#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:27:38 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179845 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/41/7014159.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_7014159
loop_
_publ_author_name
'Han, Won Seok'
'Lee, Soon W.'
_publ_section_title
;
 Various forms of linear dipyridyls in discrete rectangles, dinuclear
 rods, and one-dimensional networks containing
 (eta5-pentamethylcyclopentadienyl)rhodium(III).
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1656
_journal_page_last               1663
_journal_paper_doi               10.1039/b402201g
_journal_year                    2004
_chemical_formula_sum            'C64 H78 F12 N16 O13 Rh4 S4'
_chemical_formula_weight         2047.30
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                92.770(10)
_cell_angle_beta                 110.928(13)
_cell_angle_gamma                118.452(11)
_cell_formula_units_Z            2
_cell_length_a                   15.916(3)
_cell_length_b                   16.522(3)
_cell_length_c                   21.118(3)
_cell_measurement_reflns_used    27
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      12.51
_cell_measurement_theta_min      4.77
_cell_volume                     4396.0(16)
_computing_cell_refinement       'Siemens XSCANS'
_computing_data_collection       'Siemens XSCANS'
_computing_data_reduction        'Siemens SHELXTL'
_computing_molecular_graphics    'Siemens SHELXTL'
_computing_publication_material  'Siemens SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.946
_diffrn_measured_fraction_theta_max 0.946
_diffrn_measurement_device       'Siemens P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0205
_diffrn_reflns_av_sigmaI/netI    0.0474
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            15324
_diffrn_reflns_theta_full        25.06
_diffrn_reflns_theta_max         25.06
_diffrn_reflns_theta_min         2.01
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.920
_exptl_absorpt_correction_T_max  0.8578
_exptl_absorpt_correction_T_min  0.5413
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            'ORANGE            '
_exptl_crystal_density_diffrn    1.547
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'BLOCK             '
_exptl_crystal_F_000             2060
_exptl_crystal_size_max          0.54
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_refine_diff_density_max         1.396
_refine_diff_density_min         -0.499
_refine_diff_density_rms         0.105
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1038
_refine_ls_number_reflns         14740
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0739
_refine_ls_R_factor_gt           0.0515
_refine_ls_shift/su_max          0.351
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0833P)²+4.3431P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1350
_refine_ls_wR_factor_ref         0.1506
_reflns_number_gt                11092
_reflns_number_total             14740
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b402201g.txt
_cod_data_source_block           comp4a
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        4396.0(12)
_cod_original_sg_symbol_H-M      'P-1   '
_cod_database_code               7014159
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.27595(4) -0.66728(3) -0.37544(2) 0.04750(13) Uani 1 1 d . . .
Rh2 Rh 0.21341(4) -0.56521(3) -0.51014(2) 0.04735(13) Uani 1 1 d . . .
Rh3 Rh 0.78927(3) 0.03661(3) 0.04600(2) 0.03946(12) Uani 1 1 d . . .
Rh4 Rh 0.75788(3) 0.14102(3) -0.09212(2) 0.04167(13) Uani 1 1 d . . .
O13 O 0.8746(7) 0.9709(6) 0.2843(5) 0.151(3) Uani 1 1 d . . .
N1 N 0.3286(4) -0.5997(4) -0.4511(3) 0.0536(12) Uani 1 1 d . . .
N2 N 0.3872(5) -0.6089(5) -0.4698(3) 0.0709(16) Uani 1 1 d . . .
N3 N 0.4462(8) -0.6140(8) -0.4862(5) 0.138(4) Uani 1 1 d . . .
N4 N 0.1705(4) -0.6224(4) -0.4291(3) 0.0534(12) Uani 1 1 d . . .
N5 N 0.0870(5) -0.6498(4) -0.4263(3) 0.0648(14) Uani 1 1 d . . .
N6 N 0.0081(6) -0.6751(6) -0.4216(5) 0.106(3) Uani 1 1 d . . .
N7 N 0.8532(4) 0.0906(3) -0.0283(2) 0.0468(11) Uani 1 1 d . . .
N8 N 0.9346(4) 0.1048(4) -0.0257(3) 0.0596(13) Uani 1 1 d . . .
N9 N 1.0124(6) 0.1179(7) -0.0239(4) 0.111(3) Uani 1 1 d . . .
N10 N 0.6871(4) 0.0783(3) -0.0228(2) 0.0461(11) Uani 1 1 d . . .
N11 N 0.6253(4) 0.0937(4) -0.0127(3) 0.0562(13) Uani 1 1 d . . .
N12 N 0.5660(6) 0.1084(6) -0.0050(4) 0.101(2) Uani 1 1 d . . .
N13 N 0.3740(4) -0.5306(3) -0.3015(2) 0.0465(11) Uani 1 1 d . . .
N14 N 0.6942(3) -0.1002(3) -0.0305(2) 0.0418(10) Uani 1 1 d . . .
N15 N 0.3152(4) -0.4307(3) -0.4318(2) 0.0459(11) Uani 1 1 d . . .
N16 N 0.6566(4) 0.0026(3) -0.1629(2) 0.0451(11) Uani 1 1 d . . .
C1 C 0.3392(6) -0.7567(5) -0.3495(4) 0.071(2) Uani 1 1 d . . .
C2 C 0.3170(6) -0.7333(5) -0.2939(4) 0.072(2) Uani 1 1 d . . .
C3 C 0.2084(6) -0.7653(5) -0.3213(4) 0.0686(18) Uani 1 1 d . . .
C4 C 0.1595(6) -0.8165(4) -0.3947(4) 0.0652(18) Uani 1 1 d . . .
C5 C 0.2388(6) -0.8094(5) -0.4116(4) 0.0669(18) Uani 1 1 d . . .
C6 C 0.4431(7) -0.7377(7) -0.3431(5) 0.101(3) Uani 1 1 d . . .
H6A H 0.4469 -0.7311 -0.3871 0.121 Uiso 1 1 calc R . .
