#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/57/4305760.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_4305760
loop_
_publ_author_name
'Peili Teo'
'L. L. Koh'
'T. S. Andy Hor'
_publ_section_title
;
Oligo- and Polymeric PdII and PtII Using Pyridyl Carboxylate Spacers for
Topology Control
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6464
_journal_page_last               6474
_journal_paper_doi               10.1021/ic8007238
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'C44.5 H35.5 Cl4.5 F3 N O5 P2 Pt S'
_chemical_formula_weight         1169.85
_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                95.181(4)
_cell_angle_beta                 102.305(4)
_cell_angle_gamma                102.492(4)
_cell_formula_units_Z            2
_cell_length_a                   11.255(2)
_cell_length_b                   12.468(3)
_cell_length_c                   17.168(4)
_cell_measurement_reflns_used    5815
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      27.13
_cell_measurement_theta_min      2.45
_cell_volume                     2274.5(9)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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      223(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0326
_diffrn_reflns_av_sigmaI/netI    0.0381
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            30020
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.69
_exptl_absorpt_coefficient_mu    3.523
_exptl_absorpt_correction_T_max  0.4611
_exptl_absorpt_correction_T_min  0.2263
_exptl_absorpt_correction_type   'Sadabs, (Sheldrick 2001)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.708
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1154
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.43
_exptl_crystal_size_min          0.26
_refine_diff_density_max         1.508
_refine_diff_density_min         -0.736
_refine_diff_density_rms         0.114
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     577
_refine_ls_number_reflns         10437
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.0366
_refine_ls_R_factor_gt           0.0318
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0459P)²+0.8425P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0771
_refine_ls_wR_factor_ref         0.0793
_reflns_number_gt                9478
_reflns_number_total             10437
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic8007238-file003_11.cif
_cod_data_source_block           7404_complex_6d
_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        2274.7(8)
_cod_original_formula_sum        'C44.50 H35.50 Cl4.50 F3 N O5 P2 Pt S'
_cod_database_code               4305760
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
Pt1 Pt 0.310685(11) 0.665202(10) 0.705777(7) 0.02240(5) Uani 1 1 d . . .
N1 N 0.2757(3) 0.7291(2) 0.59568(17) 0.0272(6) Uani 1 1 d . . .
P1 P 0.37730(8) 0.58572(7) 0.81488(5) 0.02319(17) Uani 1 1 d . . .
P2 P 0.16181(8) 0.72651(7) 0.75446(5) 0.02348(17) Uani 1 1 d . . .
O1 O 0.4448(2) 0.6193(2) 0.65596(15) 0.0309(5) Uani 1 1 d . . .
O2 O 0.5335(3) 0.6380(3) 0.55237(18) 0.0487(7) Uani 1 1 d . . .
C1 C 0.1868(4) 0.7795(3) 0.5644(2) 0.0360(8) Uani 1 1 d . . .
H1 H 0.1271 0.7895 0.5934 0.043 Uiso 1 1 calc R . .
C2 C 0.1797(4) 0.8174(4) 0.4910(2) 0.0452(10) Uani 1 1 d . . .
H2 H 0.1166 0.8532 0.4709 0.054 Uiso 1 1 calc R . .
C3 C 0.2651(4) 0.8026(4) 0.4474(3) 0.0496(11) Uani 1 1 d . . .
H3 H 0.2615 0.8278 0.3972 0.060 Uiso 1 1 calc R . .
C4 C 0.3563(4) 0.7499(4) 0.4789(2) 0.0421(9) Uani 1 1 d . . .
H4 H 0.4161 0.7387 0.4503 0.051 Uiso 1 1 calc R . .
C5 C 0.3593(3) 0.7139(3) 0.5523(2) 0.0297(7) Uani 1 1 d . . .
C6 C 0.4550(3) 0.6537(3) 0.5882(2) 0.0314(7) Uani 1 1 d . . .
C1A C 0.5070(3) 0.5222(3) 0.8081(2) 0.0286(7) Uani 1 1 d . . .
C2A C 0.6243(4) 0.5604(4) 0.8619(3) 0.0426(9) Uani 1 1 d . . .
H2A H 0.6403 0.6240 0.9000 0.051 Uiso 1 1 calc R . .
C3A C 0.7173(4) 0.5037(5) 0.8588(3) 0.0545(12) Uani 1 1 d . . .
