#------------------------------------------------------------------------------
#$Date: 2016-03-23 20:41:30 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179419 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/16/4331662.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_4331662
loop_
_publ_author_name
Yi,
'Zhang, Qian-Feng'
'Lam, Tony C. H.'
'Chan, Eddie Y. Y.'
'Williams, Ian D.'
'Leung, Wa-Hung'
_publ_section_title
;
 Phosphato, Chromato, and Perrhenato Complexes of Titanium(IV) and
 Zirconium(IV) Containing Kläui's Tripodal Ligand
;
_journal_issue                   1
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              328
_journal_page_last               335
_journal_paper_doi               10.1021/ic051329u
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C38 H84 Co2 F12 O38 P6 S4 Zr2'
_chemical_formula_weight         1991.41
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 98.823(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.7936(16)
_cell_length_b                   14.5828(18)
_cell_length_c                   22.458(3)
_cell_measurement_reflns_used    4681
_cell_measurement_temperature    250(2)
_cell_measurement_theta_max      24.09
_cell_measurement_theta_min      2.22
_cell_volume                     4140.3(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      250(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_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  0.0487
_diffrn_reflns_av_sigmaI/netI    0.0620
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            21587
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.67
_exptl_absorpt_coefficient_mu    0.961
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.69
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.597
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2024
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.679
_refine_diff_density_min         -0.514
_refine_diff_density_rms         0.085
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     459
_refine_ls_number_reflns         7632
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0829
_refine_ls_R_factor_gt           0.0479
_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)+(0.0640P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1124
_refine_ls_wR_factor_ref         0.1227
_reflns_number_gt                5188
_reflns_number_total             7632
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic051329usup7.cif
_cod_data_source_block           yxy49
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        4140.4(9)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               4331662
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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
Co1 Co 0.50214(5) 0.27718(4) 0.69793(3) 0.05481(19) Uani 1 1 d . . .
Zr1 Zr 0.43701(3) 0.46166(2) 0.560897(16) 0.03170(12) Uani 1 1 d . . .
P1 P 0.47009(11) 0.24015(8) 0.60439(6) 0.0548(3) Uani 1 1 d . . .
P2 P 0.36644(10) 0.36609(9) 0.68659(6) 0.0582(3) Uani 1 1 d . . .
P3 P 0.60339(9) 0.38923(8) 0.68131(5) 0.0511(3) Uani 1 1 d . . .
O1 O 0.5524(3) 0.1728(2) 0.58397(18) 0.0924(13) Uani 1 1 d . . .
O2 O 0.3653(3) 0.1796(2) 0.59276(17) 0.0812(11) Uani 1 1 d . . .
O3 O 0.2613(3) 0.3138(4) 0.6915(2) 0.1181(18) Uani 1 1 d . . .
O4 O 0.3808(3) 0.4328(3) 0.74277(16) 0.1005(14) Uani 1 1 d . . .
O5 O 0.6341(3) 0.4507(3) 0.73867(15) 0.0777(10) Uani 1 1 d . . .
O6 O 0.7125(2) 0.3482(2) 0.66937(17) 0.0748(10) Uani 1 1 d D A .
O7 O 0.4556(2) 0.31888(17) 0.55938(12) 0.0478(7) Uani 1 1 d . . .
O8 O 0.3470(2) 0.42378(19) 0.62969(12) 0.0468(7) Uani 1 1 d . . .
O9 O 0.5640(2) 0.45410(19) 0.62923(12) 0.0479(7) Uani 1 1 d . . .
O10 O 0.52342(19) 0.56789(17) 0.52608(11) 0.0391(6) Uani 1 1 d . . .
H10A H 0.5406 0.6175 0.5449 0.047 Uiso 1 1 d R . .
O11 O 0.2805(2) 0.46234(19) 0.50850(13) 0.0494(7) Uani 1 1 d . . .
H11C H 0.2318 0.4674 0.5301 0.059 Uiso 1 1 d R . .
H11D H 0.2692 0.4163 0.4852 0.059 Uiso 1 1 d R . .
