#------------------------------------------------------------------------------
#$Date: 2016-03-24 17:19:21 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179685 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/07/7000700.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_7000700
loop_
_publ_author_name
'Li, Ping'
'Wang, Mei'
'Chen, Lin'
'Liu, Jihong'
'Zhao, Zhenbo'
'Sun, Licheng'
_publ_section_title
;
 Structures, protonation, and electrochemical properties of diiron
 dithiolate complexes containing pyridyl-phosphine ligands
;
_journal_issue                   11
_journal_name_full               'Dalton Transactions'
_journal_page_first              1919
_journal_page_last               1926
_journal_paper_doi               10.1039/b814336f
_journal_year                    2009
_chemical_formula_moiety         'C26 H23 Fe2 N O5 P S2, C F3 O3 S'
_chemical_formula_sum            'C27 H23 F3 Fe2 N O8 P S3'
_chemical_formula_weight         785.31
_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_date             'Oct 31 18:25:00 2006'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                97.749(4)
_cell_angle_beta                 109.389(3)
_cell_angle_gamma                94.117(4)
_cell_formula_units_Z            2
_cell_length_a                   10.8040(6)
_cell_length_b                   10.9749(8)
_cell_length_c                   14.5372(9)
_cell_measurement_reflns_used    4299
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      24.72
_cell_measurement_theta_min      2.58
_cell_volume                     1598.53(18)
_computing_cell_refinement       'SMART (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        'SAINT (Bruker, 1997)'
_computing_molecular_graphics    'SHELXP97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXTL (Bruker, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0239
_diffrn_reflns_av_sigmaI/netI    0.0367
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            15173
_diffrn_reflns_theta_full        27.63
_diffrn_reflns_theta_max         27.63
_diffrn_reflns_theta_min         1.89
_exptl_absorpt_coefficient_mu    1.219
_exptl_absorpt_correction_T_max  0.7925
_exptl_absorpt_correction_T_min  0.7112
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.632
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             796
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.474
_refine_diff_density_min         -0.350
_refine_diff_density_rms         0.057
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     410
_refine_ls_number_reflns         7369
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0656
_refine_ls_R_factor_gt           0.0403
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0491P)²+0.3515P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0935
_refine_ls_wR_factor_ref         0.1065
_reflns_number_gt                5154
_reflns_number_total             7369
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b814336f.txt
_cod_data_source_block           3aH
_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 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      'P-1 '
_cod_database_code               7000700
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
Fe1 Fe 0.72886(4) 0.55591(4) 0.38512(3) 0.05968(14) Uani 1 1 d . . .
Fe2 Fe 0.53901(4) 0.46107(3) 0.22495(3) 0.04559(12) Uani 1 1 d . . .
S1 S 0.66658(9) 0.64056(8) 0.24619(7) 0.0728(3) Uani 1 1 d . . .
S2 S 0.51206(7) 0.54075(6) 0.36591(5) 0.05065(17) Uani 1 1 d . . .
P1 P 0.46261(6) 0.27209(6) 0.23888(5) 0.03786(15) Uani 1 1 d . . .
N1 N 0.1127(2) 0.2080(2) 0.14201(18) 0.0499(6) Uani 1 1 d . . .
O1 O 0.8717(3) 0.7759(3) 0.5290(3) 0.1534(17) Uani 1 1 d . . .
O2 O 0.9391(3) 0.4534(3) 0.3279(3) 0.1227(12) Uani 1 1 d . . .
O3 O 0.7690(3) 0.4000(2) 0.53692(19) 0.0906(8) Uani 1 1 d . . .
O4 O 0.6790(3) 0.3479(3) 0.1017(2) 0.0938(8) Uani 1 1 d . . .
O5 O 0.3127(3) 0.5228(3) 0.07083(18) 0.0963(9) Uani 1 1 d . . .
C1 C 0.8148(4) 0.6908(3) 0.4740(4) 0.0956(13) Uani 1 1 d . . .
C2 C 0.8573(4) 0.4955(4) 0.3497(3) 0.0830(11) Uani 1 1 d . . .