H6B H 0.4508 -0.7898 -0.3311 0.121 Uiso 1 1 calc R . .
H6C H 0.4988 -0.6798 -0.3070 0.121 Uiso 1 1 calc R . .
C7 C 0.3986(8) -0.6815(6) -0.2173(4) 0.097(3) Uani 1 1 d . . .
H7A H 0.4653 -0.6343 -0.2159 0.117 Uiso 1 1 calc R . .
H7B H 0.4072 -0.7268 -0.1932 0.117 Uiso 1 1 calc R . .
H7C H 0.3745 -0.6509 -0.1948 0.117 Uiso 1 1 calc R . .
C8 C 0.1504(8) -0.7587(6) -0.2809(5) 0.104(3) Uani 1 1 d . . .
H8A H 0.0866 -0.7631 -0.3124 0.125 Uiso 1 1 calc R . .
H8B H 0.1947 -0.6987 -0.2456 0.125 Uiso 1 1 calc R . .
H8C H 0.1328 -0.8100 -0.2587 0.125 Uiso 1 1 calc R . .
C9 C 0.0430(6) -0.8695(5) -0.4419(5) 0.087(2) Uani 1 1 d . . .
H9A H 0.0101 -0.8444 -0.4240 0.105 Uiso 1 1 calc R . .
H9B H 0.0121 -0.9361 -0.4435 0.105 Uiso 1 1 calc R . .
H9C H 0.0321 -0.8620 -0.4884 0.105 Uiso 1 1 calc R . .
C10 C 0.2249(8) -0.8536(6) -0.4802(4) 0.095(3) Uani 1 1 d . . .
H10A H 0.2869 -0.8143 -0.4873 0.114 Uiso 1 1 calc R . .
H10B H 0.1642 -0.8591 -0.5173 0.114 Uiso 1 1 calc R . .
H10C H 0.2144 -0.9158 -0.4806 0.114 Uiso 1 1 calc R . .
C11 C 0.1932(7) -0.6066(6) -0.6154(3) 0.076(2) Uani 1 1 d . . .
C12 C 0.2135(6) -0.5115(5) -0.6006(3) 0.0699(19) Uani 1 1 d . . .
C13 C 0.1268(6) -0.5213(6) -0.5877(3) 0.073(2) Uani 1 1 d . . .
C14 C 0.0586(6) -0.6181(6) -0.5940(4) 0.082(2) Uani 1 1 d . . .
C15 C 0.1004(7) -0.6706(5) -0.6098(3) 0.075(2) Uani 1 1 d . . .
C16 C 0.2604(9) -0.6311(9) -0.6360(4) 0.127(4) Uani 1 1 d . . .
H16A H 0.3336 -0.5879 -0.6041 0.153 Uiso 1 1 calc R . .
H16B H 0.2499 -0.6259 -0.6830 0.153 Uiso 1 1 calc R . .
H16C H 0.2408 -0.6954 -0.6343 0.153 Uiso 1 1 calc R . .
C17 C 0.2985(8) -0.4226(7) -0.6044(5) 0.121(4) Uani 1 1 d . . .
H17A H 0.2950 -0.3695 -0.5883 0.145 Uiso 1 1 calc R . .
H17B H 0.2895 -0.4276 -0.6521 0.145 Uiso 1 1 calc R . .
H17C H 0.3662 -0.4131 -0.5751 0.145 Uiso 1 1 calc R . .
C18 C 0.1102(10) -0.4407(8) -0.5730(5) 0.129(4) Uani 1 1 d . . .
H18A H 0.1764 -0.3808 -0.5560 0.155 Uiso 1 1 calc R . .
H18B H 0.0833 -0.4490 -0.5381 0.155 Uiso 1 1 calc R . .
H18C H 0.0602 -0.4412 -0.6155 0.155 Uiso 1 1 calc R . .
C19 C -0.0453(7) -0.6610(9) -0.5878(6) 0.132(4) Uani 1 1 d . . .
H19A H -0.0533 -0.7110 -0.5646 0.158 Uiso 1 1 calc R . .
H19B H -0.1030 -0.6869 -0.6339 0.158 Uiso 1 1 calc R . .
H19C H -0.0452 -0.6124 -0.5610 0.158 Uiso 1 1 calc R . .
C20 C 0.0471(9) -0.7764(6) -0.6258(5) 0.124(4) Uani 1 1 d . . .
H20A H 0.0146 -0.7991 -0.5947 0.148 Uiso 1 1 calc R . .
H20B H 0.0984 -0.7939 -0.6195 0.148 Uiso 1 1 calc R . .
H20C H -0.0063 -0.8044 -0.6736 0.148 Uiso 1 1 calc R . .
C21 C 0.7934(5) 0.0872(4) 0.1441(3) 0.0531(14) Uani 1 1 d . . .
C22 C 0.7668(5) -0.0095(4) 0.1343(3) 0.0514(14) Uani 1 1 d . . .
C23 C 0.8552(5) -0.0111(4) 0.1320(3) 0.0513(14) Uani 1 1 d . . .
C24 C 0.9333(5) 0.0827(5) 0.1392(3) 0.0555(15) Uani 1 1 d . . .
C25 C 0.8950(5) 0.1439(4) 0.1450(3) 0.0555(15) Uani 1 1 d . . .
C26 C 0.7252(7) 0.1208(6) 0.1531(4) 0.083(2) Uani 1 1 d . . .
H26A H 0.7448 0.1808 0.1417 0.099 Uiso 1 1 calc R . .
H26B H 0.7347 0.1285 0.2010 0.099 Uiso 1 1 calc R . .
H26C H 0.6522 0.0745 0.1224 0.099 Uiso 1 1 calc R . .
C27 C 0.6695(6) -0.0921(5) 0.1330(4) 0.074(2) Uani 1 1 d . . .
H27A H 0.6518 -0.1494 0.1038 0.088 Uiso 1 1 calc R . .