O12 O 0.3768(2) 0.59088(19) 0.59596(14) 0.0530(8) Uani 1 1 d . . .
H12D H 0.3097 0.5932 0.5920 0.064 Uiso 1 1 d R . .
H12E H 0.4015 0.6389 0.5817 0.064 Uiso 1 1 d R . .
C1 C 0.5817(8) 0.1583(5) 0.7263(3) 0.098(2) Uani 1 1 d . . .
H1A H 0.6232 0.1210 0.7014 0.118 Uiso 1 1 calc R . .
C2 C 0.4811(9) 0.1473(6) 0.7284(4) 0.119(3) Uani 1 1 d . . .
H2A H 0.4355 0.0999 0.7061 0.143 Uiso 1 1 calc R . .
C3 C 0.4487(8) 0.2098(9) 0.7671(5) 0.137(4) Uani 1 1 d . . .
H3A H 0.3777 0.2147 0.7791 0.164 Uiso 1 1 calc R . .
C4 C 0.5404(12) 0.2630(5) 0.7896(3) 0.125(4) Uani 1 1 d . . .
H4A H 0.5465 0.3120 0.8204 0.150 Uiso 1 1 calc R . .
C5 C 0.6204(7) 0.2263(7) 0.7616(4) 0.105(2) Uani 1 1 d . . .
H5A H 0.6949 0.2470 0.7679 0.126 Uiso 1 1 calc R . .
C11 C 0.6355(6) 0.1968(5) 0.5520(4) 0.117(3) Uani 1 1 d . . .
H11A H 0.6858 0.2365 0.5773 0.140 Uiso 1 1 calc R . .
H11B H 0.6064 0.2316 0.5159 0.140 Uiso 1 1 calc R . .
C12 C 0.6904(6) 0.1179(5) 0.5345(4) 0.124(3) Uani 1 1 d . . .
H12A H 0.7460 0.1375 0.5124 0.186 Uiso 1 1 calc R . .
H12B H 0.6412 0.0787 0.5090 0.186 Uiso 1 1 calc R . .
H12C H 0.7213 0.0843 0.5701 0.186 Uiso 1 1 calc R . .
C13 C 0.3238(8) 0.1466(6) 0.5339(3) 0.141(4) Uani 1 1 d . . .
H13A H 0.3334 0.1946 0.5047 0.170 Uiso 1 1 calc R . .
H13B H 0.3661 0.0937 0.5251 0.170 Uiso 1 1 calc R . .
C14 C 0.2211(8) 0.1216(9) 0.5248(4) 0.180(5) Uani 1 1 d . . .
H14A H 0.2020 0.0990 0.4839 0.270 Uiso 1 1 calc R . .
H14B H 0.1775 0.1741 0.5309 0.270 Uiso 1 1 calc R . .
H14C H 0.2100 0.0736 0.5531 0.270 Uiso 1 1 calc R . .
C15 C 0.1691(6) 0.3104(5) 0.6494(4) 0.122(3) Uani 1 1 d . . .
H15A H 0.1337 0.3701 0.6487 0.147 Uiso 1 1 calc R . .
H15B H 0.1886 0.3003 0.6094 0.147 Uiso 1 1 calc R . .
C16 C 0.0982(8) 0.2432(9) 0.6601(7) 0.266(8) Uani 1 1 d . . .
H16A H 0.0377 0.2441 0.6282 0.399 Uiso 1 1 calc R . .
H16B H 0.0749 0.2545 0.6985 0.399 Uiso 1 1 calc R . .
H16C H 0.1323 0.1837 0.6609 0.399 Uiso 1 1 calc R . .
C17 C 0.3044(8) 0.4991(7) 0.7566(3) 0.151(4) Uani 1 1 d . . .
H17A H 0.3285 0.5610 0.7485 0.181 Uiso 1 1 calc R . .
H17B H 0.2365 0.4886 0.7307 0.181 Uiso 1 1 calc R . .
C18 C 0.2908(8) 0.4924(8) 0.8166(4) 0.181(5) Uani 1 1 d . . .
H18A H 0.2391 0.5373 0.8251 0.271 Uiso 1 1 calc R . .
