79A H 1.4152 0.0671 0.3774 0.117 Uiso 1 1 calc R U . . .
H79B H 1.4287 0.0062 0.3012 0.117 Uiso 1 1 calc R U . . .
H79C H 1.4529 -0.0154 0.3690 0.117 Uiso 1 1 calc R U . . .
C80 C 1.2662(8) 0.0817(7) 0.4538(5) 0.066(4) Uani 1 1 d . U . . .
H80A H 1.2955 0.0764 0.4951 0.099 Uiso 1 1 calc R U . . .
H80B H 1.2081 0.0985 0.4650 0.099 Uiso 1 1 calc R U . . .
H80C H 1.3015 0.1218 0.4396 0.099 Uiso 1 1 calc R U . . .
C81 C 0.9169(9) 0.7639(7) 0.4290(7) 0.075(4) Uani 1 1 d D U . . .
C82 C 0.4132(11) 0.8533(10) 0.4743(9) 0.092(5) Uani 1 1 d . U . . .
C83 C 0.5071(13) 0.7289(10) 0.1235(8) 0.109(6) Uani 1 1 d D U . . .
C85 C 0.9821(12) 0.4570(11) 0.4036(9) 0.126(7) Uani 1 1 d . . . . .
O21 O 0.9416(8) 0.4179(6) 0.3353(5) 0.108(4) Uani 1 1 d . . . . .
C86 C 0.5231(13) 0.5910(15) 0.4446(10) 0.155(9) Uani 1 1 d . . . . .
O22 O 0.5332(8) 0.5776(8) 0.5121(6) 0.130(4) Uani 1 1 d . . . . .
S4 S 0.1579(5) 0.6670(3) 0.0387(3) 0.053(2) Uani 0.574(11) 1 d D . P A 1
O18 O 0.2329(15) 0.628(2) 0.038(2) 0.097(8) Uani 0.574(11) 1 d D U P A 1
O19 O 0.145(2) 0.7176(15) 0.1084(9) 0.053(5) Uani 0.574(11) 1 d D U P A 1
O20 O 0.133(3) 0.690(2) -0.0191(19) 0.061(5) Uani 0.574(11) 1 d D U P A 1
C84 C 0.0711(18) 0.5855(17) 0.0238(15) 0.078(8) Uani 0.574(11) 1 d . U P A 1
F10 F 0.072(2) 0.5350(15) -0.0375(12) 0.134(12) Uani 0.574(11) 1 d . U P A 1
F11 F 0.0804(17) 0.5518(9) 0.0689(7) 0.061(5) Uani 0.574(11) 1 d . U P A 1
F12 F -0.0090(13) 0.6111(11) 0.0250(11) 0.083(6) Uani 0.574(11) 1 d . U P A 1
S4' S 0.0896(6) 0.6771(4) 0.0302(4) 0.046(3) Uani 0.426(11) 1 d D . P A 2
O18' O -0.002(2) 0.6516(16) 0.0229(13) 0.062(7) Uani 0.426(11) 1 d . U P A 2
O19' O 0.119(3) 0.730(2) 0.0992(13) 0.053(5) Uani 0.426(11) 1 d D . P A 2
O20' O 0.143(5) 0.712(3) -0.022(3) 0.061(5) Uani 0.426(11) 1 d . . P A 2
C84' C 0.1358(14) 0.5866(11) 0.0204(12) 0.043(7) Uani 0.426(11) 1 d D U P A 2
F10' F 0.1098(19) 0.5294(13) -0.0411(12) 0.076(9) Uani 0.426(11) 1 d D U P A 2
F11' F 0.115(3) 0.554(2) 0.0692(16) 0.16(2) Uani 0.426(11) 1 d D U P A 2
F12' F 0.2226(14) 0.5944(19) 0.022(2) 0.097(8) Uani 0.426(11) 1 d D . P A 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
C21 Rh1 C22 38.7(3) . .
C21 Rh1 N1 103.4(3) . .
C22 Rh1 N1 139.7(3) . .
C21 Rh1 N3 105.0(3) . .
C22 Rh1 N3 97.2(3) . .
N1 Rh1 N3 77.5(3) . .
C21 Rh1 C23 64.9(3) . .
C22 Rh1 C23 37.2(3) . .
N1 Rh1 C23 159.5(3) . .
N3 Rh1 C23 120.9(4) . .
C21 Rh1 N4 163.8(3) . .
C22 Rh1 N4 129.7(3) . .
N1 Rh1 N4 90.2(2) . .
N3 Rh1 N4 86.3(2) . .
C23 Rh1 N4 99.5(3) . .
C21 Rh1 C24 65.7(3) . .
C22 Rh1 C24 63.5(3) . .
N1 Rh1 C24 122.2(3) . .
N3 Rh1 C24 159.1(3) . .
C23 Rh1 C24 38.5(4) . .
N4 Rh1 C24 99.7(3) . .
C21 Rh1 C25 38.8(3) . .
C22 Rh1 C25 63.4(3) . .
N1 Rh1 C25 95.9(3) . .
N3 Rh1 C25 141.3(3) . .
C23 Rh1 C25 64.2(4) . .
N4 Rh1 C25 132.2(3) . .
C24 Rh1 C25 39.0(3) . .
C33 Rh2 C32 38.8(3) . .
C33 Rh2 C31 64.7(4) . .
C32 Rh2 C31 38.8(3) . .
C33 Rh2 N2 154.3(3) . .
C32 Rh2 N2 153.9(3) . .
C31 Rh2 N2 116.1(3) . .
C33 Rh2 N5 98.2(3) . 2_666
C32 Rh2 N5 117.1(3) . 2_666
C31 Rh2 N5 155.6(3) . 2_666
N2 Rh2 N5 87.0(3) . 2_666
C33 Rh2 O3 127.6(3) . .
C32 Rh2 O3 92.5(3) . .
C31 Rh2 O3 89.2(3) . .
N2 Rh2 O3 77.4(2) . .