H27B H 0.6119 -0.0817 0.1144 0.088 Uiso 1 1 calc R . .
H27C H 0.6819 -0.0984 0.1799 0.088 Uiso 1 1 calc R . .
C28 C 0.8659(6) -0.0963(5) 0.1301(4) 0.0700(19) Uani 1 1 d . . .
H28A H 0.7969 -0.1533 0.1052 0.084 Uiso 1 1 calc R . .
H28B H 0.8983 -0.0992 0.1773 0.084 Uiso 1 1 calc R . .
H28C H 0.9091 -0.0912 0.1066 0.084 Uiso 1 1 calc R . .
C29 C 1.0396(5) 0.1156(6) 0.1403(4) 0.082(2) Uani 1 1 d . . .
H29A H 1.0630 0.1728 0.1247 0.098 Uiso 1 1 calc R . .
H29B H 1.0340 0.0667 0.1095 0.098 Uiso 1 1 calc R . .
H29C H 1.0899 0.1283 0.1873 0.098 Uiso 1 1 calc R . .
C30 C 0.9574(7) 0.2502(5) 0.1573(4) 0.086(2) Uani 1 1 d . . .
H30A H 0.9102 0.2713 0.1349 0.103 Uiso 1 1 calc R . .
H30B H 1.0080 0.2672 0.1381 0.103 Uiso 1 1 calc R . .
H30C H 0.9940 0.2802 0.2069 0.103 Uiso 1 1 calc R . .
C31 C 0.7063(5) 0.2365(4) -0.1274(3) 0.0564(15) Uani 1 1 d . . .
C32 C 0.7323(5) 0.2062(4) -0.1769(3) 0.0583(16) Uani 1 1 d . . .
C33 C 0.8407(5) 0.2337(4) -0.1440(3) 0.0582(16) Uani 1 1 d . . .
C34 C 0.8840(5) 0.2867(4) -0.0715(3) 0.0578(16) Uani 1 1 d . . .
C35 C 0.8017(5) 0.2874(4) -0.0614(3) 0.0571(16) Uani 1 1 d . . .
C36 C 0.6026(6) 0.2259(5) -0.1397(5) 0.084(2) Uani 1 1 d . . .
H36A H 0.5864 0.2085 -0.1010 0.101 Uiso 1 1 calc R . .
H36B H 0.5478 0.1770 -0.1824 0.101 Uiso 1 1 calc R . .
H36C H 0.6071 0.2853 -0.1437 0.101 Uiso 1 1 calc R . .
C37 C 0.6581(7) 0.1555(5) -0.2542(4) 0.088(3) Uani 1 1 d . . .
H37A H 0.6774 0.1149 -0.2710 0.106 Uiso 1 1 calc R . .
H37B H 0.6634 0.2019 -0.2807 0.106 Uiso 1 1 calc R . .
H37C H 0.5865 0.1175 -0.2597 0.106 Uiso 1 1 calc R . .
C38 C 0.9002(7) 0.2189(6) -0.1778(5) 0.087(2) Uani 1 1 d . . .
H38A H 0.9678 0.2348 -0.1425 0.104 Uiso 1 1 calc R . .
H38B H 0.9107 0.2590 -0.2092 0.104 Uiso 1 1 calc R . .
H38C H 0.8611 0.1532 -0.2039 0.104 Uiso 1 1 calc R . .
C39 C 0.9960(6) 0.3332(5) -0.0199(4) 0.083(2) Uani 1 1 d . . .
H39A H 1.0204 0.2906 -0.0222 0.100 Uiso 1 1 calc R . .
H39B H 1.0020 0.3488 0.0265 0.100 Uiso 1 1 calc R . .
H39C H 1.0382 0.3906 -0.0305 0.100 Uiso 1 1 calc R . .
C40 C 0.8110(7) 0.3371(5) 0.0043(4) 0.082(2) Uani 1 1 d . . .
H40A H 0.7517 0.2959 0.0134 0.099 Uiso 1 1 calc R . .
H40B H 0.8117 0.3947 -0.0017 0.099 Uiso 1 1 calc R . .
H40C H 0.8756 0.3527 0.0432 0.099 Uiso 1 1 calc R . .
C41 C 0.4782(5) -0.4754(4) -0.2820(3) 0.0546(15) Uani 1 1 d . . .
H41 H 0.5073 -0.4929 -0.3070 0.066 Uiso 1 1 calc R . .
C42 C 0.5443(5) -0.3948(4) -0.2272(3) 0.0564(15) Uani 1 1 d . . .
H42 H 0.6162 -0.3589 -0.2162 0.068 Uiso 1 1 calc R . .
C43 C 0.5052(4) -0.3661(4) -0.1880(3) 0.0445(12) Uani 1 1 d . . .
C44 C 0.3972(5) -0.4249(4) -0.2073(3) 0.0553(15) Uani 1 1 d . . .
H44 H 0.3668 -0.4104 -0.1818 0.066 Uiso 1 1 calc R . .
C45 C 0.3353(5) -0.5043(4) -0.2638(3) 0.0569(15) Uani 1 1 d . . .
H45 H 0.2630 -0.5414 -0.2762 0.068 Uiso 1 1 calc R . .
C46 C 0.5707(4) -0.2768(4) -0.1308(3) 0.0419(12) Uani 1 1 d . . .
C47 C 0.6810(5) -0.2278(4) -0.0990(3) 0.0503(14) Uani 1 1 d . . .
H47 H 0.7153 -0.2539 -0.1112 0.060 Uiso 1 1 calc R . .
C48 C 0.7396(5) -0.1411(4) -0.0498(3) 0.0499(14) Uani 1 1 d . . .
H48 H 0.8131 -0.1099 -0.0293 0.060 Uiso 1 1 calc R . .
C49 C 0.5888(4) -0.1480(4) -0.0586(3) 0.0501(14) Uani 1 1 d . . .