H18B H 0.3577 0.5039 0.8422 0.271 Uiso 1 1 calc R . .
H18C H 0.2662 0.4313 0.8244 0.271 Uiso 1 1 calc R . .
C19 C 0.6192(6) 0.5475(4) 0.7413(3) 0.0919(19) Uani 1 1 d . . .
H19A H 0.5485 0.5638 0.7207 0.110 Uiso 1 1 calc R . .
H19B H 0.6716 0.5790 0.7211 0.110 Uiso 1 1 calc R . .
C20 C 0.6312(6) 0.5757(6) 0.8047(3) 0.125(3) Uani 1 1 d . . .
H20A H 0.6212 0.6415 0.8069 0.187 Uiso 1 1 calc R . .
H20B H 0.7015 0.5598 0.8247 0.187 Uiso 1 1 calc R . .
H20C H 0.5788 0.5446 0.8243 0.187 Uiso 1 1 calc R . .
C21 C 0.7960(5) 0.4102(5) 0.6560(4) 0.114(3) Uani 1 1 d D . .
C22 C 0.8920(15) 0.3824(15) 0.6580(11) 0.173(8) Uiso 0.50 1 d PD A 1
C22' C 0.8411(12) 0.3746(10) 0.6070(7) 0.106(4) Uiso 0.50 1 d P A 2
S1 S 0.09490(9) 0.59530(10) 0.59112(6) 0.0661(4) Uani 1 1 d . . .
O21 O 0.1865(2) 0.6193(3) 0.63290(16) 0.0731(10) Uani 1 1 d . . .
O22 O 0.1111(3) 0.5221(3) 0.5514(2) 0.1052(16) Uani 1 1 d . . .
O23 O 0.0007(3) 0.5888(3) 0.61789(18) 0.0838(11) Uani 1 1 d . . .
C1S C 0.0707(8) 0.6948(8) 0.5427(4) 0.137(3) Uani 1 1 d . . .
F1 F -0.0116(6) 0.6812(5) 0.5010(2) 0.204(3) Uani 1 1 d . . .
F2 F 0.0542(6) 0.7664(4) 0.5745(3) 0.197(3) Uani 1 1 d . . .
F3 F 0.1557(6) 0.7073(5) 0.5167(3) 0.216(3) Uani 1 1 d . . .
S2 S 0.57501(13) 0.77498(9) 0.63955(7) 0.0756(4) Uani 1 1 d . . .
O24 O 0.6816(4) 0.7762(4) 0.6293(4) 0.183(3) Uani 1 1 d . . .
O25 O 0.5671(8) 0.7515(4) 0.6977(2) 0.203(4) Uani 1 1 d . . .
O26 O 0.5084(3) 0.7349(3) 0.5905(2) 0.0913(12) Uani 1 1 d . . .
C2S C 0.5440(7) 0.8942(5) 0.6345(4) 0.099(2) Uani 1 1 d . . .
F4 F 0.5476(6) 0.9285(3) 0.5825(3) 0.184(3) Uani 1 1 d . . .
F5 F 0.4496(5) 0.9097(4) 0.6417(4) 0.220(4) Uani 1 1 d . . .
F6 F 0.6003(6) 0.9422(3) 0.6757(3) 0.198(3) Uani 1 1 d . . .
O1W O 0.2170(3) 0.3745(3) 0.41112(19) 0.1034(15) Uani 1 1 d . . .
H1WA H 0.2387 0.3229 0.4004 0.124 Uiso 1 1 d R . .
H1WB H 0.1505 0.3776 0.4001 0.124 Uiso 1 1 d R . .
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'
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'
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'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zr Zr -2.9673 0.5597 '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
C3 Co1 C2 39.1(4) . .
C3 Co1 C4 40.9(4) . .
C2 Co1 C4 66.1(3) . .
C3 Co1 C5 66.0(3) . .
C2 Co1 C5 63.5(3) . .
C4 Co1 C5 39.5(3) . .
C3 Co1 C1 64.4(3) . .
C2 Co1 C1 37.1(3) . .