N5 Rh2 O3 88.5(2) 2_666 .
C33 Rh2 C35 65.4(4) . .
C32 Rh2 C35 64.6(4) . .
C31 Rh2 C35 37.4(3) . .
N2 Rh2 C35 99.1(3) . .
N5 Rh2 C35 152.4(3) 2_666 .
O3 Rh2 C35 119.1(3) . .
C33 Rh2 C34 39.5(3) . .
C32 Rh2 C34 65.1(4) . .
C31 Rh2 C34 63.9(4) . .
N2 Rh2 C34 115.8(3) . .
N5 Rh2 C34 114.6(3) 2_666 .
O3 Rh2 C34 152.9(3) . .
C35 Rh2 C34 38.8(3) . .
C63 Rh3 N8 101.6(3) . .
C63 Rh3 N9 160.0(4) . .
N8 Rh3 N9 88.5(3) . .
C63 Rh3 N6 107.4(3) . .
N8 Rh3 N6 76.5(3) . .
N9 Rh3 N6 91.7(3) . .
C63 Rh3 C65 64.3(3) . .
N8 Rh3 C65 162.1(3) . .
N9 Rh3 C65 101.9(3) . .
N6 Rh3 C65 117.1(3) . .
C63 Rh3 C62 39.0(4) . .
N8 Rh3 C62 97.8(4) . .
N9 Rh3 C62 123.0(3) . .
N6 Rh3 C62 144.9(3) . .
C65 Rh3 C62 64.4(4) . .
C63 Rh3 C61 64.7(3) . .
N8 Rh3 C61 127.2(4) . .
N9 Rh3 C61 95.4(3) . .
N6 Rh3 C61 155.3(4) . .
C65 Rh3 C61 38.2(4) . .
C62 Rh3 C61 38.6(3) . .
C63 Rh3 C64 38.6(3) . .
N8 Rh3 C64 135.5(3) . .
N9 Rh3 C64 135.9(3) . .
N6 Rh3 C64 95.3(3) . .
C65 Rh3 C64 37.5(3) . .
C62 Rh3 C64 64.3(4) . .
C61 Rh3 C64 63.5(4) . .
C74 Rh4 N7 156.4(4) . .
C74 Rh4 C75 39.3(4) . .
N7 Rh4 C75 117.9(3) . .
C74 Rh4 N10 115.0(4) . 2_755
N7 Rh4 N10 86.5(3) . 2_755
C75 Rh4 N10 153.9(4) . 2_755
C74 Rh4 O7 93.9(3) . .
N7 Rh4 O7 76.8(3) . .
C75 Rh4 O7 89.1(3) . .
N10 Rh4 O7 88.0(2) 2_755 .
C74 Rh4 C72 65.6(4) . .
N7 Rh4 C72 115.2(3) . .
C75 Rh4 C72 64.5(3) . .
N10 Rh4 C72 115.1(3) 2_755 .
O7 Rh4 C72 153.6(3) . .
C74 Rh4 C71 66.8(4) . .
N7 Rh4 C71 98.9(3) . .
C75 Rh4 C71 39.7(4) . .
N10 Rh4 C71 152.1(3) 2_755 .
O7 Rh4 C71 119.9(3) . .
C72 Rh4 C71 38.1(3) . .
C74 Rh4 C73 38.8(4) . .
N7 Rh4 C73 152.6(3) . .
C75 Rh4 C73 64.3(4) . .
N10 Rh4 C73 98.6(3) 2_755 .
O7 Rh4 C73 130.1(3) . .
C72 Rh4 C73 38.5(3) . .
C71 Rh4 C73 64.8(4) . .
C2 N1 C1 106.5(7) . .
C2 N1 Rh1 141.7(6) . .
C1 N1 Rh1 110.6(5) . .
C1 N2 C3 105.5(7) . .
C1 N2 Rh2 143.6(6) . .
C3 N2 Rh2 110.6(5) . .
C8 N3 C4 118.9(8) . .
C8 N3 Rh1 124.7(6) . .
C4 N3 Rh1 116.3(6) . .
C11 N4 C15 118.2(7) . .
C11 N4 Rh1 120.9(6) . .
C15 N4 Rh1 120.4(6) . .
C20 N5 C16 116.8(8) . .
C20 N5 Rh2 121.0(7) . 2_666
C16 N5 Rh2 122.1(5) . 2_666
C42 N6 C41 106.6(7) . .
C42 N6 Rh3 139.1(6) . .
C41 N6 Rh3 111.9(6) . .
C41 N7 C43 103.7(8) . .
C41 N7 Rh4 143.0(6) . .
C43 N7 Rh4 112.9(6) . .
C44 N8 C48 117.6(8) . .
C44 N8 Rh3 116.8(6) . .
C48 N8 Rh3 125.5(6) . .
C55 N9 C51 117.5(9) . .
C55 N9 Rh3 122.8(7) . .
C51 N9 Rh3 119.7(7) . .
C60 N10 C56 116.2(8) . .
C60 N10 Rh4 123.3(6) . 2_755
C56 N10 Rh4 120.5(6) . 2_755
C10 O3 Rh2 116.3(6) . .
C50 O7 Rh4 116.5(6) . .
O11 S1 O9 116.8(6) . .
O11 S1 O10 113.7(6) . .
O9 S1 O10 114.8(6) . .
O11 S1 C81 102.1(5) . .
O9 S1 C81 103.4(5) . .
O10 S1 C81 103.5(6) . .
O12 S2 O13 116.0(5) . .
O12 S2 O14 114.2(5) . .
O13 S2 O14 114.6(6) . .
O12 S2 C82 102.5(7) . .
O13 S2 C82 103.9(7) . .
O14 S2 C82 103.1(7) . .
O17 S3 O15 119.5(8) . .
O17 S3 O16 111.8(8) . .
O15 S3 O16 115.8(8) . .
O17 S3 C83 99.2(9) . .
O15 S3 C83 99.6(8) . .