H3A H 0.7966 0.5295 0.8945 0.065 Uiso 1 1 calc R . .
C4A C 0.6938(4) 0.4106(4) 0.8039(3) 0.0531(12) Uani 1 1 d . . .
H4A H 0.7565 0.3718 0.8027 0.064 Uiso 1 1 calc R . .
C5A C 0.5793(4) 0.3737(4) 0.7505(3) 0.0481(10) Uani 1 1 d . . .
H5A H 0.5646 0.3103 0.7124 0.058 Uiso 1 1 calc R . .
C6A C 0.4853(4) 0.4284(3) 0.7519(3) 0.0396(9) Uani 1 1 d . . .
H6A H 0.4070 0.4023 0.7151 0.048 Uiso 1 1 calc R . .
C1B C 0.2612(3) 0.4686(3) 0.8301(2) 0.0271(7) Uani 1 1 d . . .
C2B C 0.2895(4) 0.4097(3) 0.8941(2) 0.0368(8) Uani 1 1 d . . .
H2B H 0.3687 0.4311 0.9303 0.044 Uiso 1 1 calc R . .
C3B C 0.2005(4) 0.3196(3) 0.9041(3) 0.0430(9) Uani 1 1 d . . .
H3B H 0.2193 0.2806 0.9477 0.052 Uiso 1 1 calc R . .
C4B C 0.0839(4) 0.2862(3) 0.8503(3) 0.0412(9) Uani 1 1 d . . .
H4B H 0.0236 0.2256 0.8581 0.049 Uiso 1 1 calc R . .
C5B C 0.0570(4) 0.3412(3) 0.7864(3) 0.0420(9) Uani 1 1 d . . .
H5B H -0.0214 0.3180 0.7494 0.050 Uiso 1 1 calc R . .
C6B C 0.1468(3) 0.4330(3) 0.7757(2) 0.0345(8) Uani 1 1 d . . .
H6B H 0.1284 0.4702 0.7310 0.041 Uiso 1 1 calc R . .
C1C C 0.4389(3) 0.6870(3) 0.9052(2) 0.0258(7) Uani 1 1 d . . .
C2C C 0.4248(3) 0.6682(3) 0.9815(2) 0.0318(7) Uani 1 1 d . . .
H2C H 0.3768 0.5999 0.9888 0.038 Uiso 1 1 calc R . .
C3C C 0.4814(4) 0.7500(4) 1.0470(2) 0.0449(10) Uani 1 1 d . . .
H3C H 0.4716 0.7367 1.0985 0.054 Uiso 1 1 calc R . .
C4C C 0.5516(5) 0.8503(4) 1.0374(3) 0.0531(12) Uani 1 1 d . . .
H4C H 0.5898 0.9054 1.0822 0.064 Uiso 1 1 calc R . .
C5C C 0.5658(4) 0.8702(4) 0.9615(3) 0.0489(11) Uani 1 1 d . . .
H5C H 0.6133 0.9390 0.9545 0.059 Uiso 1 1 calc R . .
C6C C 0.5103(4) 0.7887(3) 0.8958(2) 0.0361(8) Uani 1 1 d . . .
H6C H 0.5209 0.8022 0.8444 0.043 Uiso 1 1 calc R . .
C1D C 0.1549(3) 0.7256(3) 0.8593(2) 0.0250(7) Uani 1 1 d . . .
C2D C 0.2226(3) 0.8174(3) 0.9162(2) 0.0309(7) Uani 1 1 d . . .
H2D H 0.2709 0.8789 0.9000 0.037 Uiso 1 1 calc R . .
C3D C 0.2193(4) 0.8184(3) 0.9963(2) 0.0370(8) Uani 1 1 d . . .
H3D H 0.2669 0.8796 1.0345 0.044 Uiso 1 1 calc R . .
C4D C 0.1462(4) 0.7298(3) 1.0204(2) 0.0392(9) Uani 1 1 d . . .
H4D H 0.1431 0.7309 1.0747 0.047 Uiso 1 1 calc R . .
C5D C 0.0775(4) 0.6391(3) 0.9641(3) 0.0432(10) Uani 1 1 d . . .
H5D H 0.0275 0.5788 0.9805 0.052 Uiso 1 1 calc R . .
C6D C 0.0815(3) 0.6362(3) 0.8841(2) 0.0340(8) Uani 1 1 d . . .