C3 C 0.7515(3) 0.4576(3) 0.4766(3) 0.0639(8) Uani 1 1 d . . .
C4 C 0.6236(3) 0.3923(3) 0.1500(3) 0.0627(8) Uani 1 1 d . . .
C5 C 0.3989(3) 0.4946(3) 0.1317(2) 0.0614(8) Uani 1 1 d . . .
C6 C 0.5782(4) 0.7744(3) 0.2611(4) 0.0940(13) Uani 1 1 d . . .
H6A H 0.6360 0.8485 0.2658 0.113 Uiso 1 1 calc R . .
H6C H 0.5022 0.7687 0.2012 0.113 Uiso 1 1 calc R . .
C7 C 0.5314(4) 0.7918(3) 0.3455(4) 0.0933(13) Uani 1 1 d . . .
H7A H 0.6082 0.8097 0.4058 0.112 Uiso 1 1 calc R . .
H7B H 0.4849 0.8644 0.3419 0.112 Uiso 1 1 calc R . .
C8 C 0.4444(4) 0.6884(3) 0.3541(3) 0.0754(10) Uani 1 1 d . . .
H8A H 0.3645 0.6748 0.2962 0.091 Uiso 1 1 calc R . .
H8B H 0.4191 0.7131 0.4113 0.091 Uiso 1 1 calc R . .
C9 C 0.3180(2) 0.2603(2) 0.28192(18) 0.0428(6) Uani 1 1 d . . .
H9A H 0.2995 0.1756 0.2905 0.051 Uiso 1 1 calc R . .
H9B H 0.3407 0.3129 0.3459 0.051 Uiso 1 1 calc R . .
C10 C 0.1966(2) 0.2971(2) 0.21211(19) 0.0432(6) Uani 1 1 d . . .
C11 C 0.1642(3) 0.4158(3) 0.2124(2) 0.0574(7) Uani 1 1 d . . .
H11A H 0.2182 0.4800 0.2607 0.069 Uiso 1 1 calc R . .
C12 C 0.0527(3) 0.4400(3) 0.1419(3) 0.0703(9) Uani 1 1 d . . .
H12A H 0.0318 0.5208 0.1425 0.084 Uiso 1 1 calc R . .
C13 C -0.0280(3) 0.3476(3) 0.0708(3) 0.0680(9) Uani 1 1 d . . .
H13A H -0.1027 0.3644 0.0221 0.082 Uiso 1 1 calc R . .
C14 C 0.0032(3) 0.2298(3) 0.0727(2) 0.0610(8) Uani 1 1 d . . .
H14A H -0.0515 0.1646 0.0259 0.073 Uiso 1 1 calc R . .
C15 C 0.4039(2) 0.1552(2) 0.12591(18) 0.0440(6) Uani 1 1 d . . .
C16 C 0.3551(3) 0.1901(3) 0.0337(2) 0.0650(8) Uani 1 1 d . . .
H16A H 0.3552 0.2736 0.0285 0.078 Uiso 1 1 calc R . .
C17 C 0.3065(4) 0.1012(4) -0.0503(2) 0.0798(11) Uani 1 1 d . . .
H17A H 0.2732 0.1252 -0.1119 0.096 Uiso 1 1 calc R . .
C18 C 0.3067(3) -0.0224(4) -0.0438(2) 0.0730(10) Uani 1 1 d . . .
H18A H 0.2741 -0.0819 -0.1009 0.088 Uiso 1 1 calc R . .
C19 C 0.3548(3) -0.0576(3) 0.0465(2) 0.0684(9) Uani 1 1 d . . .
H19A H 0.3552 -0.1413 0.0510 0.082 Uiso 1 1 calc R . .
C20 C 0.4030(3) 0.0303(3) 0.1312(2) 0.0545(7) Uani 1 1 d . . .
H20A H 0.4353 0.0053 0.1926 0.065 Uiso 1 1 calc R . .
C21 C 0.5812(2) 0.1934(2) 0.32552(18) 0.0423(6) Uani 1 1 d . . .