O16 S3 C83 107.8(7) . .
N2 C1 N1 111.7(7) . .
N2 C1 C4 129.1(8) . .
N1 C1 C4 119.0(8) . .
N1 C2 C3 108.1(8) . .
N1 C2 C9 121.8(8) . .
C3 C2 C9 130.1(8) . .
N2 C3 C2 108.1(7) . .
N2 C3 C10 119.4(9) . .
C2 C3 C10 132.4(9) . .
N3 C4 C5 122.0(9) . .
N3 C4 C1 114.0(8) . .
C5 C4 C1 123.9(8) . .
C4 C5 C6 120.9(9) . .
C5 C6 C7 114.8(9) . .
C8 C7 C6 120.6(9) . .
N3 C8 C7 122.7(8) . .
O2 C9 O1 120.5(9) . .
O2 C9 C2 121.9(8) . .
O1 C9 C2 117.6(9) . .
O4 C10 O3 123.3(8) . .
O4 C10 C3 122.0(9) . .
O3 C10 C3 114.7(9) . .
N4 C11 C12 122.1(8) . .
C11 C12 C13 120.4(9) . .
C14 C13 C12 116.8(8) . .
C14 C13 C18 120.6(8) . .
C12 C13 C18 122.5(9) . .
C13 C14 C15 121.5(9) . .
N4 C15 C14 120.9(8) . .
N5 C16 C17 123.3(8) . .
C18 C17 C16 117.1(9) . .
C19 C18 C17 119.3(9) . .
C19 C18 C13 119.7(8) . .
C17 C18 C13 121.1(8) . .
C18 C19 C20 120.1(9) . .
N5 C20 C19 123.1(10) . .
C22 C21 C25 105.8(7) . .
C22 C21 C26 129.9(8) . .
C25 C21 C26 124.0(8) . .
C22 C21 Rh1 70.9(5) . .
C25 C21 Rh1 72.8(5) . .
C26 C21 Rh1 125.1(6) . .
C23 C22 C21 111.3(8) . .
C23 C22 C27 126.1(8) . .
C21 C22 C27 122.6(7) . .
C23 C22 Rh1 71.8(5) . .
C21 C22 Rh1 70.4(5) . .
C27 C22 Rh1 127.0(6) . .
C22 C23 C24 108.5(8) . .
C22 C23 C28 126.1(10) . .
C24 C23 C28 125.1(9) . .
C22 C23 Rh1 71.0(5) . .
C24 C23 Rh1 71.5(5) . .
C28 C23 Rh1 128.3(6) . .
C23 C24 C25 106.6(7) . .
C23 C24 C29 126.6(9) . .
C25 C24 C29 126.7(9) . .
C23 C24 Rh1 70.0(5) . .
C25 C24 Rh1 71.4(5) . .
C29 C24 Rh1 126.8(6) . .
C21 C25 C24 107.6(7) . .
C21 C25 C30 127.1(8) . .
C24 C25 C30 125.1(8) . .
C21 C25 Rh1 68.4(5) . .
C24 C25 Rh1 69.6(5) . .
C30 C25 Rh1 131.4(6) . .
C35 C31 C32 110.2(8) . .
C35 C31 C36 124.4(9) . .
C32 C31 C36 125.4(9) . .
C35 C31 Rh2 71.9(5) . .
C32 C31 Rh2 70.5(5) . .
C36 C31 Rh2 124.4(7) . .
C33 C32 C31 107.4(8) . .
C33 C32 C37 129.0(9) . .
C31 C32 C37 123.6(9) . .
C33 C32 Rh2 70.6(5) . .
C31 C32 Rh2 70.8(5) . .
C37 C32 Rh2 122.5(6) . .
C32 C33 C34 107.4(9) . .
C32 C33 C38 127.6(9) . .
C34 C33 C38 124.5(9) . .
C32 C33 Rh2 70.6(5) . .
C34 C33 Rh2 71.4(5) . .
C38 C33 Rh2 129.5(6) . .
C35 C34 C33 106.8(9) . .
C35 C34 C39 127.3(9) . .
C33 C34 C39 125.2(9) . .
C35 C34 Rh2 70.2(5) . .
C33 C34 Rh2 69.1(5) . .
C39 C34 Rh2 133.3(6) . .
C31 C35 C34 108.2(8) . .
C31 C35 C40 127.8(10) . .
C34 C35 C40 124.0(10) . .
C31 C35 Rh2 70.7(5) . .
C34 C35 Rh2 71.0(5) . .
C40 C35 Rh2 126.1(7) . .
N7 C41 N6 112.0(8) . .
N7 C41 C44 128.5(9) . .
N6 C41 C44 119.5(8) . .
N6 C42 C43 107.8(8) . .
N6 C42 C49 122.6(9) . .
C43 C42 C49 129.2(9) . .
C42 C43 N7 109.9(8) . .
C42 C43 C50 132.5(10) . .
N7 C43 C50 117.6(9) . .
N8 C44 C45 122.3(9) . .
N8 C44 C41 112.9(8) . .
C45 C44 C41 124.6(9) . .
C44 C45 C46 120.6(10) . .
C45 C46 C47 117.7(10) . .
C48 C47 C46 120.3(10) . .
N8 C48 C47 121.2(9) . .
O6 C49 O5 119.2(9) . .
O6 C49 C42 123.6(9) . .
O5 C49 C42 117.2(9) . .
O8 C50 O7 121.4(9) . .
O8 C50 C43 124.1(11) . .
O7 C50 C43 114.5(10) . .
N9 C51 C52 122.2(11) . .
C51 C52 C53 121.3(11) . .
C54 C53 C52 114.0(9) . .
C54 C53 C58 124.2(9) . .
C52 C53 C58 121.7(10) . .
C55 C54 C53 122.4(10) . .
N9 C55 C54 122.4(10) . .
N10 C56 C57 122.8(8) . .
C56 C57 C58 117.6(9) . .
C57 C58 C59 119.5(9) . .