H6D H 0.0348 0.5741 0.8464 0.041 Uiso 1 1 calc R . .
C1E C 0.0053(3) 0.6514(3) 0.6973(2) 0.0274(7) Uani 1 1 d . . .
C2E C -0.1017(3) 0.6661(3) 0.7216(2) 0.0323(8) Uani 1 1 d . . .
H2E H -0.0932 0.7141 0.7690 0.039 Uiso 1 1 calc R . .
C3E C -0.2200(4) 0.6108(3) 0.6765(3) 0.0393(9) Uani 1 1 d . . .
H3E H -0.2915 0.6227 0.6924 0.047 Uiso 1 1 calc R . .
C4E C -0.2326(4) 0.5382(3) 0.6080(3) 0.0428(9) Uani 1 1 d . . .
H4E H -0.3129 0.5000 0.5776 0.051 Uiso 1 1 calc R . .
C5E C -0.1284(4) 0.5213(3) 0.5843(2) 0.0409(9) Uani 1 1 d . . .
H5E H -0.1378 0.4712 0.5378 0.049 Uiso 1 1 calc R . .
C6E C -0.0092(3) 0.5778(3) 0.6283(2) 0.0315(7) Uani 1 1 d . . .
H6E H 0.0617 0.5661 0.6114 0.038 Uiso 1 1 calc R . .
C1F C 0.1793(3) 0.8730(3) 0.7445(2) 0.0273(7) Uani 1 1 d . . .
C2F C 0.0783(4) 0.9222(3) 0.7374(2) 0.0361(8) Uani 1 1 d . . .
H2F H -0.0027 0.8788 0.7339 0.043 Uiso 1 1 calc R . .
C3F C 0.0978(4) 1.0359(3) 0.7353(3) 0.0434(9) Uani 1 1 d . . .
H3F H 0.0295 1.0690 0.7303 0.052 Uiso 1 1 calc R . .
C4F C 0.2148(4) 1.1001(3) 0.7405(3) 0.0443(10) Uani 1 1 d . . .
H4F H 0.2268 1.1769 0.7395 0.053 Uiso 1 1 calc R . .
C5F C 0.3153(4) 1.0524(3) 0.7472(2) 0.0402(9) Uani 1 1 d . . .
H5F H 0.3957 1.0968 0.7506 0.048 Uiso 1 1 calc R . .
C6F C 0.2983(4) 0.9390(3) 0.7491(2) 0.0333(8) Uani 1 1 d . . .
H6F H 0.3672 0.9067 0.7534 0.040 Uiso 1 1 calc R . .
S1 S -0.31492(13) 1.07066(10) 0.76081(8) 0.0584(3) Uani 1 1 d . . .
O3 O -0.3765(4) 1.0439(4) 0.8227(2) 0.0969(15) Uani 1 1 d . . .
O4 O -0.3933(7) 1.1168(5) 0.7013(4) 0.137(3) Uani 1 1 d . . .
O5 O -0.1942(6) 1.1269(7) 0.7766(5) 0.214(5) Uani 1 1 d . . .
C7 C -0.3262(6) 0.9421(5) 0.7028(5) 0.082(2) Uani 1 1 d . . .
F1 F -0.4325(5) 0.8780(4) 0.6881(4) 0.172(3) Uani 1 1 d . . .
F2 F -0.2562(8) 0.8863(6) 0.7476(6) 0.246(5) Uani 1 1 d . . .
F3 F -0.2793(6) 0.9537(4) 0.6423(3) 0.157(2) Uani 1 1 d . . .
C2S C 0.2384(5) 0.2372(6) 0.5175(3) 0.0732(17) Uani 1 1 d . . .
H2S H 0.2858 0.2843 0.4854 0.088 Uiso 1 1 calc R . .
Cl2A Cl 0.10894(15) 0.14465(19) 0.45184(10) 0.0994(7) Uani 1 1 d . . .
Cl2B Cl 0.18654(17) 0.32275(16) 0.58302(9) 0.0902(5) Uani 1 1 d . . .
Cl2C Cl 0.33658(13) 0.16394(16) 0.57092(9) 0.0850(5) Uani 1 1 d . . .