C22 C 0.5602(3) 0.1497(3) 0.4048(2) 0.0555(7) Uani 1 1 d . . .
H22A H 0.4810 0.1578 0.4159 0.067 Uiso 1 1 calc R . .
C23 C 0.6575(4) 0.0939(3) 0.4676(2) 0.0707(10) Uani 1 1 d . . .
H23A H 0.6436 0.0657 0.5213 0.085 Uiso 1 1 calc R . .
C24 C 0.7722(4) 0.0798(3) 0.4515(3) 0.0783(11) Uani 1 1 d . . .
H24A H 0.8363 0.0417 0.4941 0.094 Uiso 1 1 calc R . .
C25 C 0.7951(3) 0.1216(3) 0.3724(3) 0.0766(10) Uani 1 1 d . . .
H25A H 0.8738 0.1111 0.3611 0.092 Uiso 1 1 calc R . .
C26 C 0.6995(3) 0.1794(3) 0.3103(2) 0.0588(7) Uani 1 1 d . . .
H26A H 0.7149 0.2091 0.2577 0.071 Uiso 1 1 calc R . .
S3 S 1.15331(7) 0.88439(7) 0.20852(6) 0.05635(19) Uani 1 1 d . . .
O6 O 1.1968(2) 0.7773(2) 0.16678(19) 0.0821(7) Uani 1 1 d . . .
O7 O 1.2460(2) 0.9562(2) 0.29689(16) 0.0788(7) Uani 1 1 d . . .
O8 O 1.0842(2) 0.95738(19) 0.13665(15) 0.0697(6) Uani 1 1 d . . .
C27 C 1.0244(4) 0.8162(3) 0.2469(3) 0.0746(10) Uani 1 1 d . . .
F1 F 0.9651(3) 0.8995(3) 0.2826(2) 0.1210(9) Uani 1 1 d . . .
F2 F 1.0740(3) 0.7472(2) 0.31457(19) 0.1136(8) Uani 1 1 d . . .
F3 F 0.9335(2) 0.7440(2) 0.17052(19) 0.1011(7) Uani 1 1 d . . .
H1 H 0.124(3) 0.139(3) 0.146(2) 0.067(11) Uiso 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'
P P 0.1023 0.0942 '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'
Fe Fe 0.3463 0.8444 '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'
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 Fe1 C3 90.65(17) . . ?
C2 Fe1 C1 102.34(19) . . ?
C3 Fe1 C1 93.57(17) . . ?
C2 Fe1 S1 89.09(13) . . ?
C3 Fe1 S1 166.26(10) . . ?
C1 Fe1 S1 99.90(14) . . ?
C2 Fe1 S2 148.18(13) . . ?
C3 Fe1 S2 88.54(11) . . ?
C1 Fe1 S2 109.46(14) . . ?
S1 Fe1 S2 84.47(3) . . ?
C2 Fe1 Fe2 96.44(13) . . ?
C3 Fe1 Fe2 111.38(9) . . ?
C1 Fe1 Fe2 148.53(13) . . ?
S1 Fe1 Fe2 55.05(3) . . ?
S2 Fe1 Fe2 54.80(2) . . ?
C5 Fe2 C4 99.43(15) . . ?
C5 Fe2 S2 104.02(11) . . ?
C4 Fe2 S2 156.28(11) . . ?
C5 Fe2 P1 99.47(11) . . ?
C4 Fe2 P1 89.45(10) . . ?
S2 Fe2 P1 90.22(3) . . ?
C5 Fe2 S1 97.00(11) . . ?
C4 Fe2 S1 88.45(11) . . ?
S2 Fe2 S1 85.20(3) . . ?
P1 Fe2 S1 163.51(3) . . ?
C5 Fe2 Fe1 143.74(11) . . ?
C4 Fe2 Fe1 102.45(11) . . ?
S2 Fe2 Fe1 55.54(2) . . ?
P1 Fe2 Fe1 109.23(2) . . ?
S1 Fe2 Fe1 55.45(3) . . ?
