#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:27:38 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179845 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/41/7014160.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_7014160
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            'C68 H80 F12 N8 O18 Rh4 S4'
_chemical_formula_weight         2065.28
_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                92.647(4)
_cell_angle_beta                 111.143(4)
_cell_angle_gamma                118.384(3)
_cell_formula_units_Z            2
_cell_length_a                   15.922(2)
_cell_length_b                   16.463(2)
_cell_length_c                   21.070(5)
_cell_measurement_temperature    293(2)
_cell_volume                     4369.6(13)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker 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 0.897
_diffrn_measured_fraction_theta_max 0.897
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0487
_diffrn_reflns_av_sigmaI/netI    0.1625
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            27409
_diffrn_reflns_theta_full        28.43
_diffrn_reflns_theta_max         28.43
_diffrn_reflns_theta_min         1.50
_exptl_absorpt_coefficient_mu    0.928
_exptl_absorpt_correction_T_max  0.9129
_exptl_absorpt_correction_T_min  0.7555
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.570
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2080
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.278
_refine_diff_density_min         -1.031
_refine_diff_density_rms         0.136
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.896
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1047
_refine_ls_number_reflns         19748
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.896
_refine_ls_R_factor_all          0.1839
_refine_ls_R_factor_gt           0.0713
_refine_ls_shift/su_max          0.062
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0948P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1617
_refine_ls_wR_factor_ref         0.2107
_reflns_number_gt                7747
_reflns_number_total             19748
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b402201g.txt
_cod_data_source_block           comp4c
_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_sg_symbol_H-M      'P-1   '
_cod_database_code               7014160
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 0.79028(5) 0.03742(5) 0.04611(4) 0.03958(19) Uani 1 1 d . . .
Rh2 Rh 0.75626(5) 0.14034(5) -0.09025(4) 0.0424(2) Uani 1 1 d . . .
Rh3 Rh 0.27574(6) -0.66677(5) -0.37732(4) 0.0477(2) Uani 1 1 d . . .
Rh4 Rh 0.21331(6) -0.56573(5) -0.51066(4) 0.0472(2) Uani 1 1 d . . .
O1 O 1.0122(6) 0.1124(7) -0.0280(4) 0.105(3) Uani 1 1 d . . .
O2 O 0.5524(6) 0.1022(6) -0.0113(4) 0.094(3) Uani 1 1 d . . .
O3 O 0.4580(7) -0.6069(8) -0.4831(5) 0.125(4) Uani 1 1 d . . .
O4 O 0.0100(7) -0.6707(7) -0.4153(5) 0.108(3) Uani 1 1 d . . .
O17 O 0.1236(9) -0.9715(9) -0.2861(6) 0.164(4) Uani 1 1 d . . .
O18 O 0.342(2) -0.5555(19) -0.0480(13) 0.50(2) Uani 1 1 d . . .
N1 N 0.8572(6) 0.0926(5) -0.0279(4) 0.0480(19) Uani 1 1 d . . .
N2 N 0.6834(6) 0.0787(5) -0.0197(4) 0.0492(19) Uani 1 1 d . . .
N3 N 0.3303(6) -0.6011(5) -0.4541(4) 0.055(2) Uani 1 1 d . . .
N4 N 0.1648(6) -0.6246(5) -0.4315(4) 0.054(2) Uani 1 1 d . . .
N5 N 0.6952(5) -0.1004(5) -0.0300(4) 0.0442(18) Uani 1 1 d . . .
N6 N 0.3749(6) -0.5292(5) -0.3032(4) 0.0473(18) Uani 1 1 d . . .
N7 N 0.6538(6) 0.0024(5) -0.1612(4) 0.0466(18) Uani 1 1 d . . .
N8 N 0.3160(6) -0.4305(5) -0.4327(4) 0.0502(19) Uani 1 1 d . . .
C1 C 0.8568(7) -0.0107(7) 0.1335(5) 0.054(2) Uani 1 1 d . . .
C2 C 0.7678(8) -0.0087(7) 0.1345(5) 0.051(2) Uani 1 1 d . . .
C3 C 0.7952(8) 0.0889(7) 0.1445(5) 0.055(3) Uani 1 1 d . . .
C4 C 0.8958(8) 0.1453(7) 0.1445(4) 0.051(2) Uani 1 1 d . . .
C5 C 0.9357(6) 0.0841(7) 0.1397(4) 0.049(2) Uani 1 1 d . . .
C6 C 0.8680(9) -0.0950(7) 0.1301(6) 0.073(3) Uani 1 1 d . . .
H6A H 0.8033 -0.1492 0.0950 0.109 Uiso 1 1 calc R . .
H6B H 0.8830 -0.1089 0.1752 0.109 Uiso 1 1 calc R . .
H6C H 0.9251 -0.0813 0.1180 0.109 Uiso 1 1 calc R . .
C7 C 0.6716(7) -0.0918(7) 0.1329(5) 0.064(3) Uani 1 1 d . . .
H7A H 0.6582 -0.1494 0.1068 0.096 Uiso 1 1 calc R . .
H7B H 0.6122 -0.0846 0.1106 0.096 Uiso 1 1 calc R . .
H7C H 0.6821 -0.0953 0.1803 0.096 Uiso 1 1 calc R . .
C8 C 0.7264(9) 0.1228(8) 0.1527(6) 0.080(3) Uani 1 1 d . . .
H8A H 0.6537 0.0775 0.1205 0.120 Uiso 1 1 calc R . .
H8B H 0.7477 0.1840 0.1426 0.120 Uiso 1 1 calc R . .
H8C H 0.7337 0.1286 0.2002 0.120 Uiso 1 1 calc R . .
C9 C 0.9561(9) 0.2517(7) 0.1571(6) 0.082(3) Uani 1 1 d . . .