C1S C 0.0681(10) 1.0277(8) 1.0367(6) 0.054(2) Uani 0.50 1 d P A -1
H1S H 0.1311 0.9876 1.0600 0.065 Uiso 0.50 1 calc PR A -1
Cl1A Cl 0.0611(10) 1.0264(8) 0.9342(5) 0.095(3) Uani 0.50 1 d P A -1
Cl1B Cl 0.1129(3) 1.1643(2) 1.08483(17) 0.0679(7) Uani 0.50 1 d P A -1
Cl1C Cl -0.0805(7) 0.9603(6) 1.0506(5) 0.086(2) Uani 0.50 1 d P A -1
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'
N N 0.0061 0.0033 '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'
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'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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
O1 Pt1 N1 79.86(10) . . ?
O1 Pt1 P1 89.16(7) . . ?
N1 Pt1 P1 169.02(8) . . ?
O1 Pt1 P2 175.47(7) . . ?
N1 Pt1 P2 95.93(8) . . ?
P1 Pt1 P2 95.05(3) . . ?
C1 N1 C5 117.9(3) . . ?
C1 N1 Pt1 130.5(2) . . ?
C5 N1 Pt1 111.6(2) . . ?
C1C P1 C1B 111.37(16) . . ?
C1C P1 C1A 103.79(16) . . ?
C1B P1 C1A 101.41(16) . . ?
C1C P1 Pt1 111.75(11) . . ?
C1B P1 Pt1 113.92(12) . . ?
C1A P1 Pt1 113.75(12) . . ?
C1D P2 C1F 101.96(15) . . ?
C1D P2 C1E 104.45(16) . . ?
C1F P2 C1E 108.04(16) . . ?
C1D P2 Pt1 121.76(11) . . ?
C1F P2 Pt1 108.83(11) . . ?
C1E P2 Pt1 110.86(11) . . ?
C6 O1 Pt1 116.1(2) . . ?
N1 C1 C2 122.3(4) . . ?
C3 C2 C1 119.7(4) . . ?
C2 C3 C4 118.4(4) . . ?
C5 C4 C3 119.6(4) . . ?
N1 C5 C4 122.1(3) . . ?
N1 C5 C6 116.3(3) . . ?
C4 C5 C6 121.6(3) . . ?
O2 C6 O1 124.5(3) . . ?
O2 C6 C5 119.6(3) . . ?
O1 C6 C5 115.9(3) . . ?
C6A C1A C2A 119.4(3) . . ?
C6A C1A P1 118.8(3) . . ?
C2A C1A P1 121.6(3) . . ?
C3A C2A C1A 119.6(4) . . ?
C4A C3A C2A 120.2(4) . . ?
C3A C4A C5A 120.2(4) . . ?
C4A C5A C6A 120.9(4) . . ?
C5A C6A C1A 119.6(4) . . ?
C6B C1B C2B 119.2(3) . . ?
C6B C1B P1 120.1(3) . . ?
C2B C1B P1 120.6(3) . . ?
C3B C2B C1B 119.8(4) . . ?
C2B C3B C4B 120.6(4) . . ?
C5B C4B C3B 119.9(4) . . ?
C4B C5B C6B 119.9(4) . . ?
C1B C6B C5B 120.5(4) . . ?
C2C C1C C6C 119.0(3) . . ?
C2C C1C P1 125.1(3) . . ?
C6C C1C P1 115.8(3) . . ?
C3C C2C C1C 120.1(4) . . ?
C4C C3C C2C 120.7(4) . . ?
C3C C4C C5C 119.7(4) . . ?
C6C C5C C4C 120.0(4) . . ?
C5C C6C C1C 120.5(4) . . ?
C6D C1D C2D 119.1(3) . . ?
C6D C1D P2 121.5(3) . . ?
C2D C1D P2 119.4(3) . . ?
C3D C2D C1D 120.4(3) . . ?
C4D C3D C2D 120.2(4) . . ?
C3D C4D C5D 119.7(3) . . ?
C6D C5D C4D 120.7(3) . . ?
C5D C6D C1D 119.9(4) . . ?
C6E C1E C2E 118.7(3) . . ?
C6E C1E P2 120.0(3) . . ?
C2E C1E P2 121.3(3) . . ?
C3E C2E C1E 120.6(3) . . ?
C4E C3E C2E 119.8(4) . . ?
C5E C4E C3E 120.2(4) . . ?
C4E C5E C6E 120.5(4) . . ?
C5E C6E C1E 120.1(3) . . ?
