#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:11:05 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179049 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/11/4301132.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_4301132
loop_
_publ_author_name
'Qing Wang'
'Jianyong Zhang'
'Chun-Feng Zhuang'
'Yu Tang'
'Cheng-Yong Su'
_publ_section_title
;
Guest Inclusion and Interpenetration Tuning of Cd(II)/Mn(II) Coordination
Grid Networks Assembled from a Rigid Linear Diimidazole Schiff Base Ligand
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              287
_journal_page_last               295
_journal_paper_doi               10.1021/ic801770n
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'C54 H45 Cd F6 N12 O6 S2'
_chemical_formula_weight         1248.54
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 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                 116.040(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.8224(9)
_cell_length_b                   20.2471(7)
_cell_length_c                   15.0929(6)
_cell_measurement_reflns_used    7690
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      29.7333
_cell_measurement_theta_min      2.8896
_cell_volume                     5442.6(4)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.4 (release 27-04-2006 CrysAlis171 .NET)
(compiled Apr 27 2007,17:53:11)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.32.4 (release 27-04-2006 CrysAlis171 .NET)
(compiled Apr 27 2007,17:53:11)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.4 (release 27-04-2006 CrysAlis171 .NET)
(compiled Apr 27 2007,17:53:11)
;
_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      153(2)
_diffrn_detector_area_resol_mean 16.0855
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'multiwire proportional'
_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  0.0308
_diffrn_reflns_av_sigmaI/netI    0.0383
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            15787
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.92
_exptl_absorpt_coefficient_mu    0.561
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.82764
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.524
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2540
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.503
_refine_diff_density_min         -0.556
_refine_diff_density_rms         0.064
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_hydrogen_treatment    geom
_refine_ls_matrix_type           full
_refine_ls_number_parameters     426
_refine_ls_number_reflns         5496
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.075
_refine_ls_R_factor_all          0.0464
_refine_ls_R_factor_gt           0.0325
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0572P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0906
_refine_ls_wR_factor_ref         0.0955
_reflns_number_gt                4022
_reflns_number_total             5496
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic801770n_si_001_06.cif
_cod_data_source_block           6
_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 2.4.1 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      'C 2/m'
_cod_database_code               4301132
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, 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
Cd1 Cd 0.0000 0.0000 0.0000 0.02389(11) Uani 1 4 d S . .
Cd2 Cd 1.0000 0.5000 1.0000 0.03477(12) Uani 1 4 d S . .
C1 C 0.85436(13) 0.39979(13) 0.9289(2) 0.0370(6) Uani 1 1 d . . .
H1A H 0.8263 0.4264 0.8749 0.044 Uiso 1 1 calc R . .
C2 C 0.88827(14) 0.31660(16) 1.03186(19) 0.0445(7) Uani 1 1 d . . .
H2A H 0.8892 0.2766 1.0627 0.053 Uiso 1 1 calc R . .
C3 C 0.94196(14) 0.36307(15) 1.0627(2) 0.0466(7) Uani 1 1 d . . .
H3A H 0.9870 0.3602 1.1196 0.056 Uiso 1 1 calc R . .
C4 C 0.76289(13) 0.30753(13) 0.88220(18) 0.0328(6) Uani 1 1 d . . .
C5 C 0.76001(14) 0.23965(13) 0.8745(2) 0.0381(7) Uani 1 1 d . . .
H5A H 0.8021 0.2145 0.9127 0.046 Uiso 1 1 calc R . .
C6 C 0.69444(14) 0.20897(13) 0.80993(19) 0.0377(6) Uani 1 1 d . . .
H6A H 0.6928 0.1631 0.8056 0.045 Uiso 1 1 calc R . .
C7 C 0.63078(13) 0.24545(12) 0.75118(18) 0.0316(6) Uani 1 1 d . . .
C8 C 0.63501(13) 0.31421(13) 0.76114(18) 0.0341(6) Uani 1 1 d . . .
H8A H 0.5932 0.3398 0.7232 0.041 Uiso 1 1 calc R . .
C9 C 0.70010(13) 0.34471(13) 0.82626(19) 0.0351(6) Uani 1 1 d . . .