C6 S1 Fe2 111.56(14) . . ?
C6 S1 Fe1 111.02(15) . . ?
Fe2 S1 Fe1 69.50(3) . . ?
C8 S2 Fe2 110.16(13) . . ?
C8 S2 Fe1 112.93(12) . . ?
Fe2 S2 Fe1 69.66(3) . . ?
C21 P1 C15 102.10(11) . . ?
C21 P1 C9 101.88(12) . . ?
C15 P1 C9 101.11(11) . . ?
C21 P1 Fe2 115.50(8) . . ?
C15 P1 Fe2 116.77(9) . . ?
C9 P1 Fe2 117.03(9) . . ?
C14 N1 C10 123.6(3) . . ?
C14 N1 H1 118(2) . . ?
C10 N1 H1 118(2) . . ?
O1 C1 Fe1 178.2(5) . . ?
O2 C2 Fe1 178.0(4) . . ?
O3 C3 Fe1 177.1(3) . . ?
O4 C4 Fe2 179.7(4) . . ?
O5 C5 Fe2 175.7(3) . . ?
C7 C6 S1 118.2(3) . . ?
C7 C6 H6A 107.8 . . ?
S1 C6 H6A 107.8 . . ?
C7 C6 H6C 107.8 . . ?
S1 C6 H6C 107.8 . . ?
H6A C6 H6C 107.1 . . ?
C8 C7 C6 116.8(4) . . ?
C8 C7 H7A 108.1 . . ?
C6 C7 H7A 108.1 . . ?
C8 C7 H7B 108.1 . . ?
C6 C7 H7B 108.1 . . ?
H7A C7 H7B 107.3 . . ?
C7 C8 S2 116.6(3) . . ?
C7 C8 H8A 108.1 . . ?
S2 C8 H8A 108.1 . . ?
C7 C8 H8B 108.1 . . ?
S2 C8 H8B 108.1 . . ?
H8A C8 H8B 107.3 . . ?
C10 C9 P1 113.04(17) . . ?
C10 C9 H9A 109.0 . . ?
P1 C9 H9A 109.0 . . ?
C10 C9 H9B 109.0 . . ?
P1 C9 H9B 109.0 . . ?
H9A C9 H9B 107.8 . . ?
N1 C10 C11 117.0(2) . . ?
N1 C10 C9 117.8(2) . . ?
C11 C10 C9 125.1(2) . . ?
C12 C11 C10 120.2(3) . . ?
C12 C11 H11A 119.9 . . ?
C10 C11 H11A 119.9 . . ?
C13 C12 C11 120.9(3) . . ?
C13 C12 H12A 119.5 . . ?
C11 C12 H12A 119.5 . . ?
C12 C13 C14 118.4(3) . . ?
C12 C13 H13A 120.8 . . ?
C14 C13 H13A 120.8 . . ?
N1 C14 C13 119.8(3) . . ?
N1 C14 H14A 120.1 . . ?
C13 C14 H14A 120.1 . . ?
C20 C15 C16 118.6(3) . . ?
C20 C15 P1 120.7(2) . . ?
C16 C15 P1 120.7(2) . . ?
C17 C16 C15 120.1(3) . . ?
C17 C16 H16A 119.9 . . ?
C15 C16 H16A 119.9 . . ?
C18 C17 C16 120.6(3) . . ?
C18 C17 H17A 119.7 . . ?
C16 C17 H17A 119.7 . . ?
C19 C18 C17 119.7(3) . . ?
C19 C18 H18A 120.1 . . ?
C17 C18 H18A 120.1 . . ?
C18 C19 C20 120.3(3) . . ?
C18 C19 H19A 119.8 . . ?
C20 C19 H19A 119.8 . . ?
C19 C20 C15 120.6(3) . . ?
C19 C20 H20A 119.7 . . ?
C15 C20 H20A 119.7 . . ?
C26 C21 C22 118.9(2) . . ?
C26 C21 P1 116.9(2) . . ?
C22 C21 P1 124.2(2) . . ?