C57 C58 C53 120.2(9) . .
C59 C58 C53 119.5(8) . .
C60 C59 C58 116.5(9) . .
N10 C60 C59 126.5(10) . .
C65 C61 C62 107.9(9) . .
C65 C61 C66 124.5(9) . .
C62 C61 C66 127.5(10) . .
C65 C61 Rh3 70.5(5) . .
C62 C61 Rh3 70.6(6) . .
C66 C61 Rh3 126.8(7) . .
C63 C62 C61 106.3(10) . .
C63 C62 C67 128.8(10) . .
C61 C62 C67 124.8(10) . .
C63 C62 Rh3 68.2(5) . .
C61 C62 Rh3 70.8(6) . .
C67 C62 Rh3 128.4(8) . .
C64 C63 C62 109.1(9) . .
C64 C63 C68 126.5(10) . .
C62 C63 C68 123.7(10) . .
C64 C63 Rh3 74.1(5) . .
C62 C63 Rh3 72.8(5) . .
C68 C63 Rh3 127.1(7) . .
C65 C64 C63 106.9(9) . .
C65 C64 C69 129.0(10) . .
C63 C64 C69 124.1(9) . .
C65 C64 Rh3 69.7(5) . .
C63 C64 Rh3 67.3(5) . .
C69 C64 Rh3 127.2(7) . .
C64 C65 C61 109.4(9) . .
C64 C65 C70 126.5(10) . .
C61 C65 C70 123.4(9) . .
C64 C65 Rh3 72.8(5) . .
C61 C65 Rh3 71.3(6) . .
C70 C65 Rh3 129.9(6) . .
C72 C71 C76 126.3(10) . .
C72 C71 C75 105.7(8) . .
C76 C71 C75 128.0(10) . .
C72 C71 Rh4 70.5(5) . .
C76 C71 Rh4 124.2(7) . .
C75 C71 Rh4 69.0(5) . .
C71 C72 C73 109.9(8) . .
C71 C72 C77 123.9(8) . .
C73 C72 C77 124.8(8) . .
C71 C72 Rh4 71.4(5) . .
C73 C72 Rh4 71.4(5) . .
C77 C72 Rh4 134.8(6) . .
C74 C73 C72 108.1(9) . .
C74 C73 C78 124.7(9) . .
C72 C73 C78 127.2(9) . .
C74 C73 Rh4 67.9(5) . .
C72 C73 Rh4 70.1(5) . .
C78 C73 Rh4 126.6(7) . .
C73 C74 C75 107.2(9) . .
C73 C74 C79 127.8(11) . .
C75 C74 C79 124.7(11) . .
C73 C74 Rh4 73.3(5) . .
C75 C74 Rh4 71.6(6) . .
C79 C74 Rh4 124.8(7) . .
C74 C75 C71 108.8(9) . .
C74 C75 C80 126.2(10) . .
C71 C75 C80 124.7(10) . .
C74 C75 Rh4 69.0(5) . .
C71 C75 Rh4 71.2(5) . .
C80 C75 Rh4 121.4(6) . .
F2 C81 F3 109.9(13) . .
F2 C81 F1 104.5(12) . .
F3 C81 F1 104.4(11) . .
F2 C81 S1 114.8(10) . .
F3 C81 S1 110.4(9) . .
F1 C81 S1 112.2(9) . .
F5 C82 F6 110.1(15) . .
F5 C82 F4 103.4(14) . .
F6 C82 F4 106.8(14) . .
F5 C82 S2 111.4(12) . .
F6 C82 S2 111.1(12) . .
F4 C82 S2 113.7(12) . .
F7 C83 F9 109.3(15) . .
F7 C83 F8 112.0(16) . .
F9 C83 F8 107.0(13) . .
F7 C83 S3 112.3(12) . .
F9 C83 S3 108.8(14) . .
F8 C83 S3 107.3(12) . .
O18 S4 O20 121(3) . .
O18 S4 O19 110.9(18) . .
O20 S4 O19 119(2) . .
O18 S4 C84 101.2(18) . .
O20 S4 C84 97.1(15) . .
O19 S4 C84 101.9(17) . .
F10 C84 F11 110(3) . .
F10 C84 F12 104(3) . .
F11 C84 F12 111(3) . .
F10 C84 S4 110(2) . .
F11 C84 S4 110(2) . .
F12 C84 S4 111.3(19) . .
O18' S4' O19' 113(2) . .
O18' S4' O20' 125(2) . .
O19' S4' O20' 106(3) . .
O18' S4' C84' 102.6(13) . .
O19' S4' C84' 105.4(14) . .
O20' S4' C84' 103(3) . .
F12' C84' F11' 105(2) . .
F12' C84' F10' 104.5(19) . .
F11' C84' F10' 106.0(19) . .
F12' C84' S4' 114.1(17) . .
F11' C84' S4' 114.4(18) . .
F10' C84' S4' 111.9(15) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 C21 2.135(8) .
Rh1 C22 2.141(8) .
Rh1 N1 2.143(6) .
Rh1 N3 2.143(7) .
Rh1 C23 2.151(8) .
Rh1 N4 2.161(7) .
Rh1 C24 2.171(9) .
Rh1 C25 2.194(8) .
Rh2 C33 2.131(8) .
Rh2 C32 2.132(8) .
Rh2 C31 2.136(8) .
Rh2 N2 2.136(7) .
Rh2 N5 2.139(7) 2_666
Rh2 O3 2.149(6) .
Rh2 C35 2.151(8) .
Rh2 C34 2.162(8) .
Rh3 C63 2.131(9) .
Rh3 N8 2.135(7) .
Rh3 N9 2.138(7) .
Rh3 N6 2.160(7) .
Rh3 C65 2.182(9) .
Rh3 C62 2.191(10) .
Rh3 C61 2.193(10) .
Rh3 C64 2.222(9) .
Rh4 C74 2.116(10) .
Rh4 N7 2.150(7) .