H9A H 0.7017 0.3904 0.8325 0.042 Uiso 1 1 calc R . .
C10 C 0.55998(13) 0.21294(13) 0.67959(18) 0.0331(6) Uani 1 1 d . . .
C11 C 0.55600(16) 0.13912(14) 0.6704(2) 0.0545(8) Uani 1 1 d . . .
H11A H 0.5071 0.1264 0.6217 0.082 Uiso 1 1 calc R . .
H11B H 0.5650 0.1199 0.7328 0.082 Uiso 1 1 calc R . .
H11C H 0.5933 0.1238 0.6509 0.082 Uiso 1 1 calc R . .
C12 C 0.38922(14) 0.26332(12) 0.50888(19) 0.0320(6) Uani 1 1 d . . .
C13 C 0.39926(15) 0.33632(13) 0.5069(2) 0.0434(7) Uani 1 1 d . . .
H13A H 0.4486 0.3482 0.5554 0.065 Uiso 1 1 calc R . .
H13B H 0.3624 0.3583 0.5214 0.065 Uiso 1 1 calc R . .
H13C H 0.3933 0.3494 0.4427 0.065 Uiso 1 1 calc R . .
C14 C 0.31578(14) 0.23437(12) 0.43940(18) 0.0312(6) Uani 1 1 d . . .
C15 C 0.30728(14) 0.16597(13) 0.42944(19) 0.0360(6) Uani 1 1 d . . .
H15A H 0.3473 0.1388 0.4680 0.043 Uiso 1 1 calc R . .
C16 C 0.24054(14) 0.13764(13) 0.36342(18) 0.0371(6) Uani 1 1 d . . .
H16A H 0.2359 0.0920 0.3572 0.045 Uiso 1 1 calc R . .
C17 C 0.18068(13) 0.17811(13) 0.30675(17) 0.0317(6) Uani 1 1 d . . .
C18 C 0.18656(14) 0.24600(12) 0.31672(19) 0.0340(6) Uani 1 1 d . . .
H18A H 0.1457 0.2728 0.2797 0.041 Uiso 1 1 calc R . .
C19 C 0.25406(14) 0.27367(14) 0.38252(18) 0.0349(6) Uani 1 1 d . . .
H19A H 0.2582 0.3194 0.3888 0.042 Uiso 1 1 calc R . .
C20 C 0.10838(13) 0.09755(12) 0.17503(17) 0.0312(5) Uani 1 1 d . . .
H20A H 0.1499 0.0767 0.1743 0.037 Uiso 1 1 calc R . .
C21 C -0.00481(14) 0.12422(14) 0.14194(19) 0.0395(6) Uani 1 1 d . . .
H21A H -0.0570 0.1247 0.1128 0.047 Uiso 1 1 calc R . .
C22 C 0.03963(13) 0.16537(15) 0.2141(2) 0.0436(7) Uani 1 1 d . . .
H22A H 0.0242 0.1986 0.2436 0.052 Uiso 1 1 calc R . .
C23 C 0.8915(3) 0.5000 0.6406(4) 0.088(2) Uani 1 2 d S . .
C24 C 0.2715(2) 0.0000 0.1056(3) 0.0515(11) Uani 1 2 d S . .
C25 C 0.3385(2) 0.5000 0.4752(3) 0.0472(10) Uani 1 2 d S . .
H25A H 0.2884 0.5000 0.4287 0.057 Uiso 1 2 calc SR . .
C26 C 0.3552(3) 0.5000 0.5731(4) 0.0497(11) Uani 1 2 d S . .
H26A H 0.3167 0.5000 0.5926 0.060 Uiso 1 2 calc SR . .
C27 C 0.4305(3) 0.5000 0.6447(3) 0.0477(10) Uani 1 2 d S . .
H27A H 0.4413 0.5000 0.7113 0.057 Uiso 1 2 calc SR . .
C28 C 0.4887(2) 0.5000 0.6173(3) 0.0361(8) Uani 1 2 d S . .
C29 C 0.47082(18) 0.5000 0.5157(2) 0.0289(7) Uani 1 2 d S . .
C30 C 0.39445(19) 0.5000 0.4434(3) 0.0350(8) Uani 1 2 d S . .