H9A H 1.0199 0.2720 0.1517 0.122 Uiso 1 1 calc R . .
H9B H 0.9739 0.2815 0.2042 0.122 Uiso 1 1 calc R . .
H9C H 0.9132 0.2700 0.1237 0.122 Uiso 1 1 calc R . .
C10 C 1.0421(7) 0.1169(8) 0.1405(5) 0.077(3) Uani 1 1 d . . .
H10A H 1.0655 0.1745 0.1252 0.116 Uiso 1 1 calc R . .
H10B H 1.0360 0.0680 0.1093 0.116 Uiso 1 1 calc R . .
H10C H 1.0926 0.1292 0.1876 0.116 Uiso 1 1 calc R . .
C11 C 0.8000(8) 0.2880(6) -0.0599(5) 0.054(2) Uani 1 1 d . . .
C12 C 0.7041(8) 0.2360(6) -0.1254(5) 0.057(3) Uani 1 1 d . . .
C13 C 0.7284(8) 0.2048(6) -0.1784(5) 0.054(2) Uani 1 1 d . . .
C14 C 0.8397(8) 0.2332(6) -0.1417(5) 0.056(3) Uani 1 1 d . . .
C15 C 0.8806(8) 0.2868(6) -0.0705(5) 0.057(3) Uani 1 1 d . . .
C16 C 0.8064(10) 0.3372(7) 0.0055(6) 0.082(4) Uani 1 1 d . . .
H16A H 0.7525 0.2921 0.0175 0.123 Uiso 1 1 calc R . .
H16B H 0.7959 0.3891 -0.0034 0.123 Uiso 1 1 calc R . .
H16C H 0.8749 0.3616 0.0438 0.123 Uiso 1 1 calc R . .
C17 C 0.5984(8) 0.2250(7) -0.1388(6) 0.076(3) Uani 1 1 d . . .
H17A H 0.5854 0.2143 -0.0979 0.113 Uiso 1 1 calc R . .
H17B H 0.5428 0.1716 -0.1788 0.113 Uiso 1 1 calc R . .
H17C H 0.6003 0.2823 -0.1479 0.113 Uiso 1 1 calc R . .
C18 C 0.6569(9) 0.1517(8) -0.2527(5) 0.080(3) Uani 1 1 d . . .
H18A H 0.6612 0.0968 -0.2631 0.121 Uiso 1 1 calc R . .
H18B H 0.6772 0.1923 -0.2823 0.121 Uiso 1 1 calc R . .
H18C H 0.5854 0.1311 -0.2612 0.121 Uiso 1 1 calc R . .
C19 C 0.9015(9) 0.2192(8) -0.1750(6) 0.088(4) Uani 1 1 d . . .
H19A H 0.8595 0.1557 -0.2059 0.132 Uiso 1 1 calc R . .
H19B H 0.9650 0.2276 -0.1389 0.132 Uiso 1 1 calc R . .
H19C H 0.9199 0.2652 -0.2016 0.132 Uiso 1 1 calc R . .
C20 C 0.9952(8) 0.3333(7) -0.0173(6) 0.081(3) Uani 1 1 d . . .
H20A H 1.0213 0.2931 -0.0236 0.121 Uiso 1 1 calc R . .
H20B H 1.0002 0.3418 0.0295 0.121 Uiso 1 1 calc R . .
H20C H 1.0368 0.3945 -0.0241 0.121 Uiso 1 1 calc R . .
C21 C 0.3191(9) -0.7334(7) -0.2946(6) 0.067(3) Uani 1 1 d . . .
C22 C 0.2094(10) -0.7644(7) -0.3221(6) 0.071(3) Uani 1 1 d . . .
C23 C 0.1580(8) -0.8164(6) -0.3962(6) 0.064(3) Uani 1 1 d . . .
C24 C 0.2386(9) -0.8091(7) -0.4135(6) 0.067(3) Uani 1 1 d . . .
C25 C 0.3398(9) -0.7560(8) -0.3521(6) 0.070(3) Uani 1 1 d . . .
C26 C 0.3995(10) -0.6847(8) -0.2206(6) 0.091(4) Uani 1 1 d . . .
H26A H 0.4674 -0.6424 -0.2196 0.137 Uiso 1 1 calc R . .
H26B H 0.4028 -0.7316 -0.1961 0.137 Uiso 1 1 calc R . .
H26C H 0.3804 -0.6485 -0.1981 0.137 Uiso 1 1 calc R . .
C27 C 0.1505(11) -0.7589(9) -0.2815(7) 0.102(4) Uani 1 1 d . . .
H27A H 0.0848 -0.8190 -0.2965 0.153 Uiso 1 1 calc R . .
H27B H 0.1362 -0.7090 -0.2902 0.153 Uiso 1 1 calc R . .
H27C H 0.1929 -0.7452 -0.2320 0.153 Uiso 1 1 calc R . .
C28 C 0.0432(8) -0.8689(8) -0.4443(6) 0.088(4) Uani 1 1 d . . .
H28A H 0.0113 -0.8382 -0.4312 0.132 Uiso 1 1 calc R . .
H28B H 0.0102 -0.9337 -0.4410 0.132 Uiso 1 1 calc R . .
H28C H 0.0337 -0.8687 -0.4920 0.132 Uiso 1 1 calc R . .
C29 C 0.2222(10) -0.8530(8) -0.4847(6) 0.098(4) Uani 1 1 d . . .
H29A H 0.2741 -0.8066 -0.4976 0.148 Uiso 1 1 calc R . .
H29B H 0.1524 -0.8730 -0.5193 0.148 Uiso 1 1 calc R . .
H29C H 0.2297 -0.9075 -0.4823 0.148 Uiso 1 1 calc R . .
C30 C 0.4470(10) -0.7354(9) -0.3435(7) 0.093(4) Uani 1 1 d . . .