H49 H 0.5565 -0.1216 -0.0438 0.060 Uiso 1 1 calc R . .
C50 C 0.5259(4) -0.2339(4) -0.1079(3) 0.0483(13) Uani 1 1 d . . .
H50 H 0.4525 -0.2640 -0.1264 0.058 Uiso 1 1 calc R . .
C51 C 0.4161(5) -0.3729(4) -0.4211(3) 0.0524(14) Uani 1 1 d . . .
H51 H 0.4414 -0.3919 -0.4486 0.063 Uiso 1 1 calc R . .
C52 C 0.4835(5) -0.2865(4) -0.3709(3) 0.0531(14) Uani 1 1 d . . .
H52 H 0.5531 -0.2486 -0.3648 0.064 Uiso 1 1 calc R . .
C53 C 0.4480(4) -0.2557(4) -0.3292(3) 0.0443(12) Uani 1 1 d . . .
C54 C 0.3437(5) -0.3155(4) -0.3426(3) 0.0511(14) Uani 1 1 d . . .
H54 H 0.3154 -0.2978 -0.3170 0.061 Uiso 1 1 calc R . .
C55 C 0.2808(5) -0.4006(4) -0.3933(3) 0.0517(14) Uani 1 1 d . . .
H55 H 0.2106 -0.4392 -0.4010 0.062 Uiso 1 1 calc R . .
C56 C 0.5205(4) -0.1656(4) -0.2722(3) 0.0435(12) Uani 1 1 d . . .
C57 C 0.6294(5) -0.1233(4) -0.2428(3) 0.0539(15) Uani 1 1 d . . .
H57 H 0.6593 -0.1508 -0.2594 0.065 Uiso 1 1 calc R . .
C58 C 0.6938(5) -0.0404(4) -0.1888(3) 0.0504(14) Uani 1 1 d . . .
H58 H 0.7667 -0.0135 -0.1698 0.060 Uiso 1 1 calc R . .
C59 C 0.5510(5) -0.0379(4) -0.1909(3) 0.0531(14) Uani 1 1 d . . .
H59 H 0.5239 -0.0087 -0.1727 0.064 Uiso 1 1 calc R . .
C60 C 0.4808(5) -0.1200(4) -0.2450(3) 0.0516(14) Uani 1 1 d . . .
H60 H 0.4083 -0.1450 -0.2632 0.062 Uiso 1 1 calc R . .
S1 S -0.15053(15) -0.58676(14) -0.76707(12) 0.0738(5) Uani 1 1 d . . .
F1 F -0.1474(6) -0.4376(5) -0.8039(4) 0.141(2) Uani 1 1 d . . .
F2 F 0.0060(5) -0.4140(4) -0.7424(4) 0.152(3) Uani 1 1 d . . .
F3 F -0.0756(6) -0.4901(5) -0.8481(3) 0.140(2) Uani 1 1 d . . .
O1 O -0.2462(5) -0.6469(5) -0.8292(4) 0.123(2) Uani 1 1 d . . .
O2 O -0.0738(5) -0.6141(5) -0.7487(4) 0.1043(19) Uani 1 1 d . . .
O3 O -0.1647(5) -0.5565(4) -0.7091(3) 0.0920(17) Uani 1 1 d . . .
C61 C -0.0888(8) -0.4774(7) -0.7924(5) 0.096(3) Uani 1 1 d . . .
S2 S 0.70964(19) 0.0307(2) 0.33393(14) 0.1005(7) Uani 1 1 d . . .
F4 F 0.7673(12) 0.1142(9) 0.4599(5) 0.281(7) Uani 1 1 d . . .
F5 F 0.6156(12) 0.0836(9) 0.3892(5) 0.241(5) Uani 1 1 d . . .
F6 F 0.6445(9) -0.0177(8) 0.4287(6) 0.204(4) Uani 1 1 d . . .
O4 O 0.6134(6) -0.0352(7) 0.2809(5) 0.179(4) Uani 1 1 d . . .
O5 O 0.7499(7) 0.1211(7) 0.3173(5) 0.172(4) Uani 1 1 d . . .
O6 O 0.7869(9) 0.0076(9) 0.3669(7) 0.213(5) Uani 1 1 d . . .
C62 C 0.6879(16) 0.0616(16) 0.4078(7) 0.156(6) Uani 1 1 d . . .
S3 S 0.26131(16) 0.48088(15) 0.17001(12) 0.0810(6) Uani 1 1 d . . .
F7 F 0.1035(7) 0.5030(7) 0.1241(4) 0.205(4) Uani 1 1 d . . .
F8 F 0.2282(5) 0.6064(3) 0.2163(3) 0.1113(17) Uani 1 1 d . . .
F9 F 0.1302(5) 0.4688(4) 0.2205(4) 0.138(3) Uani 1 1 d . . .
O7 O 0.3006(11) 0.5349(6) 0.1295(7) 0.221(6) Uani 1 1 d . . .
O8 O 0.3367(6) 0.5077(7) 0.2414(5) 0.174(4) Uani 1 1 d . . .
O9 O 0.1973(5) 0.3829(4) 0.1371(4) 0.1040(19) Uani 1 1 d . . .
C63 C 0.1768(7) 0.5154(6) 0.1830(5) 0.085(2) Uani 1 1 d . . .
S4 S 0.16181(18) 0.04789(17) 0.31551(12) 0.0832(6) Uani 1 1 d . . .
F10 F 0.2529(15) 0.0154(13) 0.4276(5) 0.351(10) Uani 1 1 d . . .
F11 F 0.1318(15) -0.1111(10) 0.3393(9) 0.305(9) Uani 1 1 d . . .
F12 F 0.2908(8) -0.0102(7) 0.3467(4) 0.189(4) Uani 1 1 d . . .
O10 O 0.2472(6) 0.1426(5) 0.3383(5) 0.142(3) Uani 1 1 d . . .