C31 C 0.3783(2) 0.5000 0.3412(3) 0.0402(9) Uani 1 2 d S . .
H31A H 0.3287 0.5000 0.2935 0.048 Uiso 1 2 calc SR . .
C32 C 0.4346(2) 0.5000 0.3128(3) 0.0430(10) Uani 1 2 d S . .
H32A H 0.4226 0.5000 0.2459 0.052 Uiso 1 2 calc SR . .
N1 N 0.92093(11) 0.41575(11) 0.99799(16) 0.0389(5) Uani 1 1 d . . .
N2 N 0.83148(10) 0.33980(11) 0.94561(15) 0.0343(5) Uani 1 1 d . . .
N3 N 0.50615(11) 0.25252(10) 0.63029(16) 0.0330(5) Uani 1 1 d . . .
N4 N 0.43909(11) 0.22201(11) 0.56499(15) 0.0339(5) Uani 1 1 d . . .
N5 N 0.11264(10) 0.14846(10) 0.23563(14) 0.0324(5) Uani 1 1 d . . .
N6 N 0.03849(10) 0.08121(10) 0.11742(13) 0.0301(5) Uani 1 1 d . . .
S1 S 0.88659(7) 0.52964(7) 0.74281(9) 0.0367(3) Uani 0.50 1 d P . .
S2 S 0.18667(6) 0.02372(6) 0.00313(8) 0.0271(3) Uani 0.50 1 d P . .
F1 F 0.83599(15) 0.5000 0.55375(19) 0.0844(10) Uani 1 2 d S . .
F2 F 0.95558(14) 0.5000 0.6362(2) 0.0656(7) Uani 1 2 d S . .
F3 F 0.8838(3) 0.4222(2) 0.6477(4) 0.0772(12) Uani 0.50 1 d P . .
F4 F 0.26776(13) 0.0000 0.19120(16) 0.0681(8) Uani 1 2 d S . .
F5 F 0.2791(2) -0.07173(19) 0.0966(3) 0.0717(11) Uani 0.50 1 d P . .
F6 F 0.33170(15) 0.02300(18) 0.1111(3) 0.0618(13) Uani 0.50 1 d P . .
O1 O 0.8924(3) 0.5979(2) 0.7229(4) 0.0564(11) Uani 0.50 1 d P . .
O2 O 0.81610(14) 0.5000 0.7401(2) 0.0613(9) Uani 1 2 d S . .
O3 O 0.95151(14) 0.5000 0.82544(19) 0.0494(7) Uani 1 2 d S . .
O4 O 0.19670(15) 0.0000 -0.08184(18) 0.0424(7) Uani 1 2 d S . .
O5 O 0.12693(13) 0.0000 0.0149(2) 0.0553(8) Uani 1 2 d S . .
O6 O 0.18914(19) 0.09258(16) 0.0220(3) 0.0378(8) Uani 0.50 1 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'
Cd Cd -0.8075 1.2024 '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
N6 Cd1 N6 180.00(11) . 5 ?
N6 Cd1 N6 88.16(10) . 2 ?
N6 Cd1 N6 91.84(10) 5 2 ?
N6 Cd1 N6 91.84(10) . 6 ?
N6 Cd1 N6 88.16(10) 5 6 ?
N6 Cd1 N6 180.00(7) 2 6 ?
N6 Cd1 O5 92.95(6) . 5 ?
N6 Cd1 O5 87.05(6) 5 5 ?
N6 Cd1 O5 87.05(6) 2 5 ?
N6 Cd1 O5 92.95(6) 6 5 ?
N6 Cd1 O5 87.05(6) . . ?
N6 Cd1 O5 92.95(6) 5 . ?
N6 Cd1 O5 92.95(6) 2 . ?
N6 Cd1 O5 87.05(6) 6 . ?
O5 Cd1 O5 180.00(13) 5 . ?
N1 Cd2 N1 95.32(11) 6_565 . ?
N1 Cd2 N1 84.68(11) 6_565 5_767 ?
N1 Cd2 N1 180.00(8) . 5_767 ?
N1 Cd2 N1 180.000(1) 6_565 2_757 ?