H30A H 0.4508 -0.7321 -0.3878 0.140 Uiso 1 1 calc R . .
H30B H 0.4568 -0.7856 -0.3283 0.140 Uiso 1 1 calc R . .
H30C H 0.5016 -0.6754 -0.3089 0.140 Uiso 1 1 calc R . .
C31 C 0.2110(9) -0.5102(7) -0.6006(6) 0.067(3) Uani 1 1 d . . .
C32 C 0.1263(10) -0.5220(9) -0.5870(5) 0.073(3) Uani 1 1 d . . .
C33 C 0.0575(9) -0.6189(10) -0.5943(5) 0.078(3) Uani 1 1 d . . .
C34 C 0.1000(10) -0.6703(8) -0.6107(6) 0.074(3) Uani 1 1 d . . .
C35 C 0.1940(10) -0.6037(10) -0.6163(5) 0.074(3) Uani 1 1 d . . .
C36 C 0.2970(11) -0.4269(10) -0.6058(7) 0.128(6) Uani 1 1 d . . .
H36A H 0.3618 -0.4255 -0.5821 0.192 Uiso 1 1 calc R . .
H36B H 0.3041 -0.3699 -0.5843 0.192 Uiso 1 1 calc R . .
H36C H 0.2818 -0.4301 -0.6546 0.192 Uiso 1 1 calc R . .
C37 C 0.1102(12) -0.4404(10) -0.5717(7) 0.126(6) Uani 1 1 d . . .
H37A H 0.1730 -0.3804 -0.5631 0.189 Uiso 1 1 calc R . .
H37B H 0.0965 -0.4419 -0.5308 0.189 Uiso 1 1 calc R . .
H37C H 0.0511 -0.4475 -0.6115 0.189 Uiso 1 1 calc R . .
C38 C -0.0447(9) -0.6573(11) -0.5863(7) 0.125(6) Uani 1 1 d . . .
H38A H -0.0494 -0.7012 -0.5574 0.187 Uiso 1 1 calc R . .
H38B H -0.1041 -0.6899 -0.6320 0.187 Uiso 1 1 calc R . .
H38C H -0.0452 -0.6051 -0.5646 0.187 Uiso 1 1 calc R . .
C39 C 0.0433(11) -0.7790(8) -0.6282(7) 0.117(5) Uani 1 1 d . . .
H39A H 0.0939 -0.7978 -0.6211 0.175 Uiso 1 1 calc R . .
H39B H -0.0088 -0.8059 -0.6765 0.175 Uiso 1 1 calc R . .
H39C H 0.0092 -0.8019 -0.5979 0.175 Uiso 1 1 calc R . .
C40 C 0.2600(11) -0.6322(11) -0.6377(6) 0.116(5) Uani 1 1 d . . .
H40A H 0.3339 -0.5840 -0.6114 0.175 Uiso 1 1 calc R . .
H40B H 0.2402 -0.6384 -0.6873 0.175 Uiso 1 1 calc R . .
H40C H 0.2476 -0.6923 -0.6280 0.175 Uiso 1 1 calc R . .
C41 C 0.7394(7) -0.1409(6) -0.0501(5) 0.046(2) Uani 1 1 d . . .
H41 H 0.8130 -0.1086 -0.0303 0.056 Uiso 1 1 calc R . .
C42 C 0.6817(7) -0.2285(6) -0.0989(5) 0.047(2) Uani 1 1 d . . .
H42 H 0.7160 -0.2552 -0.1104 0.056 Uiso 1 1 calc R . .
C43 C 0.5716(7) -0.2766(6) -0.1305(4) 0.041(2) Uani 1 1 d . . .
C44 C 0.5250(7) -0.2349(6) -0.1087(5) 0.046(2) Uani 1 1 d . . .
H44 H 0.4516 -0.2650 -0.1280 0.056 Uiso 1 1 calc R . .
C45 C 0.5894(7) -0.1475(6) -0.0577(5) 0.044(2) Uani 1 1 d . . .
H45 H 0.5578 -0.1210 -0.0423 0.053 Uiso 1 1 calc R . .
C46 C 0.5049(7) -0.3664(6) -0.1874(5) 0.044(2) Uani 1 1 d . . .
C47 C 0.5445(8) -0.3961(7) -0.2283(5) 0.058(3) Uani 1 1 d . . .
H47 H 0.6165 -0.3603 -0.2169 0.069 Uiso 1 1 calc R . .
C48 C 0.4797(7) -0.4750(7) -0.2830(5) 0.053(2) Uani 1 1 d . . .
H48 H 0.5088 -0.4926 -0.3079 0.063 Uiso 1 1 calc R . .
C49 C 0.3373(7) -0.5023(6) -0.2638(5) 0.055(3) Uani 1 1 d . . .
H49 H 0.2651 -0.5399 -0.2759 0.065 Uiso 1 1 calc R . .
C50 C 0.3975(7) -0.4241(6) -0.2077(5) 0.053(2) Uani 1 1 d . . .
H50 H 0.3664 -0.4095 -0.1829 0.063 Uiso 1 1 calc R . .
C51 C 0.6897(7) -0.0418(6) -0.1884(5) 0.048(2) Uani 1 1 d . . .
H51 H 0.7625 -0.0158 -0.1686 0.058 Uiso 1 1 calc R . .
C52 C 0.6265(7) -0.1231(6) -0.2436(5) 0.050(2) Uani 1 1 d . . .
H52 H 0.6564 -0.1496 -0.2612 0.061 Uiso 1 1 calc R . .
C53 C 0.5192(7) -0.1644(6) -0.2723(5) 0.045(2) Uani 1 1 d . . .
C54 C 0.4799(7) -0.1203(6) -0.2443(5) 0.052(2) Uani 1 1 d . . .
