#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/14/4321485.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_4321485
loop_
_publ_author_name
'Cheng-Yong Su'
'Bei-Sheng Kang'
'Chen-Xia Du'
'Qing-Chuan Yang'
'Thomas C. W. Mak'
_publ_section_title
;
 Formation of Mono-, Bi-, Tri-, and Tetranuclear Ag(I) Complexes of
 C3-Symmetric Tripodal Benzimidazole Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4843
_journal_page_last               4849
_journal_paper_doi               10.1021/ic991140g
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'C34 H39.5 Ag F3 N7 O3.25 S'
_chemical_formula_weight         795.16
_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
_cell_angle_alpha                118.440(10)
_cell_angle_beta                 92.97(2)
_cell_angle_gamma                93.93(2)
_cell_formula_units_Z            2
_cell_length_a                   10.869(5)
_cell_length_b                   14.314(2)
_cell_length_c                   14.428(2)
_cell_measurement_reflns_used    35
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.860
_cell_measurement_theta_min      9.810
_cell_volume                     1960.0(10)
_computing_data_collection       Xscans
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Siemens P4'
_diffrn_measurement_method       ω
_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  0.0397
_diffrn_reflns_av_sigmaI/netI    0.1011
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            8542
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.61
_diffrn_standards_interval_count 200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.623
_exptl_absorpt_correction_T_max  0.893
_exptl_absorpt_correction_T_min  0.860
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.347
_exptl_crystal_description       Block
_exptl_crystal_F_000             817
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.34
_refine_diff_density_max         0.758
_refine_diff_density_min         -0.515
_refine_diff_density_rms         0.107
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.030
_refine_ls_goodness_of_fit_obs   1.123
_refine_ls_hydrogen_treatment    geom
_refine_ls_matrix_type           full
_refine_ls_number_parameters     441
_refine_ls_number_reflns         7307
_refine_ls_number_restraints     10
_refine_ls_restrained_S_all      1.085
_refine_ls_restrained_S_obs      1.123
_refine_ls_R_factor_all          0.1387
_refine_ls_R_factor_obs          0.0734
_refine_ls_shift/esd_max         0.135
_refine_ls_shift/esd_mean        0.006
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1073P)²+0.1066P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.2224
_refine_ls_wR_factor_obs         0.1741
_reflns_number_observed          4273
_reflns_number_total             7319
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic991140g_1.cif
_cod_data_source_block           Compound1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Empirical' changed to
'empirical' according to the built-in table from CIF Core dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.1073P)^2^+0.1066P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.1073P)^2^+0.1066P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_formula_sum        'C34 H39.50 Ag F3 N7 O3.25 S'
_cod_database_code               4321485
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Ag1 Ag -0.10414(3) 0.32628(2) 0.16324(2) 0.05036(8) Uani 1 d . .
N1 N 0.1418(3) 0.3306(2) 0.1683(2) 0.0490(9) Uani 1 d . .
N2 N -0.0422(3) 0.1603(2) 0.1367(2) 0.0531(10) Uani 1 d . .
N3 N 0.1104(3) 0.0625(2) 0.1341(2) 0.0542(10) Uani 1 d . .
N4 N -0.0056(3) 0.4660(2) 0.3242(2) 0.0472(9) Uani 1 d . .
N5 N 0.1617(3) 0.5497(2) 0.4394(2) 0.0493(9) Uani 1 d . .
N6 N -0.0268(3) 0.3463(2) 0.0223(2) 0.0495(9) Uani 1 d . .
N7 N 0.1266(3) 0.3903(2) -0.0519(2) 0.0507(9) Uani 1 d . .
C1 C 0.1661(3) 0.2210(3) 0.1051(3) 0.0538(12) Uani 1 d . .
H1A H 0.2497(3) 0.2128(3) 0.1227(3) 0.080 Uiso 1 d R .
H1B H 0.1566(3) 0.2015(3) 0.0314(3) 0.080 Uiso 1 d R .
C2 C 0.0757(3) 0.1481(3) 0.1254(3) 0.0519(12) Uani 1 d . .
C3 C -0.0892(3) 0.0782(2) 0.1552(3) 0.0474(11) Uani 1 d . .