Rh4 C75 2.150(8) .
Rh4 N10 2.154(7) 2_755
Rh4 O7 2.158(6) .
Rh4 C72 2.169(8) .
Rh4 C71 2.181(9) .
Rh4 C73 2.187(9) .
N1 C2 1.339(10) .
N1 C1 1.384(10) .
N2 C1 1.347(10) .
N2 C3 1.382(11) .
N3 C8 1.302(11) .
N3 C4 1.324(11) .
N4 C11 1.331(10) .
N4 C15 1.337(9) .
N5 C20 1.308(10) .
N5 C16 1.387(10) .
N5 Rh2 2.139(7) 2_666
N6 C42 1.338(11) .
N6 C41 1.350(11) .
N7 C41 1.345(11) .
N7 C43 1.372(11) .
N8 C44 1.360(11) .
N8 C48 1.363(11) .
N9 C55 1.312(11) .
N9 C51 1.334(14) .
N10 C60 1.303(10) .
N10 C56 1.365(10) .
N10 Rh4 2.154(7) 2_755
O1 C9 1.339(11) .
O2 C9 1.221(11) .
O3 C10 1.281(11) .
O4 C10 1.246(11) .
O5 C49 1.334(12) .
O6 C49 1.204(11) .
O7 C50 1.306(12) .
O8 C50 1.216(12) .
O9 S1 1.418(8) .
O10 S1 1.422(8) .
O11 S1 1.400(8) .
O12 S2 1.411(7) .
O13 S2 1.425(8) .
O14 S2 1.454(8) .
O15 S3 1.438(11) .
O16 S3 1.523(11) .
O17 S3 1.432(12) .
S1 C81 1.795(14) .
S2 C82 1.751(17) .
S3 C83 1.788(19) .
F1 C81 1.358(12) .
F2 C81 1.283(12) .
F3 C81 1.334(12) .
F4 C82 1.363(18) .
F5 C82 1.325(16) .
F6 C82 1.335(17) .
F7 C83 1.241(17) .
F8 C83 1.403(14) .
F9 C83 1.353(16) .
C1 C4 1.467(12) .
C2 C3 1.414(12) .
C2 C9 1.476(13) .
C3 C10 1.465(12) .
C4 C5 1.380(12) .
C5 C6 1.392(13) .
C6 C7 1.396(13) .
C7 C8 1.380(13) .
C11 C12 1.367(12) .
C12 C13 1.381(10) .
C13 C14 1.341(13) .
C13 C18 1.483(12) .
C14 C15 1.389(12) .
C16 C17 1.409(12) .
C17 C18 1.393(12) .
C18 C19 1.364(13) .
C19 C20 1.405(13) .
C21 C22 1.416(11) .
C21 C25 1.439(10) .
C21 C26 1.510(12) .
C22 C23 1.369(11) .
C22 C27 1.529(12) .
C23 C24 1.425(13) .
C23 C28 1.479(12) .
C24 C25 1.456(12) .
C24 C29 1.474(11) .
C25 C30 1.510(12) .
C31 C35 1.374(13) .
C31 C32 1.416(12) .
C31 C36 1.505(13) .
C32 C33 1.416(11) .
C32 C37 1.498(12) .
C33 C34 1.450(13) .
C33 C38 1.536(13) .
C34 C35 1.433(13) .
C34 C39 1.554(14) .
C35 C40 1.475(13) .
C41 C44 1.454(12) .
C42 C43 1.359(12) .
C42 C49 1.492(12) .
C43 C50 1.495(13) .
C44 C45 1.366(13) .
C45 C46 1.368(14) .
C46 C47 1.387(12) .
C47 C48 1.383(11) .
C51 C52 1.374(13) .
C52 C53 1.382(11) .
C53 C54 1.374(12) .
C53 C58 1.475(13) .
C54 C55 1.365(13) .
C56 C57 1.379(12) .
C57 C58 1.387(11) .
C58 C59 1.411(14) .
C59 C60 1.349(13) .
C61 C65 1.433(14) .
C61 C62 1.448(13) .
C61 C66 1.504(13) .
C62 C63 1.444(14) .
C62 C67 1.465(15) .
C63 C64 1.440(13) .
C63 C68 1.488(12) .
C64 C65 1.416(12) .
C64 C69 1.485(14) .
C65 C70 1.499(13) .
C71 C72 1.420(13) .
C71 C76 1.467(13) .
C71 C75 1.472(13) .
C72 C73 1.437(12) .
C72 C77 1.522(12) .
C73 C74 1.430(14) .
C73 C78 1.464(14) .
C74 C75 1.437(14) .
C74 C79 1.500(14) .
C75 C80 1.546(14) .
C85 O21 1.419(17) .
C86 O22 1.482(18) .
S4 O18 1.412(17) .
S4 O20 1.427(19) .
S4 O19 1.435(16) .
S4 C84 1.80(3) .
C84 F10 1.27(3) .
C84 F11 1.27(3) .
C84 F12 1.36(3) .
S4' O18' 1.42(3) .
S4' O19' 1.432(18) .
S4' O20' 1.60(5) .
S4' C84' 1.789(16) .
C84' F12' 1.323(18) .
C84' F11' 1.337(17) .
C84' F10' 1.339(17) .
loop_
_geom_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
C3 N2 C1 N1 1.1(9) .
Rh2 N2 C1 N1 -171.3(6) .
C3 N2 C1 C4 -173.9(8) .
Rh2 N2 C1 C4 13.7(16) .
C2 N1 C1 N2 -3.1(9) .
Rh1 N1 C1 N2 167.3(5) .
C2 N1 C1 C4 172.5(7) .
Rh1 N1 C1 C4 -17.2(9) .
C1 N1 C2 C3 3.7(9) .
Rh1 N1 C2 C3 -161.6(7) .
C1 N1 C2 C9 -174.1(8) .
Rh1 N1 C2 C9 20.6(14) .
C1 N2 C3 C2 1.2(9) .