H54 H 0.4072 -0.1462 -0.2623 0.063 Uiso 1 1 calc R . .
C55 C 0.5489(7) -0.0384(6) -0.1900(5) 0.048(2) Uani 1 1 d . . .
H55 H 0.5209 -0.0097 -0.1723 0.058 Uiso 1 1 calc R . .
C56 C 0.4480(7) -0.2547(6) -0.3296(4) 0.044(2) Uani 1 1 d . . .
C57 C 0.4813(7) -0.2868(6) -0.3718(5) 0.053(2) Uani 1 1 d . . .
H57 H 0.5502 -0.2483 -0.3666 0.063 Uiso 1 1 calc R . .
C58 C 0.4151(7) -0.3738(6) -0.4210(4) 0.048(2) Uani 1 1 d . . .
H58 H 0.4415 -0.3934 -0.4472 0.057 Uiso 1 1 calc R . .
C59 C 0.2799(7) -0.3999(6) -0.3937(5) 0.052(2) Uani 1 1 d . . .
H59 H 0.2095 -0.4385 -0.4017 0.062 Uiso 1 1 calc R . .
C60 C 0.3429(7) -0.3146(6) -0.3431(5) 0.052(2) Uani 1 1 d . . .
H60 H 0.3148 -0.2966 -0.3175 0.063 Uiso 1 1 calc R . .
C61 C 0.9368(8) 0.1053(7) -0.0265(5) 0.055(3) Uani 1 1 d . . .
C62 C 0.6185(8) 0.0905(7) -0.0150(5) 0.055(3) Uani 1 1 d . . .
C63 C 0.3937(10) -0.6043(8) -0.4701(6) 0.071(3) Uani 1 1 d . . .
C64 C 0.0854(10) -0.6492(7) -0.4244(6) 0.067(3) Uani 1 1 d . . .
S1 S 0.7126(3) 0.0307(3) 0.3355(2) 0.1014(12) Uani 1 1 d . . .
F1 F 0.7773(13) 0.1198(13) 0.4619(7) 0.269(8) Uani 1 1 d . . .
F2 F 0.6249(15) 0.0889(13) 0.3910(7) 0.253(8) Uani 1 1 d . . .
F3 F 0.6506(12) -0.0122(11) 0.4306(8) 0.213(6) Uani 1 1 d . . .
O5 O 0.7904(11) 0.0098(11) 0.3669(8) 0.202(6) Uani 1 1 d . . .
O6 O 0.7496(9) 0.1180(9) 0.3164(6) 0.172(5) Uani 1 1 d . . .
O7 O 0.6186(9) -0.0340(9) 0.2842(7) 0.179(5) Uani 1 1 d . . .
C65 C 0.699(2) 0.072(3) 0.4089(11) 0.184(12) Uani 1 1 d . . .
S2 S 0.2617(2) 0.4823(2) 0.16965(19) 0.0801(9) Uani 1 1 d . . .
F4 F 0.1033(8) 0.5069(8) 0.1249(5) 0.190(5) Uani 1 1 d . . .
F5 F 0.1323(7) 0.4709(5) 0.2214(6) 0.135(3) Uani 1 1 d . . .
F6 F 0.2296(6) 0.6088(5) 0.2169(4) 0.111(2) Uani 1 1 d . . .
O8 O 0.2985(12) 0.5373(7) 0.1278(8) 0.201(7) Uani 1 1 d . . .
O9 O 0.1978(6) 0.3835(6) 0.1380(5) 0.105(3) Uani 1 1 d . . .
O10 O 0.3389(8) 0.5106(10) 0.2401(6) 0.181(6) Uani 1 1 d . . .
C66 C 0.1759(11) 0.5171(9) 0.1832(7) 0.079(3) Uani 1 1 d . . .
S3 S 0.1644(3) 0.0483(3) 0.3147(2) 0.0865(10) Uani 1 1 d . . .
F7 F 0.1288(17) -0.1124(12) 0.3343(11) 0.286(11) Uani 1 1 d . . .
F8 F 0.2398(18) 0.0040(15) 0.4232(7) 0.351(13) Uani 1 1 d . . .
F9 F 0.2886(10) -0.0148(10) 0.3475(5) 0.212(7) Uani 1 1 d . . .
O11 O 0.0849(8) 0.0346(8) 0.3353(7) 0.164(5) Uani 1 1 d . . .
O12 O 0.2477(9) 0.1418(7) 0.3389(7) 0.162(5) Uani 1 1 d . . .
O13 O 0.1325(7) 0.0035(8) 0.2442(5) 0.126(4) Uani 1 1 d . . .
C67 C 0.214(2) -0.0163(18) 0.3618(10) 0.158(9) Uani 1 1 d . . .
S4 S 0.8493(2) 0.4137(2) 0.23230(18) 0.0730(8) Uani 1 1 d . . .
F10 F 1.0029(7) 0.5852(6) 0.2571(5) 0.144(3) Uani 1 1 d . . .
F11 F 0.9252(7) 0.5116(6) 0.1518(4) 0.132(3) Uani 1 1 d . . .
F12 F 0.8509(8) 0.5625(6) 0.1954(5) 0.143(3) Uani 1 1 d . . .
O14 O 0.7534(6) 0.3537(6) 0.1691(5) 0.114(3) Uani 1 1 d . . .
O15 O 0.8340(6) 0.4426(6) 0.2904(4) 0.092(3) Uani 1 1 d . . .
O16 O 0.9267(6) 0.3876(6) 0.2499(5) 0.107(3) Uani 1 1 d . . .
C68 C 0.9094(12) 0.5212(10) 0.2071(7) 0.086(4) 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
C2 Rh1 C4 65.6(3) . . ?
C2 Rh1 N5 98.8(3) . . ?
C4 Rh1 N5 160.4(3) . . ?