C4 C -0.2069(4) 0.0564(3) 0.1765(3) 0.0585(13) Uani 1 d . .
H4A H -0.2720(4) 0.0988(3) 0.1771(3) 0.080 Uiso 1 d R .
C5 C -0.2257(4) -0.0270(3) 0.1971(3) 0.080(2) Uani 1 d . .
H5A H -0.3071(4) -0.0455(3) 0.2102(3) 0.080 Uiso 1 d R .
C6 C -0.1296(5) -0.0876(3) 0.1970(4) 0.078(2) Uani 1 d . .
H6A H -0.1454(5) -0.1454(3) 0.2123(4) 0.080 Uiso 1 d R .
C7 C -0.0131(4) -0.0650(3) 0.1761(3) 0.071(2) Uani 1 d . .
H7A H 0.0539(4) -0.1047(3) 0.1777(3) 0.080 Uiso 1 d R .
C8 C 0.0043(4) 0.0173(3) 0.1531(3) 0.0493(11) Uani 1 d . .
C9 C 0.2319(4) 0.0251(3) 0.1292(3) 0.0663(14) Uani 1 d . .
H9A H 0.2780(4) 0.0438(3) 0.0844(3) 0.080 Uiso 1 d R .
H9B H 0.2236(4) -0.0513(3) 0.0989(3) 0.080 Uiso 1 d R .
C10 C 0.3058(4) 0.0765(4) 0.2362(4) 0.092(2) Uani 1 d . .
H10A H 0.2572(4) 0.0618(4) 0.2823(4) 0.080 Uiso 1 d R .
H10B H 0.3193(4) 0.1526(4) 0.2646(4) 0.080 Uiso 1 d R .
C11 C 0.4311(5) 0.0348(5) 0.2336(5) 0.133(3) Uani 1 d . .
H11A H 0.4751(5) 0.0664(5) 0.3028(5) 0.080 Uiso 1 d R .
H11B H 0.4169(5) -0.0412(5) 0.2056(5) 0.080 Uiso 1 d R .
H11C H 0.4794(5) 0.0502(5) 0.1877(5) 0.080 Uiso 1 d R .
C12 C 0.1861(3) 0.3761(3) 0.2806(3) 0.0530(12) Uani 1 d . .
H12A H 0.2721(3) 0.4029(3) 0.2919(3) 0.080 Uiso 1 d R .
H12B H 0.1779(3) 0.3211(3) 0.3006(3) 0.080 Uiso 1 d R .
C13 C 0.1112(3) 0.4636(3) 0.3472(2) 0.0456(10) Uani 1 d . .
C14 C -0.0380(3) 0.5605(2) 0.4061(2) 0.0446(10) Uani 1 d . .
C15 C -0.1489(3) 0.6059(3) 0.4211(3) 0.0526(11) Uani 1 d . .
H15A H -0.2212(3) 0.5691(3) 0.3724(3) 0.080 Uiso 1 d R .
C16 C -0.1515(4) 0.7024(3) 0.5072(3) 0.0687(14) Uani 1 d . .
H16A H -0.2276(4) 0.7349(3) 0.5208(3) 0.080 Uiso 1 d R .
C17 C -0.0473(4) 0.7548(3) 0.5764(3) 0.075(2) Uani 1 d . .
H17A H -0.0515(4) 0.8261(3) 0.6325(3) 0.080 Uiso 1 d R .
C18 C 0.0617(4) 0.7099(3) 0.5661(3) 0.0677(15) Uani 1 d . .
H18A H 0.1318(4) 0.7453(3) 0.6178(3) 0.080 Uiso 1 d R .
C19 C 0.0672(4) 0.6130(3) 0.4791(2) 0.0487(11) Uani 1 d . .
C20 C 0.2874(4) 0.5739(3) 0.4875(3) 0.0638(13) Uani 1 d . .
H20A H 0.3230(4) 0.5085(3) 0.4696(3) 0.080 Uiso 1 d R .
H20B H 0.2883(4) 0.6135(3) 0.5632(3) 0.080 Uiso 1 d R .
C21 C 0.3672(4) 0.6406(4) 0.4511(4) 0.102(2) Uani 1 d . .
H21A H 0.3356(4) 0.7085(4) 0.4744(4) 0.080 Uiso 1 d R .