C2F C1F C6F 119.1(3) . . ?
C2F C1F P2 121.7(3) . . ?
C6F C1F P2 119.1(3) . . ?
C3F C2F C1F 119.7(4) . . ?
C4F C3F C2F 120.9(4) . . ?
C3F C4F C5F 120.0(4) . . ?
C4F C5F C6F 120.2(4) . . ?
C5F C6F C1F 120.1(4) . . ?
O5 S1 O3 122.2(4) . . ?
O5 S1 O4 111.4(6) . . ?
O3 S1 O4 109.4(3) . . ?
O5 S1 C7 106.5(4) . . ?
O3 S1 C7 105.7(3) . . ?
O4 S1 C7 98.8(4) . . ?
F1 C7 F3 114.9(7) . . ?
F1 C7 F2 102.0(7) . . ?
F3 C7 F2 104.3(6) . . ?
F1 C7 S1 113.4(4) . . ?
F3 C7 S1 112.7(4) . . ?
F2 C7 S1 108.3(7) . . ?
Cl2C C2S Cl2A 110.1(4) . . ?
Cl2C C2S Cl2B 111.1(3) . . ?
Cl2A C2S Cl2B 109.5(3) . . ?
Cl1B C1S Cl1A 109.6(6) . . ?
Cl1B C1S Cl1C 110.3(6) . . ?
Cl1A C1S Cl1C 109.8(7) . . ?
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
Pt1 O1 2.043(2) . ?
Pt1 N1 2.110(3) . ?
Pt1 P1 2.2607(9) . ?
Pt1 P2 2.2641(9) . ?
N1 C1 1.338(5) . ?
N1 C5 1.352(4) . ?
P1 C1C 1.814(3) . ?
P1 C1B 1.816(3) . ?
P1 C1A 1.824(3) . ?
P2 C1D 1.819(3) . ?
P2 C1F 1.821(3) . ?
P2 C1E 1.824(3) . ?
O1 C6 1.295(4) . ?
O2 C6 1.217(4) . ?
C1 C2 1.377(5) . ?
C2 C3 1.369(6) . ?
C3 C4 1.378(6) . ?
C4 C5 1.370(5) . ?
C5 C6 1.501(5) . ?
C1A C6A 1.390(5) . ?
C1A C2A 1.397(5) . ?
C2A C3A 1.391(6) . ?
C3A C4A 1.367(7) . ?
C4A C5A 1.369(7) . ?
C5A C6A 1.381(5) . ?
C1B C6B 1.377(5) . ?
C1B C2B 1.395(5) . ?
C2B C3B 1.384(5) . ?
C3B C4B 1.387(6) . ?
C4B C5B 1.361(6) . ?
C5B C6B 1.407(5) . ?
C1C C2C 1.387(5) . ?
C1C C6C 1.390(5) . ?
C2C C3C 1.384(6) . ?
C3C C4C 1.371(6) . ?
C4C C5C 1.384(6) . ?
C5C C6C 1.382(6) . ?
C1D C6D 1.393(5) . ?
C1D C2D 1.396(5) . ?
C2D C3D 1.383(5) . ?
C3D C4D 1.379(5) . ?
C4D C5D 1.385(6) . ?
C5D C6D 1.382(5) . ?
C1E C6E 1.390(5) . ?
C1E C2E 1.398(5) . ?
C2E C3E 1.384(5) . ?
C3E C4E 1.380(6) . ?
C4E C5E 1.371(6) . ?
C5E C6E 1.389(5) . ?
C1F C2F 1.393(5) . ?
C1F C6F 1.395(5) . ?
C2F C3F 1.392(5) . ?
C3F C4F 1.366(6) . ?
C4F C5F 1.376(6) . ?
C5F C6F 1.390(5) . ?
S1 O5 1.344(5) . ?
S1 O3 1.413(4) . ?
S1 O4 1.447(6) . ?
S1 C7 1.773(6) . ?
C7 F1 1.248(7) . ?
C7 F3 1.268(7) . ?
C7 F2 1.332(9) . ?
C2S Cl2C 1.747(5) . ?
C2S Cl2A 1.750(6) . ?
C2S Cl2B 1.754(6) . ?
C1S Cl1B 1.742(10) . ?
C1S Cl1A 1.742(12) . ?
C1S Cl1C 1.778(12) . ?