C2 Rh1 C1 39.3(3) . . ?
C4 Rh1 C1 65.1(3) . . ?
N5 Rh1 C1 95.4(3) . . ?
C2 Rh1 C3 39.0(3) . . ?
C4 Rh1 C3 38.5(3) . . ?
N5 Rh1 C3 133.5(3) . . ?
C1 Rh1 C3 64.7(4) . . ?
C2 Rh1 C5 65.3(3) . . ?
C4 Rh1 C5 39.0(3) . . ?
N5 Rh1 C5 124.9(3) . . ?
C1 Rh1 C5 38.4(3) . . ?
C3 Rh1 C5 64.5(3) . . ?
C2 Rh1 N2 117.3(3) . . ?
C4 Rh1 N2 108.3(3) . . ?
N5 Rh1 N2 89.1(3) . . ?
C1 Rh1 N2 156.5(3) . . ?
C3 Rh1 N2 95.7(3) . . ?
C5 Rh1 N2 145.8(3) . . ?
C2 Rh1 N1 164.2(3) . . ?
C4 Rh1 N1 105.6(3) . . ?
N5 Rh1 N1 86.4(3) . . ?
C1 Rh1 N1 125.8(3) . . ?
C3 Rh1 N1 139.8(3) . . ?
C5 Rh1 N1 99.5(3) . . ?
N2 Rh1 N1 77.5(3) . . ?
N7 Rh2 C14 107.2(3) . . ?
N7 Rh2 C12 111.2(3) . . ?
C14 Rh2 C12 65.8(4) . . ?
N7 Rh2 C15 146.2(3) . . ?
C14 Rh2 C15 39.2(3) . . ?
C12 Rh2 C15 64.3(4) . . ?
N7 Rh2 N1 89.4(3) . . ?
C14 Rh2 N1 106.3(3) . . ?
C12 Rh2 N1 159.2(3) . . ?
C15 Rh2 N1 97.1(3) . . ?
N7 Rh2 C11 150.3(3) . . ?
C14 Rh2 C11 65.1(4) . . ?
C12 Rh2 C11 39.1(3) . . ?
C15 Rh2 C11 37.4(3) . . ?
N1 Rh2 C11 120.2(3) . . ?
N7 Rh2 C13 90.2(3) . . ?
C14 Rh2 C13 39.6(3) . . ?
C12 Rh2 C13 39.0(3) . . ?
C15 Rh2 C13 65.1(4) . . ?
N1 Rh2 C13 143.3(3) . . ?
C11 Rh2 C13 65.3(4) . . ?
N7 Rh2 N2 86.7(3) . . ?
C14 Rh2 N2 165.5(3) . . ?
C12 Rh2 N2 105.6(3) . . ?
C15 Rh2 N2 127.1(3) . . ?
N1 Rh2 N2 77.5(3) . . ?
C11 Rh2 N2 100.7(3) . . ?
C13 Rh2 N2 139.1(3) . . ?
C22 Rh3 N6 105.6(3) . . ?
C22 Rh3 C25 66.1(4) . . ?
N6 Rh3 C25 111.9(4) . . ?
C22 Rh3 C24 65.4(4) . . ?
N6 Rh3 C24 151.2(4) . . ?
C25 Rh3 C24 39.4(4) . . ?
C22 Rh3 N4 107.7(4) . . ?
N6 Rh3 N4 88.8(3) . . ?
C25 Rh3 N4 159.2(4) . . ?
C24 Rh3 N4 119.8(4) . . ?
C22 Rh3 C23 39.7(4) . . ?
N6 Rh3 C23 144.9(4) . . ?
C25 Rh3 C23 65.6(4) . . ?
C24 Rh3 C23 38.1(4) . . ?
N4 Rh3 C23 96.6(4) . . ?
C22 Rh3 C21 38.8(4) . . ?
N6 Rh3 C21 90.9(3) . . ?
C25 Rh3 C21 39.0(4) . . ?
C24 Rh3 C21 64.7(4) . . ?
N4 Rh3 C21 144.4(4) . . ?
C23 Rh3 C21 65.0(4) . . ?
C22 Rh3 N3 164.6(3) . . ?
N6 Rh3 N3 89.1(3) . . ?
C25 Rh3 N3 104.6(4) . . ?
C24 Rh3 N3 99.6(4) . . ?
N4 Rh3 N3 76.4(3) . . ?
C23 Rh3 N3 125.9(4) . . ?
C21 Rh3 N3 139.2(4) . . ?
C32 Rh4 C31 38.6(4) . . ?
C32 Rh4 N8 96.5(4) . . ?
C31 Rh4 N8 96.8(3) . . ?
C32 Rh4 C34 64.3(4) . . ?
C31 Rh4 C34 65.3(4) . . ?
N8 Rh4 C34 160.2(4) . . ?
C32 Rh4 C35 64.2(4) . . ?
C31 Rh4 C35 39.0(4) . . ?
N8 Rh4 C35 130.1(4) . . ?
C34 Rh4 C35 38.7(4) . . ?
C32 Rh4 C33 38.3(4) . . ?
C31 Rh4 C33 64.7(4) . . ?
N8 Rh4 C33 127.8(4) . . ?
C34 Rh4 C33 38.1(4) . . ?
C35 Rh4 C33 64.0(4) . . ?
C32 Rh4 N4 122.0(4) . . ?
C31 Rh4 N4 160.5(4) . . ?
N8 Rh4 N4 86.7(3) . . ?
C34 Rh4 N4 107.3(4) . . ?
C35 Rh4 N4 143.1(4) . . ?
C33 Rh4 N4 98.0(4) . . ?
C32 Rh4 N3 161.0(4) . . ?
C31 Rh4 N3 122.4(4) . . ?
N8 Rh4 N3 86.3(3) . . ?