N1 Cd2 N1 84.68(11) . 2_757 ?
N1 Cd2 N1 95.32(11) 5_767 2_757 ?
N1 Cd2 O3 87.50(7) 6_565 5_767 ?
N1 Cd2 O3 87.50(7) . 5_767 ?
N1 Cd2 O3 92.50(7) 5_767 5_767 ?
N1 Cd2 O3 92.50(7) 2_757 5_767 ?
N1 Cd2 O3 92.50(7) 6_565 . ?
N1 Cd2 O3 92.50(7) . . ?
N1 Cd2 O3 87.50(7) 5_767 . ?
N1 Cd2 O3 87.50(7) 2_757 . ?
O3 Cd2 O3 180.000(1) 5_767 . ?
N1 C1 N2 111.9(2) . . ?
N1 C1 H1A 124.0 . . ?
N2 C1 H1A 124.0 . . ?
C3 C2 N2 106.5(2) . . ?
C3 C2 H2A 126.8 . . ?
N2 C2 H2A 126.8 . . ?
C2 C3 N1 110.4(2) . . ?
C2 C3 H3A 124.8 . . ?
N1 C3 H3A 124.8 . . ?
C5 C4 C9 120.0(2) . . ?
C5 C4 N2 120.2(2) . . ?
C9 C4 N2 119.8(2) . . ?
C4 C5 C6 119.9(2) . . ?
C4 C5 H5A 120.1 . . ?
C6 C5 H5A 120.1 . . ?
C5 C6 C7 121.2(2) . . ?
C5 C6 H6A 119.4 . . ?
C7 C6 H6A 119.4 . . ?
C6 C7 C8 117.7(2) . . ?
C6 C7 C10 121.8(2) . . ?
C8 C7 C10 120.6(2) . . ?
C9 C8 C7 121.1(2) . . ?
C9 C8 H8A 119.5 . . ?
C7 C8 H8A 119.5 . . ?
C8 C9 C4 120.2(2) . . ?
C8 C9 H9A 119.9 . . ?
C4 C9 H9A 119.9 . . ?
N3 C10 C7 115.0(2) . . ?
N3 C10 C11 125.0(2) . . ?
C7 C10 C11 120.0(2) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N4 C12 C14 116.0(2) . . ?
N4 C12 C13 125.8(2) . . ?
C14 C12 C13 118.2(2) . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C19 C14 C15 117.9(2) . . ?
C19 C14 C12 122.0(2) . . ?
C15 C14 C12 120.0(2) . . ?
C16 C15 C14 121.4(2) . . ?
C16 C15 H15A 119.3 . . ?
C14 C15 H15A 119.3 . . ?
C15 C16 C17 119.2(2) . . ?
C15 C16 H16A 120.4 . . ?
C17 C16 H16A 120.4 . . ?
C18 C17 C16 120.8(2) . . ?
C18 C17 N5 120.3(2) . . ?
C16 C17 N5 118.9(2) . . ?
C17 C18 C19 119.2(2) . . ?
C17 C18 H18A 120.4 . . ?
C19 C18 H18A 120.4 . . ?
C18 C19 C14 121.3(3) . . ?
C18 C19 H19A 119.3 . . ?
C14 C19 H19A 119.3 . . ?
N6 C20 N5 111.9(2) . . ?
N6 C20 H20A 124.0 . . ?
N5 C20 H20A 124.0 . . ?
C22 C21 N6 110.1(2) . . ?
C22 C21 H21A 124.9 . . ?
N6 C21 H21A 124.9 . . ?
C21 C22 N5 106.4(2) . . ?
C21 C22 H22A 126.8 . . ?
N5 C22 H22A 126.8 . . ?
F1 C23 F2 111.4(4) . . ?
F1 C23 F3 90.2(3) . 6_565 ?
F2 C23 F3 97.4(2) . 6_565 ?
F1 C23 F3 90.2(3) . . ?
F2 C23 F3 97.4(2) . . ?
F3 C23 F3 164.0(5) 6_565 . ?
F1 C23 S1 124.1(3) . 6_565 ?
F2 C23 S1 119.6(3) . 6_565 ?