H21B H 0.3596(4) 0.6038(4) 0.3750(4) 0.080 Uiso 1 d R .
C22 C 0.4983(6) 0.6576(5) 0.4898(5) 0.149(3) Uani 1 d . .
H22A H 0.5448(6) 0.6987(5) 0.4643(5) 0.080 Uiso 1 d R .
H22B H 0.5057(6) 0.6953(5) 0.5658(5) 0.080 Uiso 1 d R .
H22C H 0.5298(6) 0.5896(5) 0.4656(5) 0.080 Uiso 1 d R .
C23 C 0.1814(3) 0.3995(3) 0.1244(3) 0.0590(12) Uani 1 d . .
H23A H 0.2632(3) 0.3862(3) 0.1025(3) 0.080 Uiso 1 d R .
H23B H 0.1842(3) 0.4730(3) 0.1778(3) 0.080 Uiso 1 d R .
C24 C 0.0922(3) 0.3782(2) 0.0316(2) 0.0468(10) Uani 1 d . .
C25 C -0.0733(3) 0.3336(2) -0.0741(2) 0.0456(10) Uani 1 d . .
C26 C -0.1917(4) 0.2988(3) -0.1234(3) 0.0599(12) Uani 1 d . .
H26A H -0.2572(4) 0.2806(3) -0.0907(3) 0.080 Uiso 1 d R .
C27 C -0.2094(4) 0.2910(3) -0.2230(3) 0.0750(15) Uani 1 d . .
H27A H -0.2904(4) 0.2661(3) -0.2608(3) 0.080 Uiso 1 d R .
C28 C -0.1159(4) 0.3188(4) -0.2687(3) 0.085(2) Uani 1 d . .
H28A H -0.1335(4) 0.3121(4) -0.3376(3) 0.080 Uiso 1 d R .
C29 C 0.0018(4) 0.3533(3) -0.2202(3) 0.0792(14) Uani 1 d . .
H29A H 0.0667(4) 0.3723(3) -0.2527(3) 0.080 Uiso 1 d R .
C30 C 0.0214(3) 0.3610(2) -0.1207(2) 0.0473(10) Uani 1 d . .
C31 C 0.2487(4) 0.4300(3) -0.0660(3) 0.0634(13) Uani 1 d . .
H31A H 0.2971(4) 0.4659(3) 0.0014(3) 0.080 Uiso 1 d R .
H31B H 0.2403(4) 0.4805(3) -0.0914(3) 0.080 Uiso 1 d R .
C32 C 0.3180(4) 0.3403(3) -0.1427(4) 0.079(2) Uani 1 d . .
H32A H 0.2692(4) 0.3041(3) -0.2099(4) 0.080 Uiso 1 d R .
H32B H 0.3268(4) 0.2901(3) -0.1170(4) 0.080 Uiso 1 d R .
C33 C 0.4436(5) 0.3826(5) -0.1547(5) 0.137(3) Uani 1 d . .
H33A H 0.4838(5) 0.3235(5) -0.2039(5) 0.080 Uiso 1 d R .
H33B H 0.4345(5) 0.4321(5) -0.1813(5) 0.080 Uiso 1 d R .
H33C H 0.4927(5) 0.4180(5) -0.0875(5) 0.080 Uiso 1 d R .
S1 S -0.41743(11) 0.33174(10) 0.19194(10) 0.0808(5) Uani 1 d . .
C34 C -0.4492(4) 0.2282(4) 0.0625(4) 0.091(2) Uani 1 d . .
O11 O -0.3180(4) 0.3949(4) 0.1858(5) 0.177(3) Uani 1 d U .