Rh2 N2 C3 C2 176.4(5) .
C1 N2 C3 C10 179.3(7) .
Rh2 N2 C3 C10 -5.5(9) .
N1 C2 C3 N2 -3.1(10) .
C9 C2 C3 N2 174.4(8) .
N1 C2 C3 C10 179.0(9) .
C9 C2 C3 C10 -3.4(17) .
C8 N3 C4 C5 0.7(13) .
Rh1 N3 C4 C5 180.0(7) .
C8 N3 C4 C1 -175.0(8) .
Rh1 N3 C4 C1 4.3(9) .
N2 C1 C4 N3 -176.2(8) .
N1 C1 C4 N3 9.1(11) .
N2 C1 C4 C5 8.1(15) .
N1 C1 C4 C5 -166.5(8) .
N3 C4 C5 C6 0.1(15) .
C1 C4 C5 C6 175.4(9) .
C4 C5 C6 C7 -2.1(15) .
C5 C6 C7 C8 3.4(15) .
C4 N3 C8 C7 0.8(14) .
Rh1 N3 C8 C7 -178.5(7) .
C6 C7 C8 N3 -2.9(16) .
N1 C2 C9 O2 8.2(14) .
C3 C2 C9 O2 -169.0(9) .
N1 C2 C9 O1 -172.7(8) .
C3 C2 C9 O1 10.1(15) .
Rh2 O3 C10 O4 -171.3(7) .
Rh2 O3 C10 C3 12.2(9) .
N2 C3 C10 O4 179.1(8) .
C2 C3 C10 O4 -3.3(15) .
N2 C3 C10 O3 -4.4(12) .
C2 C3 C10 O3 173.2(9) .
C15 N4 C11 C12 2.4(14) .
Rh1 N4 C11 C12 174.6(7) .
N4 C11 C12 C13 -3.8(15) .
C11 C12 C13 C14 3.2(14) .
C11 C12 C13 C18 -173.7(9) .
C12 C13 C14 C15 -1.4(15) .
C18 C13 C14 C15 175.5(8) .
C11 N4 C15 C14 -0.6(13) .
Rh1 N4 C15 C14 -172.8(7) .
C13 C14 C15 N4 0.1(15) .
C20 N5 C16 C17 -4.8(14) .
Rh2 N5 C16 C17 177.6(7) 2_666
N5 C16 C17 C18 1.0(14) .
C16 C17 C18 C19 3.6(14) .
C16 C17 C18 C13 -176.6(9) .
C14 C13 C18 C19 -149.0(10) .
C12 C13 C18 C19 27.7(14) .
C14 C13 C18 C17 31.2(14) .
C12 C13 C18 C17 -152.1(10) .
C17 C18 C19 C20 -4.3(16) .
C13 C18 C19 C20 175.9(9) .
C16 N5 C20 C19 4.1(15) .
Rh2 N5 C20 C19 -178.3(8) 2_666
C18 C19 C20 N5 0.3(17) .
C25 C21 C22 C23 -4.6(9) .
C26 C21 C22 C23 -179.3(9) .
Rh1 C21 C22 C23 60.4(6) .
C25 C21 C22 C27 172.9(8) .
C26 C21 C22 C27 -1.8(14) .
Rh1 C21 C22 C27 -122.1(8) .
C25 C21 C22 Rh1 -65.0(5) .
C26 C21 C22 Rh1 120.3(10) .
C21 C22 C23 C24 2.5(10) .
C27 C22 C23 C24 -175.0(8) .
Rh1 C22 C23 C24 62.0(6) .
C21 C22 C23 C28 176.4(8) .
C27 C22 C23 C28 -1.1(14) .
Rh1 C22 C23 C28 -124.1(9) .
C21 C22 C23 Rh1 -59.5(6) .
C27 C22 C23 Rh1 123.0(8) .
C22 C23 C24 C25 0.7(10) .
C28 C23 C24 C25 -173.2(8) .
Rh1 C23 C24 C25 62.4(6) .
C22 C23 C24 C29 176.7(8) .
C28 C23 C24 C29 2.7(15) .
Rh1 C23 C24 C29 -121.6(9) .
C22 C23 C24 Rh1 -61.7(6) .
C28 C23 C24 Rh1 124.3(9) .
C22 C21 C25 C24 4.9(9) .
C26 C21 C25 C24 -180.0(8) .
Rh1 C21 C25 C24 -58.8(6) .
C22 C21 C25 C30 -170.0(8) .
C26 C21 C25 C30 5.0(14) .
Rh1 C21 C25 C30 126.3(9) .
C22 C21 C25 Rh1 63.7(5) .
C26 C21 C25 Rh1 -121.2(9) .
C23 C24 C25 C21 -3.6(9) .
C29 C24 C25 C21 -179.5(8) .
Rh1 C24 C25 C21 58.0(6) .
C23 C24 C25 C30 171.5(8) .
C29 C24 C25 C30 -4.4(14) .
Rh1 C24 C25 C30 -126.9(8) .
C23 C24 C25 Rh1 -61.5(6) .
C29 C24 C25 Rh1 122.6(9) .
C35 C31 C32 C33 0.2(10) .
C36 C31 C32 C33 -179.8(8) .
Rh2 C31 C32 C33 61.4(6) .
C35 C31 C32 C37 -178.1(8) .
C36 C31 C32 C37 2.0(14) .
Rh2 C31 C32 C37 -116.9(8) .
C35 C31 C32 Rh2 -61.2(6) .
C36 C31 C32 Rh2 118.8(9) .
C31 C32 C33 C34 0.8(9) .
C37 C32 C33 C34 178.9(8) .
Rh2 C32 C33 C34 62.3(5) .
C31 C32 C33 C38 173.0(8) .
C37 C32 C33 C38 -8.8(15) .
Rh2 C32 C33 C38 -125.4(9) .
C31 C32 C33 Rh2 -61.5(6) .
C37 C32 C33 Rh2 116.6(9) .