F3 C23 S1 104.1(3) 6_565 6_565 ?
F3 C23 S1 62.8(2) . 6_565 ?
F1 C23 S1 124.1(3) . . ?
F2 C23 S1 119.6(3) . . ?
F3 C23 S1 62.8(2) 6_565 . ?
F3 C23 S1 104.1(3) . . ?
S1 C23 S1 41.42(15) 6_565 . ?
F6 C24 F6 43.8(4) . 6 ?
F6 C24 F4 113.3(3) . . ?
F6 C24 F4 113.3(3) 6 . ?
F6 C24 F5 104.0(3) . . ?
F6 C24 F5 60.4(2) 6 . ?
F4 C24 F5 98.1(2) . . ?
F6 C24 F5 60.4(2) . 6 ?
F6 C24 F5 104.0(3) 6 6 ?
F4 C24 F5 98.1(2) . 6 ?
F5 C24 F5 161.1(4) . 6 ?
F6 C24 S2 132.0(3) . 6 ?
F6 C24 S2 117.9(3) 6 6 ?
F4 C24 S2 114.2(3) . 6 ?
F5 C24 S2 75.5(2) . 6 ?
F5 C24 S2 106.4(3) 6 6 ?
F6 C24 S2 117.9(3) . . ?
F6 C24 S2 132.0(3) 6 . ?
F4 C24 S2 114.2(3) . . ?
F5 C24 S2 106.4(3) . . ?
F5 C24 S2 75.5(2) 6 . ?
S2 C24 S2 31.32(10) 6 . ?
C26 C25 C30 121.5(4) . . ?
C26 C25 H25A 119.3 . . ?
C30 C25 H25A 119.3 . . ?
C25 C26 C27 120.3(4) . . ?
C25 C26 H26A 119.9 . . ?
C27 C26 H26A 119.9 . . ?
C28 C27 C26 120.7(4) . . ?
C28 C27 H27A 119.6 . . ?
C26 C27 H27A 119.6 . . ?
C27 C28 C29 118.6(3) . . ?
C27 C28 C32 122.5(4) . 5_666 ?
C29 C28 C32 118.9(3) . 5_666 ?
C28 C29 C30 120.5(3) . . ?
C28 C29 C29 120.4(4) . 5_666 ?
C30 C29 C29 119.2(4) . 5_666 ?
C25 C30 C29 118.4(3) . . ?
C25 C30 C31 122.6(3) . . ?
C29 C30 C31 119.0(3) . . ?
C32 C31 C30 121.0(3) . . ?
C32 C31 H31A 119.5 . . ?
C30 C31 H31A 119.5 . . ?
C31 C32 C28 121.6(3) . 5_666 ?
C31 C32 H32A 119.2 . . ?
C28 C32 H32A 119.2 5_666 . ?
C1 N1 C3 104.9(2) . . ?
C1 N1 Cd2 129.19(19) . . ?
C3 N1 Cd2 124.69(16) . . ?
C1 N2 C2 106.2(2) . . ?
C1 N2 C4 125.5(2) . . ?
C2 N2 C4 128.2(2) . . ?
C10 N3 N4 115.1(2) . . ?
C12 N4 N3 113.1(2) . . ?
C20 N5 C22 106.4(2) . . ?
C20 N5 C17 125.6(2) . . ?
C22 N5 C17 128.0(2) . . ?
C20 N6 C21 105.2(2) . . ?
C20 N6 Cd1 126.11(16) . . ?
C21 N6 Cd1 128.66(15) . . ?
S1 S1 O1 165.1(2) 6_565 . ?
S1 S1 O3 65.92(6) 6_565 . ?
O1 S1 O3 116.8(2) . . ?
S1 S1 O2 66.50(6) 6_565 . ?
O1 S1 O2 122.7(2) . . ?
O3 S1 O2 108.46(15) . . ?
S1 S1 C23 69.29(8) 6_565 . ?
O1 S1 C23 96.2(2) . . ?
O3 S1 C23 104.39(18) . . ?
O2 S1 C23 104.93(18) . . ?
S1 S1 F3 124.64(18) 6_565 6_565 ?
O1 S1 F3 41.4(2) . 6_565 ?