O11 O 0.0838(6) 0.0341(6) 0.3389(5) 0.143(3) Uani 1 1 d . . .
O12 O 0.1267(6) -0.0004(6) 0.2457(3) 0.127(3) Uani 1 1 d . . .
C64 C 0.2183(17) -0.0106(14) 0.3630(7) 0.168(7) Uani 1 1 d . . .
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
_geom_angle_publ_flag
C3 Rh1 N13 105.8(2) . . ?
C3 Rh1 N4 109.2(3) . . ?
N13 Rh1 N4 87.79(18) . . ?
C3 Rh1 C1 65.5(3) . . ?
N13 Rh1 C1 112.0(2) . . ?
N4 Rh1 C1 160.2(2) . . ?
C3 Rh1 C5 65.0(3) . . ?
N13 Rh1 C5 151.3(2) . . ?
N4 Rh1 C5 120.8(2) . . ?
C1 Rh1 C5 39.4(3) . . ?
C3 Rh1 C2 38.6(3) . . ?
N13 Rh1 C2 91.0(2) . . ?
N4 Rh1 C2 145.4(3) . . ?
C1 Rh1 C2 38.7(3) . . ?
C5 Rh1 C2 64.7(3) . . ?
C3 Rh1 C4 39.6(3) . . ?
N13 Rh1 C4 145.1(2) . . ?
N4 Rh1 C4 98.6(2) . . ?
C1 Rh1 C4 64.8(3) . . ?
C5 Rh1 C4 37.4(3) . . ?
C2 Rh1 C4 64.6(3) . . ?
C3 Rh1 N1 165.4(2) . . ?
N13 Rh1 N1 88.55(18) . . ?
N4 Rh1 N1 73.41(19) . . ?
C1 Rh1 N1 107.0(3) . . ?
C5 Rh1 N1 101.0(2) . . ?
C2 Rh1 N1 141.2(3) . . ?
C4 Rh1 N1 126.3(2) . . ?
C13 Rh2 N15 96.9(2) . . ?
C13 Rh2 C12 39.2(3) . . ?
N15 Rh2 C12 97.9(2) . . ?
C13 Rh2 C11 64.3(3) . . ?
N15 Rh2 C11 131.8(3) . . ?
C12 Rh2 C11 39.1(3) . . ?
C13 Rh2 C14 38.2(3) . . ?
N15 Rh2 C14 127.8(3) . . ?
C12 Rh2 C14 64.9(3) . . ?
C11 Rh2 C14 63.4(3) . . ?
C13 Rh2 C15 64.4(3) . . ?
N15 Rh2 C15 160.8(2) . . ?
C12 Rh2 C15 65.2(3) . . ?
C11 Rh2 C15 37.9(3) . . ?
C14 Rh2 C15 38.2(3) . . ?
C13 Rh2 N4 124.6(3) . . ?
N15 Rh2 N4 85.28(18) . . ?
C12 Rh2 N4 163.7(3) . . ?
C11 Rh2 N4 142.6(3) . . ?
C14 Rh2 N4 100.5(3) . . ?
C15 Rh2 N4 108.4(3) . . ?
C13 Rh2 N1 162.1(3) . . ?
N15 Rh2 N1 85.44(18) . . ?
C12 Rh2 N1 122.9(3) . . ?
C11 Rh2 N1 100.9(2) . . ?
C14 Rh2 N1 146.2(3) . . ?
C15 Rh2 N1 111.0(2) . . ?
N4 Rh2 N1 73.23(19) . . ?
C22 Rh3 C23 39.3(2) . . ?
C22 Rh3 C25 65.3(2) . . ?
C23 Rh3 C25 64.9(2) . . ?
C22 Rh3 N14 99.2(2) . . ?
C23 Rh3 N14 95.6(2) . . ?
C25 Rh3 N14 160.5(2) . . ?
C22 Rh3 C21 38.8(2) . . ?
C23 Rh3 C21 64.9(2) . . ?
C25 Rh3 C21 38.5(2) . . ?
N14 Rh3 C21 133.5(2) . . ?
C22 Rh3 C24 64.8(2) . . ?
C23 Rh3 C24 38.1(2) . . ?
C25 Rh3 C24 38.7(2) . . ?
N14 Rh3 C24 125.2(2) . . ?
C21 Rh3 C24 64.3(2) . . ?
C22 Rh3 N7 165.0(2) . . ?
C23 Rh3 N7 126.4(2) . . ?
C25 Rh3 N7 106.6(2) . . ?
N14 Rh3 N7 85.67(17) . . ?
C21 Rh3 N7 140.4(2) . . ?
C24 Rh3 N7 100.7(2) . . ?
C22 Rh3 N10 120.5(2) . . ?
C23 Rh3 N10 159.8(2) . . ?
C25 Rh3 N10 109.9(2) . . ?
N14 Rh3 N10 87.92(17) . . ?
C21 Rh3 N10 98.5(2) . . ?
C24 Rh3 N10 146.3(2) . . ?
N7 Rh3 N10 73.60(17) . . ?
N16 Rh4 C33 106.9(2) . . ?
N16 Rh4 C32 91.5(2) . . ?
C33 Rh4 C32 38.9(3) . . ?
N16 Rh4 C31 111.7(2) . . ?
C33 Rh4 C31 65.2(3) . . ?
C32 Rh4 C31 38.1(2) . . ?
N16 Rh4 N7 88.34(18) . . ?
C33 Rh4 N7 109.3(2) . . ?
C32 Rh4 N7 146.0(2) . . ?
C31 Rh4 N7 159.9(2) . . ?
N16 Rh4 C35 151.1(2) . . ?
C33 Rh4 C35 65.2(2) . . ?
C32 Rh4 C35 64.7(2) . . ?
C31 Rh4 C35 39.4(2) . . ?
N7 Rh4 C35 120.5(2) . . ?
N16 Rh4 C34 146.2(2) . . ?
C33 Rh4 C34 39.7(2) . . ?