C34 Rh4 N3 110.2(4) . . ?
C35 Rh4 N3 99.7(3) . . ?
C33 Rh4 N3 145.6(4) . . ?
N4 Rh4 N3 76.9(3) . . ?
C61 N1 Rh2 128.9(7) . . ?
C61 N1 Rh1 127.4(7) . . ?
Rh2 N1 Rh1 102.9(3) . . ?
C62 N2 Rh1 134.6(7) . . ?
C62 N2 Rh2 121.3(7) . . ?
Rh1 N2 Rh2 102.0(3) . . ?
C63 N3 Rh4 128.5(8) . . ?
C63 N3 Rh3 127.0(8) . . ?
Rh4 N3 Rh3 102.7(3) . . ?
C64 N4 Rh4 131.7(8) . . ?
C64 N4 Rh3 122.8(7) . . ?
Rh4 N4 Rh3 104.0(3) . . ?
C41 N5 C45 118.3(7) . . ?
C41 N5 Rh1 121.3(6) . . ?
C45 N5 Rh1 120.4(5) . . ?
C48 N6 C49 116.1(7) . . ?
C48 N6 Rh3 123.2(6) . . ?
C49 N6 Rh3 119.3(6) . . ?
C55 N7 C51 115.7(7) . . ?
C55 N7 Rh2 121.5(6) . . ?
C51 N7 Rh2 121.9(6) . . ?
C58 N8 C59 117.3(8) . . ?
C58 N8 Rh4 122.0(6) . . ?
C59 N8 Rh4 120.7(6) . . ?
C5 C1 C2 108.2(8) . . ?
C5 C1 C6 125.1(9) . . ?
C2 C1 C6 126.6(9) . . ?
C5 C1 Rh1 71.3(5) . . ?
C2 C1 Rh1 69.2(5) . . ?
C6 C1 Rh1 127.4(7) . . ?
C3 C2 C1 107.4(8) . . ?
C3 C2 C7 127.3(8) . . ?
C1 C2 C7 125.0(9) . . ?
C3 C2 Rh1 71.9(5) . . ?
C1 C2 Rh1 71.6(5) . . ?
C7 C2 Rh1 126.7(7) . . ?
C4 C3 C2 108.5(8) . . ?
C4 C3 C8 127.1(9) . . ?
C2 C3 C8 124.4(9) . . ?
C4 C3 Rh1 69.9(5) . . ?
C2 C3 Rh1 69.2(5) . . ?
C8 C3 Rh1 126.2(7) . . ?
C3 C4 C5 108.0(8) . . ?
C3 C4 C9 125.8(9) . . ?
C5 C4 C9 125.7(9) . . ?
C3 C4 Rh1 71.6(5) . . ?
C5 C4 Rh1 71.7(5) . . ?
C9 C4 Rh1 128.6(7) . . ?
C1 C5 C4 107.8(8) . . ?
C1 C5 C10 127.4(9) . . ?
C4 C5 C10 124.8(9) . . ?
C1 C5 Rh1 70.4(5) . . ?
C4 C5 Rh1 69.4(5) . . ?
C10 C5 Rh1 125.2(6) . . ?
C15 C11 C12 107.9(9) . . ?
C15 C11 C16 128.6(10) . . ?
C12 C11 C16 123.5(9) . . ?
C15 C11 Rh2 70.9(5) . . ?
C12 C11 Rh2 69.5(5) . . ?
C16 C11 Rh2 127.2(7) . . ?
C11 C12 C13 108.8(9) . . ?
C11 C12 C17 125.5(9) . . ?
C13 C12 C17 125.4(9) . . ?
C11 C12 Rh2 71.4(5) . . ?
C13 C12 Rh2 72.0(5) . . ?
C17 C12 Rh2 127.5(7) . . ?
C12 C13 C14 105.8(8) . . ?
C12 C13 C18 128.1(10) . . ?
C14 C13 C18 126.0(9) . . ?
C12 C13 Rh2 69.0(5) . . ?
C14 C13 Rh2 67.9(5) . . ?
C18 C13 Rh2 125.3(6) . . ?
C15 C14 C13 107.5(8) . . ?
C15 C14 C19 126.6(10) . . ?
C13 C14 C19 125.5(9) . . ?
C15 C14 Rh2 71.7(5) . . ?
C13 C14 Rh2 72.5(5) . . ?
C19 C14 Rh2 126.9(7) . . ?
C11 C15 C14 109.9(9) . . ?
C11 C15 C20 126.9(10) . . ?
C14 C15 C20 123.2(9) . . ?
C11 C15 Rh2 71.8(5) . . ?
C14 C15 Rh2 69.1(5) . . ?
C20 C15 Rh2 125.5(7) . . ?
C22 C21 C25 108.2(10) . . ?
C22 C21 C26 126.8(11) . . ?
C25 C21 C26 124.9(11) . . ?
C22 C21 Rh3 68.4(6) . . ?
C25 C21 Rh3 69.1(6) . . ?
C26 C21 Rh3 127.3(7) . . ?
C21 C22 C23 108.1(10) . . ?
C21 C22 C27 127.4(11) . . ?
C23 C22 C27 123.9(11) . . ?
C21 C22 Rh3 72.8(6) . . ?
C23 C22 Rh3 72.0(6) . . ?
C27 C22 Rh3 127.5(8) . . ?
C24 C23 C22 106.8(9) . . ?
C24 C23 C28 126.0(11) . . ?
C22 C23 C28 127.2(11) . . ?
C24 C23 Rh3 70.0(6) . . ?
C22 C23 Rh3 68.2(5) . . ?
C28 C23 Rh3 127.7(7) . . ?
C23 C24 C25 109.9(10) . . ?
C23 C24 C29 125.5(11) . . ?
C25 C24 C29 124.5(11) . . ?