O12 O -0.3216(7) 0.2979(6) 0.2370(6) 0.120(3) Uiso 0.50 d PD 1
O13 O -0.5217(7) 0.3586(6) 0.2429(6) 0.121(3) Uiso 0.50 d PD 1
F13 F -0.3552(5) 0.1646(4) 0.0314(4) 0.099(2) Uiso 0.50 d PD 1
F12 F -0.5540(6) 0.1710(4) 0.0343(5) 0.113(2) Uiso 0.50 d PD 1
F11 F -0.4664(7) 0.2706(5) -0.0056(5) 0.130(2) Uiso 0.50 d PD 1
O12' O -0.4073(8) 0.2696(5) 0.2456(6) 0.117(3) Uiso 0.50 d PD 2
O13' O -0.5241(6) 0.3912(4) 0.2115(5) 0.082(2) Uiso 0.50 d PD 2
F13' F -0.3595(5) 0.1967(4) 0.0070(4) 0.090(2) Uiso 0.50 d PD 2
F12' F -0.5132(6) 0.1387(5) 0.0649(5) 0.118(2) Uiso 0.50 d PD 2
F11' F -0.5470(7) 0.2367(5) 0.0078(5) 0.136(3) Uiso 0.50 d PD 2
O1W O -0.3550(31) -0.0466(23) 0.4586(23) 0.257(14) Uiso 0.25 d P .
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'
Ag Ag -0.8971 1.1015 '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
N4 Ag1 N2 109.92(10) . . ?
N4 Ag1 N6 108.27(10) . . ?
N2 Ag1 N6 104.16(10) . . ?
N4 Ag1 O11 96.22(12) . . ?
N2 Ag1 O11 130.64(14) . . ?
N6 Ag1 O11 106.2(2) . . ?
C1 N1 C23 113.6(3) . . ?
C1 N1 C12 113.4(3) . . ?
C23 N1 C12 112.3(3) . . ?
C2 N2 C3 105.4(3) . . ?
C2 N2 Ag1 116.1(3) . . ?
C3 N2 Ag1 136.2(2) . . ?
C2 N3 C8 105.8(3) . . ?
C2 N3 C9 129.3(3) . . ?
C8 N3 C9 124.9(4) . . ?
C13 N4 C14 105.6(2) . . ?
C13 N4 Ag1 117.9(2) . . ?
C14 N4 Ag1 136.4(2) . . ?
C13 N5 C19 105.8(3) . . ?
C13 N5 C20 128.8(3) . . ?
C19 N5 C20 125.4(2) . . ?
C24 N6 C25 105.4(3) . . ?
C24 N6 Ag1 117.6(2) . . ?
C25 N6 Ag1 137.1(2) . . ?
C24 N7 C30 105.8(3) . . ?
C24 N7 C31 128.2(3) . . ?
C30 N7 C31 126.0(3) . . ?
N1 C1 C2 109.6(3) . . ?
N2 C2 N3 112.9(4) . . ?
N2 C2 C1 124.4(4) . . ?
N3 C2 C1 122.7(3) . . ?
C8 C3 C4 121.4(4) . . ?
C8 C3 N2 109.1(3) . . ?
C4 C3 N2 129.5(4) . . ?
C5 C4 C3 117.0(4) . . ?
C4 C5 C6 121.5(5) . . ?
C7 C6 C5 120.9(5) . . ?
C6 C7 C8 117.3(4) . . ?
C7 C8 C3 121.9(4) . . ?
C7 C8 N3 131.1(4) . . ?
C3 C8 N3 106.8(3) . . ?
N3 C9 C10 112.4(3) . . ?
C9 C10 C11 113.2(4) . . ?
N1 C12 C13 110.2(3) . . ?
N4 C13 N5 113.9(3) . . ?
N4 C13 C12 124.5(3) . . ?
N5 C13 C12 121.6(3) . . ?
C15 C14 N4 130.7(3) . . ?
C15 C14 C19 120.9(3) . . ?
N4 C14 C19 108.4(3) . . ?
C16 C15 C14 117.5(3) . . ?
C15 C16 C17 121.3(4) . . ?
C18 C17 C16 122.3(3) . . ?
C19 C18 C17 117.4(4) . . ?
C18 C19 N5 133.2(3) . . ?
C18 C19 C14 120.4(4) . . ?
N5 C19 C14 106.4(2) . . ?
N5 C20 C21 111.7(4) . . ?
C22 C21 C20 113.2(6) . . ?
N1 C23 C24 109.7(3) . . ?
N6 C24 N7 113.0(3) . . ?
N6 C24 C23 123.9(3) . . ?
N7 C24 C23 123.1(3) . . ?
C26 C25 N6 129.2(4) . . ?
C26 C25 C30 121.7(3) . . ?