C32 Rh4 C34 65.0(2) . . ?
C31 Rh4 C34 65.0(3) . . ?
N7 Rh4 C34 98.1(2) . . ?
C35 Rh4 C34 37.9(2) . . ?
N16 Rh4 N10 86.18(17) . . ?
C33 Rh4 N10 166.4(2) . . ?
C32 Rh4 N10 140.2(2) . . ?
C31 Rh4 N10 107.2(2) . . ?
N7 Rh4 N10 73.80(17) . . ?
C35 Rh4 N10 101.6(2) . . ?
C34 Rh4 N10 127.6(2) . . ?
N2 N1 Rh2 126.1(4) . . ?
N2 N1 Rh1 124.2(4) . . ?
Rh2 N1 Rh1 105.8(2) . . ?
N3 N2 N1 177.3(10) . . ?
N5 N4 Rh1 123.0(4) . . ?
N5 N4 Rh2 126.7(4) . . ?
Rh1 N4 Rh2 107.3(2) . . ?
N6 N5 N4 178.2(8) . . ?
N8 N7 Rh4 126.6(4) . . ?
N8 N7 Rh3 125.8(4) . . ?
Rh4 N7 Rh3 106.3(2) . . ?
N9 N8 N7 179.3(9) . . ?
N11 N10 Rh4 122.3(4) . . ?
N11 N10 Rh3 127.8(4) . . ?
Rh4 N10 Rh3 106.0(2) . . ?
N12 N11 N10 178.1(7) . . ?
C45 N13 C41 116.6(5) . . ?
C45 N13 Rh1 119.1(4) . . ?
C41 N13 Rh1 123.3(4) . . ?
C49 N14 C48 117.8(5) . . ?
C49 N14 Rh3 121.3(4) . . ?
C48 N14 Rh3 120.9(4) . . ?
C55 N15 C51 117.5(5) . . ?
C55 N15 Rh2 121.6(4) . . ?
C51 N15 Rh2 120.9(4) . . ?
C58 N16 C59 117.4(5) . . ?
C58 N16 Rh4 121.8(4) . . ?
C59 N16 Rh4 120.0(4) . . ?
C2 C1 C5 106.5(7) . . ?
C2 C1 C6 126.3(7) . . ?
C5 C1 C6 127.0(8) . . ?
C2 C1 Rh1 71.0(4) . . ?
C5 C1 Rh1 70.6(4) . . ?
C6 C1 Rh1 127.1(6) . . ?
C3 C2 C1 108.9(6) . . ?
C3 C2 C7 126.0(8) . . ?
C1 C2 C7 125.2(8) . . ?
C3 C2 Rh1 69.3(4) . . ?
C1 C2 Rh1 70.3(4) . . ?
C7 C2 Rh1 126.2(5) . . ?
C2 C3 C4 107.4(7) . . ?
C2 C3 C8 126.8(7) . . ?
C4 C3 C8 125.5(8) . . ?
C2 C3 Rh1 72.1(4) . . ?
C4 C3 Rh1 72.0(4) . . ?
C8 C3 Rh1 126.9(5) . . ?
C5 C4 C3 107.9(6) . . ?
C5 C4 C9 127.3(7) . . ?
C3 C4 C9 124.8(7) . . ?
C5 C4 Rh1 70.7(4) . . ?
C3 C4 Rh1 68.4(4) . . ?
C9 C4 Rh1 127.7(5) . . ?
C4 C5 C1 109.2(6) . . ?
C4 C5 C10 126.5(7) . . ?
C1 C5 C10 124.2(7) . . ?
C4 C5 Rh1 71.9(4) . . ?
C1 C5 Rh1 70.1(3) . . ?
C10 C5 Rh1 127.5(5) . . ?
C15 C11 C12 109.7(7) . . ?
C15 C11 C16 126.4(9) . . ?
C12 C11 C16 123.8(9) . . ?
C15 C11 Rh2 71.2(4) . . ?
C12 C11 Rh2 70.1(4) . . ?
C16 C11 Rh2 126.8(5) . . ?
C13 C12 C11 105.3(7) . . ?
C13 C12 C17 126.0(8) . . ?
C11 C12 C17 128.5(9) . . ?
C13 C12 Rh2 70.0(4) . . ?
C11 C12 Rh2 70.8(4) . . ?
C17 C12 Rh2 127.8(5) . . ?
C14 C13 C12 108.7(7) . . ?
C14 C13 C18 126.2(9) . . ?
C12 C13 C18 125.1(9) . . ?
C14 C13 Rh2 71.7(4) . . ?
C12 C13 Rh2 70.8(4) . . ?
C18 C13 Rh2 125.5(5) . . ?
C13 C14 C15 108.8(7) . . ?
C13 C14 C19 126.4(9) . . ?
C15 C14 C19 124.8(9) . . ?
C13 C14 Rh2 70.1(4) . . ?
C15 C14 Rh2 70.9(4) . . ?
C19 C14 Rh2 126.6(6) . . ?
C11 C15 C14 107.5(7) . . ?
C11 C15 C20 127.1(8) . . ?
C14 C15 C20 125.0(9) . . ?
C11 C15 Rh2 70.9(4) . . ?
C14 C15 Rh2 70.9(4) . . ?
C20 C15 Rh2 128.9(6) . . ?
C25 C21 C22 108.2(5) . . ?
C25 C21 C26 127.2(6) . . ?
C22 C21 C26 124.6(6) . . ?
C25 C21 Rh3 70.4(3) . . ?
C22 C21 Rh3 69.4(3) . . ?
C26 C21 Rh3 126.8(5) . . ?
C21 C22 C23 107.4(5) . . ?
C21 C22 C27 126.1(6) . . ?
C23 C22 C27 126.2(6) . . ?
C21 C22 Rh3 71.8(3) . . ?
C23 C22 Rh3 70.8(3) . . ?
C27 C22 Rh3 126.8(4) . . ?