C21 C22 C23 119.8(3) . . ?
C21 C22 H22A 120.1 . . ?
C23 C22 H22A 120.1 . . ?
C24 C23 C22 120.7(3) . . ?
C24 C23 H23A 119.6 . . ?
C22 C23 H23A 119.6 . . ?
C23 C24 C25 120.6(3) . . ?
C23 C24 H24A 119.7 . . ?
C25 C24 H24A 119.7 . . ?
C24 C25 C26 119.1(3) . . ?
C24 C25 H25A 120.5 . . ?
C26 C25 H25A 120.5 . . ?
C25 C26 C21 120.9(3) . . ?
C25 C26 H26A 119.6 . . ?
C21 C26 H26A 119.6 . . ?
O7 S3 O6 116.44(16) . . ?
O7 S3 O8 113.96(13) . . ?
O6 S3 O8 113.87(14) . . ?
O7 S3 C27 104.70(17) . . ?
O6 S3 C27 102.12(17) . . ?
O8 S3 C27 103.55(15) . . ?
F1 C27 F2 108.5(3) . . ?
F1 C27 F3 107.5(3) . . ?
F2 C27 F3 107.7(3) . . ?
F1 C27 S3 112.4(3) . . ?
F2 C27 S3 110.5(3) . . ?
F3 C27 S3 110.2(3) . . ?
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
Fe1 C2 1.773(4) . ?
Fe1 C3 1.789(4) . ?
Fe1 C1 1.793(4) . ?
Fe1 S1 2.2558(10) . ?
Fe1 S2 2.2560(8) . ?
Fe1 Fe2 2.5654(6) . ?
Fe2 C5 1.766(3) . ?
Fe2 C4 1.769(3) . ?
Fe2 S2 2.2357(8) . ?
Fe2 P1 2.2366(7) . ?
Fe2 S1 2.2448(9) . ?
S1 C6 1.835(4) . ?
S2 C8 1.831(3) . ?
P1 C21 1.831(2) . ?
P1 C15 1.835(3) . ?
P1 C9 1.869(3) . ?
N1 C14 1.337(4) . ?
N1 C10 1.344(3) . ?
N1 H1 0.78(3) . ?
O1 C1 1.131(4) . ?
O2 C2 1.141(5) . ?
O3 C3 1.123(4) . ?
O4 C4 1.147(4) . ?
O5 C5 1.147(3) . ?
C6 C7 1.470(6) . ?
C6 H6A 0.9700 . ?
C6 H6C 0.9700 . ?
C7 C8 1.466(5) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C10 1.488(3) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C11 1.373(4) . ?
C11 C12 1.368(4) . ?
C11 H11A 0.9300 . ?
C12 C13 1.360(5) . ?
C12 H12A 0.9300 . ?
C13 C14 1.360(4) . ?
C13 H13A 0.9300 . ?
C14 H14A 0.9300 . ?
C15 C20 1.384(4) . ?
C15 C16 1.385(4) . ?
C16 C17 1.377(5) . ?
C16 H16A 0.9300 . ?
C17 C18 1.373(5) . ?
C17 H17A 0.9300 . ?
C18 C19 1.362(5) . ?
C18 H18A 0.9300 . ?
C19 C20 1.378(4) . ?
C19 H19A 0.9300 . ?
C20 H20A 0.9300 . ?
C21 C26 1.383(4) . ?
C21 C22 1.385(4) . ?
C22 C23 1.385(4) . ?
C22 H22A 0.9300 . ?
C23 C24 1.351(5) . ?
C23 H23A 0.9300 . ?
C24 C25 1.382(5) . ?
C24 H24A 0.9300 . ?
C25 C26 1.383(4) . ?
C25 H25A 0.9300 . ?
C26 H26A 0.9300 . ?
S3 O7 1.426(2) . ?
S3 O6 1.430(2) . ?
S3 O8 1.444(2) . ?
S3 C27 1.813(4) . ?
C27 F1 1.302(4) . ?
C27 F2 1.319(4) . ?
C27 F3 1.324(4) . ?