C23 C24 Rh3 71.9(5) . . ?
C25 C24 Rh3 70.1(6) . . ?
C29 C24 Rh3 126.3(8) . . ?
C21 C25 C24 106.6(10) . . ?
C21 C25 C30 123.8(11) . . ?
C24 C25 C30 129.3(11) . . ?
C21 C25 Rh3 71.9(6) . . ?
C24 C25 Rh3 70.6(5) . . ?
C30 C25 Rh3 127.7(8) . . ?
C32 C31 C35 106.1(10) . . ?
C32 C31 C36 131.6(12) . . ?
C35 C31 C36 122.1(12) . . ?
C32 C31 Rh4 69.8(6) . . ?
C35 C31 Rh4 71.0(6) . . ?
C36 C31 Rh4 127.8(9) . . ?
C33 C32 C31 110.1(10) . . ?
C33 C32 C37 126.2(12) . . ?
C31 C32 C37 123.5(12) . . ?
C33 C32 Rh4 72.6(7) . . ?
C31 C32 Rh4 71.6(6) . . ?
C37 C32 Rh4 125.6(8) . . ?
C32 C33 C34 107.8(11) . . ?
C32 C33 C38 123.8(12) . . ?
C34 C33 C38 128.3(13) . . ?
C32 C33 Rh4 69.2(6) . . ?
C34 C33 Rh4 70.7(6) . . ?
C38 C33 Rh4 126.3(8) . . ?
C33 C34 C35 107.5(10) . . ?
C33 C34 C39 123.4(13) . . ?
C35 C34 C39 128.6(11) . . ?
C33 C34 Rh4 71.3(6) . . ?
C35 C34 Rh4 70.7(6) . . ?
C39 C34 Rh4 129.5(9) . . ?
C34 C35 C31 108.3(9) . . ?
C34 C35 C40 123.8(12) . . ?
C31 C35 C40 127.9(13) . . ?
C34 C35 Rh4 70.6(6) . . ?
C31 C35 Rh4 70.0(6) . . ?
C40 C35 Rh4 126.6(8) . . ?
N5 C41 C42 123.2(8) . . ?
C41 C42 C43 119.3(8) . . ?
C44 C43 C42 117.5(8) . . ?
C44 C43 C46 120.1(8) . . ?
C42 C43 C46 122.3(7) . . ?
C43 C44 C45 119.3(8) . . ?
N5 C45 C44 122.4(7) . . ?
C50 C46 C47 115.4(8) . . ?
C50 C46 C43 121.6(8) . . ?
C47 C46 C43 122.9(8) . . ?
C48 C47 C46 121.2(9) . . ?
N6 C48 C47 122.9(8) . . ?
N6 C49 C50 124.5(8) . . ?
C49 C50 C46 120.0(8) . . ?
N7 C51 C52 124.5(8) . . ?
C53 C52 C51 119.0(8) . . ?
C52 C53 C54 117.4(8) . . ?
C52 C53 C56 120.7(8) . . ?
C54 C53 C56 121.8(8) . . ?
C55 C54 C53 119.6(8) . . ?
N7 C55 C54 123.6(8) . . ?
C57 C56 C60 115.1(8) . . ?
C57 C56 C53 123.2(8) . . ?
C60 C56 C53 121.6(7) . . ?
C58 C57 C56 121.6(8) . . ?
N8 C58 C57 122.5(8) . . ?
N8 C59 C60 122.6(8) . . ?
C59 C60 C56 120.7(8) . . ?
O1 C61 N1 175.8(12) . . ?
N2 C62 O2 179.0(11) . . ?
O3 C63 N3 177.3(12) . . ?
O4 C64 N4 177.5(13) . . ?
O7 S1 O5 121.7(10) . . ?
O7 S1 O6 108.5(8) . . ?
O5 S1 O6 113.8(8) . . ?
O7 S1 C65 110.6(11) . . ?
O5 S1 C65 103.1(9) . . ?
O6 S1 C65 95.8(13) . . ?
F1 C65 F2 121(3) . . ?
F1 C65 F3 99.0(16) . . ?
F2 C65 F3 99(2) . . ?
F1 C65 S1 116.8(18) . . ?
F2 C65 S1 113.4(14) . . ?
F3 C65 S1 103(2) . . ?
O8 S2 O9 114.9(7) . . ?
O8 S2 O10 114.0(10) . . ?
O9 S2 O10 115.6(8) . . ?
O8 S2 C66 103.7(7) . . ?
O9 S2 C66 105.9(6) . . ?
O10 S2 C66 100.3(6) . . ?
F4 C66 F5 109.0(13) . . ?
F4 C66 F6 105.3(11) . . ?
F5 C66 F6 105.8(10) . . ?
F4 C66 S2 112.5(10) . . ?
F5 C66 S2 112.5(9) . . ?
F6 C66 S2 111.3(10) . . ?
O12 S3 O11 112.4(6) . . ?
O12 S3 O13 114.3(8) . . ?
O11 S3 O13 117.9(7) . . ?
O12 S3 C67 105.9(11) . . ?
O11 S3 C67 102.3(10) . . ?
O13 S3 C67 101.8(7) . . ?
F8 C67 F9 112(2) . . ?
F8 C67 F7 107(2) . . ?
F9 C67 F7 105.2(15) . . ?
F8 C67 S3 114.7(14) . . ?
F9 C67 S3 111.6(16) . . ?
F7 C67 S3 105.0(18) . . ?
O16 S4 O15 115.4(5) . . ?
O16 S4 O14 116.1(5) . . ?
O15 S4 O14 114.5(5) . . ?
O16 S4 C68 102.6(6) . . ?
O15 S4 C68 103.8(6) . . ?
O14 S4 C68 101.6(6) . . ?
F11 C68 F10 105.0(11) . . ?