C24 C23 C22 108.0(5) . . ?
C24 C23 C28 126.4(6) . . ?
C22 C23 C28 125.3(6) . . ?
C24 C23 Rh3 71.7(3) . . ?
C22 C23 Rh3 69.9(3) . . ?
C28 C23 Rh3 128.8(4) . . ?
C23 C24 C25 108.7(5) . . ?
C23 C24 C29 127.0(6) . . ?
C25 C24 C29 124.4(6) . . ?
C23 C24 Rh3 70.1(3) . . ?
C25 C24 Rh3 70.2(3) . . ?
C29 C24 Rh3 125.2(4) . . ?
C21 C25 C24 107.6(5) . . ?
C21 C25 C30 127.2(7) . . ?
C24 C25 C30 124.9(6) . . ?
C21 C25 Rh3 71.1(3) . . ?
C24 C25 Rh3 71.1(3) . . ?
C30 C25 Rh3 128.0(5) . . ?
C32 C31 C35 107.5(6) . . ?
C32 C31 C36 127.5(6) . . ?
C35 C31 C36 124.9(6) . . ?
C32 C31 Rh4 70.8(3) . . ?
C35 C31 Rh4 70.7(3) . . ?
C36 C31 Rh4 127.1(5) . . ?
C31 C32 C33 109.4(5) . . ?
C31 C32 C37 125.5(7) . . ?
C33 C32 C37 125.1(7) . . ?
C31 C32 Rh4 71.1(3) . . ?
C33 C32 Rh4 70.0(3) . . ?
C37 C32 Rh4 127.0(4) . . ?
C32 C33 C34 106.9(6) . . ?
C32 C33 C38 126.7(6) . . ?
C34 C33 C38 126.2(7) . . ?
C32 C33 Rh4 71.1(3) . . ?
C34 C33 Rh4 71.3(3) . . ?
C38 C33 Rh4 126.5(5) . . ?
C35 C34 C33 107.8(6) . . ?
C35 C34 C39 127.4(6) . . ?
C33 C34 C39 124.8(7) . . ?
C35 C34 Rh4 71.0(3) . . ?
C33 C34 Rh4 69.1(3) . . ?
C39 C34 Rh4 127.0(5) . . ?
C34 C35 C31 108.3(6) . . ?
C34 C35 C40 126.4(6) . . ?
C31 C35 C40 125.2(7) . . ?
C34 C35 Rh4 71.1(3) . . ?
C31 C35 Rh4 69.9(3) . . ?
C40 C35 Rh4 127.6(5) . . ?
N13 C41 C42 123.6(5) . . ?
C41 C42 C43 120.5(6) . . ?
C42 C43 C44 115.9(5) . . ?
C42 C43 C46 123.4(5) . . ?
C44 C43 C46 120.7(5) . . ?
C45 C44 C43 120.4(5) . . ?
N13 C45 C44 123.0(6) . . ?
C47 C46 C50 115.9(5) . . ?
C47 C46 C43 122.2(5) . . ?
C50 C46 C43 121.8(5) . . ?
C48 C47 C46 120.6(5) . . ?
N14 C48 C47 122.2(5) . . ?
N14 C49 C50 123.1(5) . . ?
C49 C50 C46 120.4(5) . . ?
N15 C51 C52 122.2(5) . . ?
C51 C52 C53 120.4(6) . . ?
C54 C53 C52 115.9(5) . . ?
C54 C53 C56 122.7(5) . . ?
C52 C53 C56 121.4(5) . . ?
C55 C54 C53 120.9(5) . . ?
N15 C55 C54 123.2(5) . . ?
C57 C56 C60 117.0(5) . . ?
C57 C56 C53 122.1(5) . . ?
C60 C56 C53 120.9(5) . . ?
C58 C57 C56 120.1(5) . . ?
N16 C58 C57 123.1(5) . . ?
N16 C59 C60 123.5(5) . . ?
C59 C60 C56 118.9(5) . . ?
O1 S1 O3 114.7(4) . . ?
O1 S1 O2 116.0(4) . . ?
O3 S1 O2 114.6(4) . . ?
O1 S1 C61 102.4(5) . . ?
O3 S1 C61 102.9(4) . . ?
O2 S1 C61 103.6(5) . . ?
F3 C61 F2 106.2(9) . . ?
F3 C61 F1 108.3(9) . . ?
F2 C61 F1 107.1(9) . . ?
F3 C61 S1 113.2(7) . . ?
F2 C61 S1 111.4(7) . . ?
F1 C61 S1 110.3(7) . . ?
O4 S2 O6 121.3(8) . . ?
O4 S2 O5 109.9(6) . . ?
O6 S2 O5 114.6(6) . . ?
O4 S2 C62 107.8(8) . . ?
O6 S2 C62 100.9(7) . . ?
O5 S2 C62 99.3(8) . . ?
F4 C62 F5 116.1(18) . . ?
F4 C62 F6 101.8(12) . . ?
F5 C62 F6 103.2(16) . . ?
F4 C62 S2 114.4(15) . . ?
F5 C62 S2 112.0(9) . . ?
F6 C62 S2 107.7(13) . . ?
O7 S3 O9 113.7(5) . . ?
O7 S3 O8 114.4(8) . . ?
O9 S3 O8 115.7(6) . . ?
O7 S3 C63 105.0(6) . . ?
O9 S3 C63 106.3(4) . . ?
O8 S3 C63 99.7(4) . . ?
F7 C63 F9 107.3(9) . . ?
F7 C63 F8 106.0(7) . . ?
F9 C63 F8 105.2(8) . . ?
F7 C63 S3 111.7(7) . . ?
F9 C63 S3 113.4(6) . . ?
F8 C63 S3 112.7(6) . . ?
O10 S4 O12 115.3(5) . . ?
O10 S4 O11 113.4(5) . . ?
O12 S4 O11 117.8(5) . . ?
O10 S4 C64 103.0(8) . . ?