C4 Co1 C1 64.8(3) . .
C5 Co1 C1 37.4(3) . .
C3 Co1 P1 126.0(5) . .
C2 Co1 P1 94.5(3) . .
C4 Co1 P1 159.5(2) . .
C5 Co1 P1 126.9(3) . .
C1 Co1 P1 95.8(2) . .
C3 Co1 P2 91.3(2) . .
C2 Co1 P2 116.9(4) . .
C4 Co1 P2 104.1(4) . .
C5 Co1 P2 142.6(3) . .
C1 Co1 P2 153.5(3) . .
P1 Co1 P2 90.36(5) . .
C3 Co1 P3 141.0(5) . .
C2 Co1 P3 150.9(3) . .
C4 Co1 P3 101.1(4) . .
C5 Co1 P3 89.8(2) . .
C1 Co1 P3 114.2(3) . .
P1 Co1 P3 92.92(5) . .
P2 Co1 P3 91.04(5) . .
O9 Zr1 O7 83.14(11) . .
O9 Zr1 O10 85.26(10) . .
O7 Zr1 O10 130.74(10) . .
O9 Zr1 O10 113.58(10) . 3_666
O7 Zr1 O10 75.01(10) . 3_666
O10 Zr1 O10 66.43(11) . 3_666
O9 Zr1 O8 84.17(10) . .
O7 Zr1 O8 80.21(10) . .
O10 Zr1 O8 145.56(10) . .
O10 Zr1 O8 147.03(10) 3_666 .
O9 Zr1 O11 164.80(10) . .
O7 Zr1 O11 95.37(11) . .
O10 Zr1 O11 106.72(10) . .
O10 Zr1 O11 80.37(10) 3_666 .
O8 Zr1 O11 80.67(11) . .
O9 Zr1 O12 93.33(11) . .
O7 Zr1 O12 153.27(10) . .
O10 Zr1 O12 74.94(10) . .
O10 Zr1 O12 129.65(10) 3_666 .
O8 Zr1 O12 73.07(10) . .
O11 Zr1 O12 81.19(10) . .
O9 Zr1 Zr1 100.99(7) . 3_666
O7 Zr1 Zr1 103.51(7) . 3_666
O10 Zr1 Zr1 33.35(7) . 3_666
O10 Zr1 Zr1 33.09(7) 3_666 3_666
O8 Zr1 Zr1 173.89(7) . 3_666
O11 Zr1 Zr1 94.07(8) . 3_666
O12 Zr1 Zr1 103.17(8) . 3_666
O7 P1 O1 107.38(18) . .
O7 P1 O2 107.18(19) . .
O1 P1 O2 101.1(2) . .
O7 P1 Co1 116.47(12) . .
O1 P1 Co1 114.20(18) . .
O2 P1 Co1 109.23(15) . .
O8 P2 O3 107.3(2) . .
O8 P2 O4 108.4(2) . .
O3 P2 O4 103.8(3) . .
O8 P2 Co1 117.31(11) . .
O3 P2 Co1 112.63(19) . .
O4 P2 Co1 106.46(16) . .
O9 P3 O5 106.64(19) . .
O9 P3 O6 107.50(17) . .
O5 P3 O6 103.9(2) . .
O9 P3 Co1 117.78(12) . .
O5 P3 Co1 111.89(15) . .
O6 P3 Co1 108.20(14) . .
C11 O1 P1 126.0(4) . .
C13 O2 P1 121.4(4) . .
C15 O3 P2 128.0(4) . .
C17 O4 P2 125.8(5) . .
C19 O5 P3 125.5(3) . .
C21 O6 P3 119.5(4) . .
P1 O7 Zr1 137.80(16) . .
P2 O8 Zr1 135.66(16) . .
P3 O9 Zr1 137.13(16) . .
Zr1 O10 Zr1 113.57(11) . 3_666
C2 C1 C5 110.5(9) . .
C2 C1 Co1 70.8(4) . .
C5 C1 Co1 71.0(4) . .
C1 C2 C3 109.8(9) . .
C1 C2 Co1 72.1(4) . .