F11 C68 F12 107.9(11) . . ?
F10 C68 F12 105.7(12) . . ?
F11 C68 S4 115.2(10) . . ?
F10 C68 S4 111.6(10) . . ?
F12 C68 S4 110.9(9) . . ?
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 C2 2.128(9) . ?
Rh1 C4 2.141(9) . ?
Rh1 N5 2.159(7) . ?
Rh1 C1 2.160(10) . ?
Rh1 C3 2.164(8) . ?
Rh1 C5 2.171(8) . ?
Rh1 N2 2.184(8) . ?
Rh1 N1 2.190(7) . ?
Rh2 N7 2.111(7) . ?
Rh2 C14 2.130(9) . ?
Rh2 C12 2.151(9) . ?
Rh2 C15 2.164(9) . ?
Rh2 N1 2.168(7) . ?
Rh2 C11 2.176(8) . ?
Rh2 C13 2.193(9) . ?
Rh2 N2 2.202(7) . ?
Rh3 C22 2.121(11) . ?
Rh3 N6 2.134(7) . ?
Rh3 C25 2.141(10) . ?
Rh3 C24 2.148(9) . ?
Rh3 N4 2.166(8) . ?
Rh3 C23 2.173(9) . ?
Rh3 C21 2.179(10) . ?
Rh3 N3 2.195(8) . ?
Rh4 C32 2.115(11) . ?
Rh4 C31 2.138(11) . ?
Rh4 N8 2.143(7) . ?
Rh4 C34 2.152(10) . ?
Rh4 C35 2.152(10) . ?
Rh4 C33 2.159(11) . ?
Rh4 N4 2.165(8) . ?
Rh4 N3 2.174(8) . ?
O1 C61 1.163(10) . ?
O2 C62 1.183(11) . ?
O3 C63 1.170(12) . ?
O4 C64 1.173(13) . ?
N1 C61 1.171(10) . ?
N2 C62 1.173(11) . ?
N3 C63 1.197(12) . ?
N4 C64 1.199(13) . ?
N5 C41 1.324(9) . ?
N5 C45 1.336(10) . ?
N6 C48 1.341(10) . ?
N6 C49 1.350(10) . ?
N7 C55 1.332(10) . ?
N7 C51 1.334(10) . ?
N8 C58 1.312(10) . ?
N8 C59 1.353(10) . ?
C1 C5 1.424(12) . ?
C1 C2 1.441(12) . ?
C1 C6 1.484(12) . ?
C2 C3 1.432(12) . ?
C2 C7 1.478(12) . ?
C3 C4 1.419(12) . ?
C3 C8 1.501(12) . ?
C4 C5 1.440(12) . ?
C4 C9 1.495(12) . ?
C5 C10 1.507(11) . ?
C11 C15 1.390(12) . ?
C11 C12 1.449(13) . ?
C11 C16 1.509(13) . ?
C12 C13 1.451(13) . ?
C12 C17 1.519(13) . ?
C13 C14 1.465(13) . ?
C13 C18 1.468(12) . ?
C14 C15 1.441(12) . ?
C14 C19 1.487(13) . ?
C15 C20 1.513(13) . ?
C21 C22 1.428(14) . ?
C21 C25 1.442(14) . ?
C21 C26 1.476(14) . ?
C22 C23 1.460(14) . ?
C22 C27 1.507(14) . ?
C23 C24 1.410(13) . ?
C23 C28 1.482(13) . ?
C24 C25 1.444(14) . ?
C24 C29 1.508(14) . ?
C25 C30 1.511(14) . ?
C31 C32 1.405(14) . ?
C31 C35 1.431(14) . ?
C31 C36 1.451(15) . ?
C32 C33 1.401(16) . ?
C32 C37 1.523(14) . ?
C33 C34 1.407(14) . ?
C33 C38 1.519(15) . ?
C34 C35 1.425(15) . ?
C34 C39 1.523(14) . ?
C35 C40 1.524(14) . ?
C41 C42 1.380(11) . ?
C42 C43 1.391(11) . ?
C43 C44 1.390(10) . ?
C43 C46 1.475(11) . ?
C44 C45 1.391(11) . ?
C46 C50 1.378(11) . ?
C46 C47 1.422(11) . ?
C47 C48 1.346(12) . ?
C49 C50 1.358(11) . ?
C51 C52 1.375(11) . ?
C52 C53 1.363(11) . ?
C53 C54 1.388(11) . ?
C53 C56 1.482(11) . ?
C54 C55 1.369(11) . ?
C56 C57 1.382(11) . ?
C56 C60 1.384(11) . ?
C57 C58 1.370(11) . ?
C59 C60 1.366(11) . ?
S1 O7 1.324(11) . ?
S1 O5 1.387(10) . ?
S1 O6 1.412(11) . ?
S1 C65 1.79(2) . ?
F1 C65 1.19(3) . ?
F2 C65 1.260(18) . ?
F3 C65 1.42(3) . ?
S2 O8 1.372(10) . ?
S2 O9 1.400(8) . ?
S2 O10 1.417(10) . ?
S2 C66 1.812(13) . ?
F4 C66 1.282(13) . ?
F5 C66 1.291(13) . ?
F6 C66 1.324(13) . ?
S3 O12 1.374(10) . ?
S3 O11 1.404(8) . ?
S3 O13 1.416(9) . ?
S3 C67 1.751(19) . ?
F7 C67 1.41(3) . ?
F8 C67 1.183(18) . ?
F9 C67 1.32(2) . ?
S4 O16 1.424(7) . ?
S4 O15 1.434(7) . ?
S4 O14 1.434(9) . ?
S4 C68 1.782(13) . ?
F10 C68 1.308(14) . ?
F11 C68 1.294(13) . ?
F12 C68 1.357(14) . ?