C32 C33 C34 C35 -1.4(9) .
C38 C33 C34 C35 -174.0(8) .
Rh2 C33 C34 C35 60.4(6) .
C32 C33 C34 C39 169.2(8) .
C38 C33 C34 C39 -3.3(13) .
Rh2 C33 C34 C39 -129.0(9) .
C32 C33 C34 Rh2 -61.8(6) .
C38 C33 C34 Rh2 125.6(8) .
C32 C31 C35 C34 -1.1(10) .
C36 C31 C35 C34 178.8(8) .
Rh2 C31 C35 C34 -61.4(6) .
C32 C31 C35 C40 -178.5(9) .
C36 C31 C35 C40 1.5(15) .
Rh2 C31 C35 C40 121.2(10) .
C32 C31 C35 Rh2 60.3(6) .
C36 C31 C35 Rh2 -119.7(9) .
C33 C34 C35 C31 1.6(10) .
C39 C34 C35 C31 -168.8(8) .
Rh2 C34 C35 C31 61.3(6) .
C33 C34 C35 C40 179.0(8) .
C39 C34 C35 C40 8.7(14) .
Rh2 C34 C35 C40 -121.3(9) .
C33 C34 C35 Rh2 -59.7(5) .
C39 C34 C35 Rh2 129.9(9) .
C43 N7 C41 N6 -2.3(10) .
Rh4 N7 C41 N6 169.3(7) .
C43 N7 C41 C44 176.8(8) .
Rh4 N7 C41 C44 -11.6(16) .
C42 N6 C41 N7 2.3(10) .
Rh3 N6 C41 N7 -163.4(6) .
C42 N6 C41 C44 -176.9(8) .
Rh3 N6 C41 C44 17.4(9) .
C41 N6 C42 C43 -1.3(10) .
Rh3 N6 C42 C43 158.2(7) .
C41 N6 C42 C49 171.9(8) .
Rh3 N6 C42 C49 -28.7(14) .
N6 C42 C43 N7 -0.1(10) .
C49 C42 C43 N7 -172.7(9) .
N6 C42 C43 C50 -178.9(9) .
C49 C42 C43 C50 8.5(17) .
C41 N7 C43 C42 1.5(10) .
Rh4 N7 C43 C42 -173.1(6) .
C41 N7 C43 C50 -179.6(8) .
Rh4 N7 C43 C50 5.9(10) .
C48 N8 C44 C45 -0.7(13) .
Rh3 N8 C44 C45 -177.7(7) .
C48 N8 C44 C41 174.7(7) .
Rh3 N8 C44 C41 -2.2(9) .
N7 C41 C44 N8 170.4(8) .
N6 C41 C44 N8 -10.6(11) .
N7 C41 C44 C45 -14.3(15) .
N6 C41 C44 C45 164.8(9) .
N8 C44 C45 C46 -2.6(15) .
C41 C44 C45 C46 -177.5(9) .
C44 C45 C46 C47 5.1(16) .
C45 C46 C47 C48 -4.5(16) .
C44 N8 C48 C47 1.3(13) .
Rh3 N8 C48 C47 178.0(7) .
C46 C47 C48 N8 1.3(15) .
N6 C42 C49 O6 -7.0(15) .
C43 C42 C49 O6 164.5(10) .
N6 C42 C49 O5 174.0(9) .
C43 C42 C49 O5 -14.4(15) .
Rh4 O7 C50 O8 167.6(7) .
Rh4 O7 C50 C43 -12.5(10) .
C42 C43 C50 O8 2.9(17) .
N7 C43 C50 O8 -175.8(9) .
C42 C43 C50 O7 -177.0(9) .
N7 C43 C50 O7 4.3(12) .
C55 N9 C51 C52 -0.2(17) .
Rh3 N9 C51 C52 -178.3(9) .
N9 C51 C52 C53 2.9(19) .
C51 C52 C53 C54 -4.4(17) .
C51 C52 C53 C58 173.4(11) .
C52 C53 C54 C55 3.5(18) .
C58 C53 C54 C55 -174.1(11) .
C51 N9 C55 C54 -0.7(16) .
Rh3 N9 C55 C54 177.3(9) .
C53 C54 C55 N9 -1.1(19) .
C60 N10 C56 C57 9.4(16) .
Rh4 N10 C56 C57 -171.2(8) 2_755
N10 C56 C57 C58 -5.9(16) .
C56 C57 C58 C59 3.2(16) .
C56 C57 C58 C53 173.0(10) .
C54 C53 C58 C57 -19.6(17) .
C52 C53 C58 C57 162.9(11) .
C54 C53 C58 C59 150.1(12) .
C52 C53 C58 C59 -27.4(17) .
C57 C58 C59 C60 -4.1(18) .
C53 C58 C59 C60 -174.0(11) .
C56 N10 C60 C59 -10.9(18) .
Rh4 N10 C60 C59 169.7(11) 2_755
C58 C59 C60 N10 8(2) .
C65 C61 C62 C63 -1.7(11) .
C66 C61 C62 C63 -178.7(10) .
Rh3 C61 C62 C63 59.3(7) .
C65 C61 C62 C67 175.2(10) .
C66 C61 C62 C67 -1.9(17) .
Rh3 C61 C62 C67 -123.9(10) .
C65 C61 C62 Rh3 -60.9(7) .
C66 C61 C62 Rh3 122.1(11) .
C61 C62 C63 C64 4.9(11) .
C67 C62 C63 C64 -171.7(10) .
Rh3 C62 C63 C64 65.8(6) .
C61 C62 C63 C68 175.6(9) .
C67 C62 C63 C68 -1.0(17) .
Rh3 C62 C63 C68 -123.5(10) .
C61 C62 C63 Rh3 -60.9(7) .
C67 C62 C63 Rh3 122.5(11) .
C62 C63 C64 C65 -6.3(10) .
C68 C63 C64 C65 -176.7(9) .
Rh3 C63 C64 C65 58.6(6) .