N6 C25 C30 109.1(3) . . ?
C25 C26 C27 115.7(4) . . ?
C28 C27 C26 122.5(4) . . ?
C29 C28 C27 122.0(4) . . ?
C28 C29 C30 116.2(4) . . ?
N7 C30 C29 131.5(4) . . ?
N7 C30 C25 106.7(3) . . ?
C29 C30 C25 121.8(3) . . ?
N7 C31 C32 112.1(3) . . ?
C33 C32 C31 111.2(4) . . ?
O13 S1 O11 131.1(4) . . ?
O13 S1 O12 117.7(5) . . ?
O11 S1 O12 82.2(4) . . ?
O11 S1 O12' 123.6(4) . . ?
O11 S1 O13' 107.5(4) . . ?
O12' S1 O13' 115.5(4) . . ?
O13 S1 C34 112.2(3) . . ?
O11 S1 C34 103.7(3) . . ?
O12 S1 C34 104.5(3) . . ?
O12' S1 C34 99.1(3) . . ?
O13' S1 C34 104.6(3) . . ?
F13' C34 F11' 111.9(6) . . ?
F12 C34 F13 110.3(5) . . ?
F12 C34 F11 95.6(5) . . ?
F13 C34 F11 108.6(5) . . ?
F13' C34 F12' 108.6(5) . . ?
F11' C34 F12' 91.2(5) . . ?
F13' C34 S1 117.9(3) . . ?
F12 C34 S1 119.5(4) . . ?
F11' C34 S1 115.2(4) . . ?
F13 C34 S1 111.8(4) . . ?
F11 C34 S1 109.5(4) . . ?
F12' C34 S1 108.6(4) . . ?
S1 O11 Ag1 118.6(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
Ag1 N4 2.359(2) . ?
Ag1 N2 2.372(3) . ?
Ag1 N6 2.372(3) . ?
Ag1 O11 2.561(5) . ?
N1 C1 1.443(4) . ?
N1 C23 1.458(5) . ?
N1 C12 1.467(4) . ?
N2 C2 1.314(5) . ?
N2 C3 1.393(5) . ?
N3 C2 1.364(5) . ?
N3 C8 1.386(5) . ?
N3 C9 1.453(5) . ?
N4 C13 1.303(5) . ?
N4 C14 1.392(4) . ?
N5 C13 1.363(3) . ?
N5 C19 1.378(5) . ?
N5 C20 1.441(5) . ?
N6 C24 1.320(4) . ?
N6 C25 1.376(4) . ?
N7 C24 1.362(5) . ?
N7 C30 1.374(4) . ?
N7 C31 1.470(5) . ?
C1 C2 1.524(6) . ?
C3 C8 1.375(5) . ?
C3 C4 1.380(6) . ?
C4 C5 1.367(7) . ?
C5 C6 1.402(7) . ?
C6 C7 1.369(7) . ?
C7 C8 1.372(6) . ?
C9 C10 1.509(6) . ?
C10 C11 1.520(8) . ?
C12 C13 1.493(5) . ?
C14 C15 1.386(5) . ?
C14 C19 1.409(4) . ?
C15 C16 1.352(4) . ?
C16 C17 1.376(6) . ?
C17 C18 1.368(7) . ?
C18 C19 1.366(4) . ?
C20 C21 1.535(7) . ?
C21 C22 1.463(8) . ?
C23 C24 1.505(5) . ?
C25 C26 1.375(5) . ?
C25 C30 1.391(5) . ?
C26 C27 1.389(6) . ?
C27 C28 1.376(7) . ?
C28 C29 1.364(6) . ?
C29 C30 1.389(6) . ?
C31 C32 1.519(5) . ?
C32 C33 1.507(7) . ?
S1 O13 1.360(8) . ?
S1 O11 1.395(5) . ?
S1 O12 1.428(9) . ?
S1 O12' 1.437(9) . ?
S1 O13' 1.446(7) . ?
S1 C34 1.740(4) . ?
C34 F13' 1.262(7) . ?
C34 F12 1.281(7) . ?
C34 F11' 1.338(9) . ?
C34 F13 1.364(7) . ?
C34 F11 1.390(10) . ?
C34 F12' 1.431(9) . ?