C3 C2 Co1 70.3(4) . .
C2 C3 C4 105.9(8) . .
C2 C3 Co1 70.6(4) . .
C4 C3 Co1 69.9(4) . .
C5 C4 C3 104.7(8) . .
C5 C4 Co1 70.4(4) . .
C3 C4 Co1 69.2(4) . .
C1 C5 C4 109.1(8) . .
C1 C5 Co1 71.6(4) . .
C4 C5 Co1 70.1(4) . .
O1 C11 C12 112.3(6) . .
C14 C13 O2 116.4(7) . .
C16 C15 O3 114.6(9) . .
C18 C17 O4 110.6(7) . .
O5 C19 C20 108.9(6) . .
C22 C21 C22' 54.0(11) . .
C22 C21 O6 121.4(12) . .
C22' C21 O6 109.3(9) . .
O22 S1 O21 114.3(2) . .
O22 S1 O23 115.2(2) . .
O21 S1 O23 113.5(2) . .
O22 S1 C1S 104.6(4) . .
O21 S1 C1S 104.3(4) . .
O23 S1 C1S 103.2(3) . .
F2 C1S F1 109.4(9) . .
F2 C1S F3 110.2(11) . .
F1 C1S F3 109.3(8) . .
F2 C1S S1 109.9(6) . .
F1 C1S S1 110.6(9) . .
F3 C1S S1 107.4(7) . .
O25 S2 O26 121.2(4) . .
O25 S2 O24 111.8(6) . .
O26 S2 O24 111.0(3) . .
O25 S2 C2S 104.8(4) . .
O26 S2 C2S 104.6(3) . .
O24 S2 C2S 100.8(4) . .
F5 C2S F4 102.5(8) . .
F5 C2S F6 104.6(7) . .
F4 C2S F6 110.4(7) . .
F5 C2S S2 112.0(6) . .
F4 C2S S2 113.5(5) . .
F6 C2S S2 112.9(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 C3 2.042(6) .
Co1 C2 2.046(6) .
Co1 C4 2.051(6) .
Co1 C5 2.055(6) .
Co1 C1 2.062(6) .
Co1 P1 2.1468(15) .
Co1 P2 2.1505(14) .
Co1 P3 2.1531(13) .
Zr1 O9 2.060(3) .
Zr1 O7 2.097(3) .
Zr1 O10 2.121(2) .
Zr1 O10 2.136(2) 3_666
Zr1 O8 2.136(3) .
Zr1 O11 2.161(3) .
Zr1 O12 2.225(3) .
Zr1 Zr1 3.5613(7) 3_666
P1 O7 1.522(3) .
P1 O1 1.559(4) .
P1 O2 1.594(4) .
P2 O8 1.518(3) .
P2 O3 1.565(4) .
P2 O4 1.581(4) .
P3 O9 1.528(3) .
P3 O5 1.569(4) .
P3 O6 1.579(3) .
O1 C11 1.415(7) .
O2 C13 1.430(8) .
O3 C15 1.395(8) .
O4 C17 1.443(8) .
O5 C19 1.426(6) .
O6 C21 1.466(7) .
O10 Zr1 2.136(2) 3_666
C1 C2 1.305(10) .
C1 C5 1.319(10) .
C2 C3 1.367(12) .
C3 C4 1.431(13) .
C4 C5 1.387(12) .
C11 C12 1.434(8) .
C13 C14 1.348(10) .
C15 C16 1.382(10) .
C17 C18 1.388(10) .
C19 C20 1.467(8) .
C21 C22 1.287(18) .
C21 C22' 1.417(16) .
S1 O22 1.425(4) .
S1 O21 1.428(3) .
S1 O23 1.430(3) .
S1 C1S 1.811(10) .
C1S F2 1.301(10) .
C1S F1 1.311(10) .
C1S F3 1.323(9) .
S2 O25 1.368(5) .
S2 O26 1.412(4) .
S2 O24 1.417(6) .
S2 C2S 1.784(7) .
C2S F5 1.262(8) .
C2S F4 1.279(8) .
C2S F6 1.288(8) .