C62 C63 C64 C69 174.6(9) .
C68 C63 C64 C69 4.2(15) .
Rh3 C63 C64 C69 -120.5(9) .
C62 C63 C64 Rh3 -64.9(7) .
C68 C63 C64 Rh3 124.7(10) .
C63 C64 C65 C61 5.2(10) .
C69 C64 C65 C61 -175.7(9) .
Rh3 C64 C65 C61 62.3(7) .
C63 C64 C65 C70 175.6(9) .
C69 C64 C65 C70 -5.3(16) .
Rh3 C64 C65 C70 -127.3(10) .
C63 C64 C65 Rh3 -57.1(6) .
C69 C64 C65 Rh3 122.0(10) .
C62 C61 C65 C64 -2.2(11) .
C66 C61 C65 C64 174.9(9) .
Rh3 C61 C65 C64 -63.3(7) .
C62 C61 C65 C70 -173.0(9) .
C66 C61 C65 C70 4.2(15) .
Rh3 C61 C65 C70 126.0(9) .
C62 C61 C65 Rh3 61.0(7) .
C66 C61 C65 Rh3 -121.8(10) .
C76 C71 C72 C73 -179.9(9) .
C75 C71 C72 C73 1.0(9) .
Rh4 C71 C72 C73 61.4(6) .
C76 C71 C72 C77 -13.3(14) .
C75 C71 C72 C77 167.6(7) .
Rh4 C71 C72 C77 -132.0(8) .
C76 C71 C72 Rh4 118.7(10) .
C75 C71 C72 Rh4 -60.4(6) .
C71 C72 C73 C74 -4.0(10) .
C77 C72 C73 C74 -170.5(8) .
Rh4 C72 C73 C74 57.4(6) .
C71 C72 C73 C78 177.2(9) .
C77 C72 C73 C78 10.7(13) .
Rh4 C72 C73 C78 -121.4(9) .
C71 C72 C73 Rh4 -61.4(6) .
C77 C72 C73 Rh4 132.1(8) .
C72 C73 C74 C75 5.3(10) .
C78 C73 C74 C75 -175.8(9) .
Rh4 C73 C74 C75 64.0(6) .
C72 C73 C74 C79 179.9(9) .
C78 C73 C74 C79 -1.3(16) .
Rh4 C73 C74 C79 -121.5(11) .
C72 C73 C74 Rh4 -58.7(6) .
C78 C73 C74 Rh4 120.1(9) .
C73 C74 C75 C71 -4.8(10) .
C79 C74 C75 C71 -179.5(9) .
Rh4 C74 C75 C71 60.4(6) .
C73 C74 C75 C80 -179.4(9) .
C79 C74 C75 C80 5.8(15) .
Rh4 C74 C75 C80 -114.3(9) .
C73 C74 C75 Rh4 -65.2(6) .
C79 C74 C75 Rh4 120.1(10) .
C72 C71 C75 C74 2.4(10) .
C76 C71 C75 C74 -176.7(10) .
Rh4 C71 C75 C74 -59.0(6) .
C72 C71 C75 C80 177.1(8) .
C76 C71 C75 C80 -1.9(15) .
Rh4 C71 C75 C80 115.8(9) .
C72 C71 C75 Rh4 61.4(6) .
C76 C71 C75 Rh4 -117.7(10) .
O11 S1 C81 F2 176.6(11) .
O9 S1 C81 F2 -61.8(12) .
O10 S1 C81 F2 58.3(12) .
O11 S1 C81 F3 -58.5(10) .
O9 S1 C81 F3 63.2(10) .
O10 S1 C81 F3 -176.8(9) .
O11 S1 C81 F1 57.5(10) .
O9 S1 C81 F1 179.2(9) .
O10 S1 C81 F1 -60.8(10) .
O12 S2 C82 F5 -67.3(14) .
O13 S2 C82 F5 53.9(14) .
O14 S2 C82 F5 173.8(13) .
O12 S2 C82 F6 55.8(13) .
O13 S2 C82 F6 177.0(12) .
O14 S2 C82 F6 -63.1(14) .
O12 S2 C82 F4 176.3(11) .
O13 S2 C82 F4 -62.5(12) .
O14 S2 C82 F4 57.4(13) .
O17 S3 C83 F7 67.5(14) .
O15 S3 C83 F7 -170.3(13) .
O16 S3 C83 F7 -49.1(14) .
O17 S3 C83 F9 -53.6(13) .
O15 S3 C83 F9 68.6(13) .
O16 S3 C83 F9 -170.2(11) .
O17 S3 C83 F8 -169.0(11) .
O15 S3 C83 F8 -46.8(12) .
O16 S3 C83 F8 74.4(13) .
O18 S4 C84 F10 -67(3) .
O20 S4 C84 F10 56(3) .
O19 S4 C84 F10 178(2) .
O18 S4 C84 F11 54(3) .
O20 S4 C84 F11 178(3) .
O19 S4 C84 F11 -60(2) .
O18 S4 C84 F12 178(2) .
O20 S4 C84 F12 -59(3) .
O19 S4 C84 F12 63(2) .
O18' S4' C84' F12' 177(2) .
O19' S4' C84' F12' -65(3) .
O20' S4' C84' F12' 46(3) .
O18' S4' C84' F11' -62(2) .
O19' S4' C84' F11' 56(3) .
O20' S4' C84' F11' 167(3) .
O18' S4' C84' F10' 58(2) .
O19' S4' C84' F10' 177(3) .
O20' S4' C84' F10' -73(2) .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 0.000 253 66 ' '
2 0.025 0.347 0.800 13 -2 ' '
3 -0.071 0.362 0.518 46 11 ' '
4 0.071 0.638 0.482 46 11 ' '
5 -0.025 0.653 0.200 13 -2 ' '
6 0.426 0.253 0.411 105 29 ' '
7 0.500 0.000 0.000 187 30 ' '
8 0.574 0.747 0.589 105 29 ' '