O12 S4 C64 101.3(5) . . ?
O11 S4 C64 103.0(7) . . ?
F10 C64 F12 110.1(16) . . ?
F10 C64 F11 107.6(16) . . ?
F12 C64 F11 105.1(11) . . ?
F10 C64 S4 115.4(10) . . ?
F12 C64 S4 113.0(10) . . ?
F11 C64 S4 104.8(13) . . ?
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 C3 2.118(7) . ?
Rh1 N13 2.129(4) . ?
Rh1 N4 2.135(5) . ?
Rh1 C1 2.144(6) . ?
Rh1 C5 2.151(6) . ?
Rh1 C2 2.154(7) . ?
Rh1 C4 2.166(6) . ?
Rh1 N1 2.177(5) . ?
Rh2 C13 2.136(6) . ?
Rh2 N15 2.145(4) . ?
Rh2 C12 2.146(7) . ?
Rh2 C11 2.155(7) . ?
Rh2 C14 2.157(7) . ?
Rh2 C15 2.158(6) . ?
Rh2 N4 2.160(5) . ?
Rh2 N1 2.162(5) . ?
Rh3 C22 2.130(5) . ?
Rh3 C23 2.142(6) . ?
Rh3 C25 2.152(5) . ?
Rh3 N14 2.157(4) . ?
Rh3 C21 2.162(5) . ?
Rh3 C24 2.163(6) . ?
Rh3 N7 2.168(5) . ?
Rh3 N10 2.169(5) . ?
Rh4 N16 2.121(4) . ?
Rh4 C33 2.134(6) . ?
Rh4 C32 2.147(6) . ?
Rh4 C31 2.152(6) . ?
Rh4 N7 2.160(5) . ?
Rh4 C35 2.161(6) . ?
Rh4 C34 2.164(6) . ?
Rh4 N10 2.167(5) . ?
N1 N2 1.201(7) . ?
N2 N3 1.147(9) . ?
N4 N5 1.209(8) . ?
N5 N6 1.162(8) . ?
N7 N8 1.180(7) . ?
N8 N9 1.137(8) . ?
N10 N11 1.210(7) . ?
N11 N12 1.139(8) . ?
N13 C45 1.334(7) . ?
N13 C41 1.336(7) . ?
N14 C49 1.331(7) . ?
N14 C48 1.339(7) . ?
N15 C55 1.320(7) . ?
N15 C51 1.343(7) . ?
N16 C58 1.323(7) . ?
N16 C59 1.343(7) . ?
C1 C2 1.426(11) . ?
C1 C5 1.448(10) . ?
C1 C6 1.481(11) . ?
C2 C3 1.411(11) . ?
C2 C7 1.530(10) . ?
C3 C4 1.454(9) . ?
C3 C8 1.496(11) . ?
C4 C5 1.385(10) . ?
C4 C9 1.499(10) . ?
C5 C10 1.482(10) . ?
C11 C15 1.400(11) . ?
C11 C12 1.438(10) . ?
C11 C16 1.493(11) . ?
C12 C13 1.437(11) . ?
C12 C17 1.479(11) . ?
C13 C14 1.404(11) . ?
C13 C18 1.516(10) . ?
C14 C15 1.410(11) . ?
C14 C19 1.517(12) . ?
C15 C20 1.488(11) . ?
C21 C25 1.423(9) . ?
C21 C22 1.427(8) . ?
C21 C26 1.496(9) . ?
C22 C23 1.438(9) . ?
C22 C27 1.488(8) . ?
C23 C24 1.407(8) . ?
C23 C28 1.496(8) . ?
C24 C25 1.428(9) . ?
C24 C29 1.501(9) . ?
C25 C30 1.499(9) . ?
C31 C32 1.403(9) . ?
C31 C35 1.454(9) . ?
C31 C36 1.495(10) . ?
C32 C33 1.425(9) . ?
C32 C37 1.520(9) . ?
C33 C34 1.458(8) . ?
C33 C38 1.469(10) . ?
C34 C35 1.405(9) . ?
C34 C39 1.476(9) . ?
C35 C40 1.500(9) . ?
C41 C42 1.366(8) . ?
C42 C43 1.382(8) . ?
C43 C44 1.390(8) . ?
C43 C46 1.479(7) . ?
C44 C45 1.376(8) . ?
C46 C47 1.392(8) . ?
C46 C50 1.393(7) . ?
C47 C48 1.376(8) . ?
C49 C50 1.364(7) . ?
C51 C52 1.376(8) . ?
C52 C53 1.393(8) . ?
C53 C54 1.374(8) . ?
C53 C56 1.481(7) . ?
C54 C55 1.369(7) . ?
C56 C57 1.383(8) . ?
C56 C60 1.403(8) . ?
C57 C58 1.379(8) . ?
C59 C60 1.374(8) . ?
S1 O1 1.425(6) . ?
S1 O3 1.429(5) . ?
S1 O2 1.432(6) . ?
S1 C61 1.815(10) . ?
F1 C61 1.342(11) . ?
F2 C61 1.318(11) . ?
F3 C61 1.292(10) . ?
S2 O4 1.362(7) . ?
S2 O6 1.414(9) . ?
S2 O5 1.437(8) . ?
S2 C62 1.814(14) . ?
F4 C62 1.195(18) . ?
F5 C62 1.304(15) . ?
F6 C62 1.342(19) . ?
S3 O7 1.358(8) . ?
S3 O9 1.399(6) . ?
S3 O8 1.430(8) . ?
S3 C63 1.786(9) . ?
F7 C63 1.288(9) . ?
F8 C63 1.319(8) . ?
F9 C63 1.306(11) . ?
S4 O10 1.401(7) . ?
S4 O12 1.412(7) . ?
S4 O11 1.420(7) . ?
S4 C64 1.740(15) . ?
F10 C64 1.237(14) . ?
F11 C64 1.47(2) . ?
F12 C64 1.314(16) . ?