O3 S1 F3 129.5(2) . 6_565 ?
O2 S1 F3 121.0(2) . 6_565 ?
C23 S1 F3 55.57(18) . 6_565 ?
S2 S2 O5 69.32(6) 6 . ?
S2 S2 O6 169.15(15) 6 . ?
O5 S2 O6 106.01(16) . . ?
S2 S2 O4 70.83(5) 6 . ?
O5 S2 O4 117.40(15) . . ?
O6 S2 O4 119.52(16) . . ?
S2 S2 C24 74.34(5) 6 . ?
O5 S2 C24 109.64(16) . . ?
O6 S2 C24 98.89(16) . . ?
O4 S2 C24 103.46(17) . . ?
S2 S2 F5 119.00(12) 6 6 ?
O5 S2 F5 131.14(17) . 6 ?
O6 S2 F5 56.10(18) . 6 ?
O4 S2 F5 110.02(16) . 6 ?
C24 S2 F5 45.30(13) . 6 ?
O1 F3 C23 116.1(4) 6_565 . ?
O1 F3 S1 55.7(3) 6_565 6_565 ?
C23 F3 S1 61.6(2) . 6_565 ?
F6 F5 C24 51.8(2) 6 . ?
F6 F5 O6 141.8(3) 6 6 ?
C24 F5 O6 100.8(3) . 6 ?
F6 F5 S2 99.1(2) 6 6 ?
C24 F5 S2 59.2(2) . 6 ?
O6 F5 S2 44.16(15) 6 6 ?
F6 F6 C24 68.10(18) 6 . ?
F6 F6 F5 135.55(19) 6 6 ?
C24 F6 F5 67.8(2) . 6 ?
F3 O1 S1 82.8(3) 6_565 . ?
S1 O2 S1 47.01(13) 6_565 . ?
S1 O3 S1 48.17(13) 6_565 . ?
S1 O3 Cd2 135.89(15) 6_565 . ?
S1 O3 Cd2 135.89(15) . . ?
S2 O4 S2 38.35(11) 6 . ?
S2 O5 S2 41.36(12) . 6 ?
S2 O5 Cd1 156.22(10) . . ?
S2 O5 Cd1 156.22(10) 6 . ?
S2 O6 F5 79.7(2) . 6 ?
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
Cd1 N6 2.2889(19) . ?
Cd1 N6 2.2889(19) 5 ?
Cd1 N6 2.2889(19) 2 ?
Cd1 N6 2.2889(19) 6 ?
Cd1 O5 2.426(2) 5 ?
Cd1 O5 2.426(2) . ?
Cd2 N1 2.308(2) 6_565 ?
Cd2 N1 2.308(2) . ?
Cd2 N1 2.308(2) 5_767 ?
Cd2 N1 2.308(2) 2_757 ?
Cd2 O3 2.375(3) 5_767 ?
Cd2 O3 2.375(3) . ?
C1 N1 1.314(3) . ?
C1 N2 1.359(3) . ?
C1 H1A 0.9300 . ?
C2 C3 1.342(4) . ?
C2 N2 1.377(3) . ?
C2 H2A 0.9300 . ?
C3 N1 1.381(3) . ?
C3 H3A 0.9300 . ?
C4 C5 1.378(3) . ?
C4 C9 1.381(3) . ?
C4 N2 1.431(3) . ?
C5 C6 1.383(3) . ?
C5 H5A 0.9300 . ?
C6 C7 1.394(4) . ?
C6 H6A 0.9300 . ?
C7 C8 1.399(3) . ?
C7 C10 1.496(3) . ?
C8 C9 1.378(3) . ?
C8 H8A 0.9300 . ?
C9 H9A 0.9300 . ?
C10 N3 1.280(3) . ?
C10 C11 1.500(4) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 N4 1.288(3) . ?
C12 C14 1.491(3) . ?
C12 C13 1.494(3) . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 C19 1.395(4) . ?
C14 C15 1.395(3) . ?
C15 C16 1.384(3) . ?
C15 H15A 0.9300 . ?
C16 C17 1.386(3) . ?
C16 H16A 0.9300 . ?
C17 C18 1.382(3) . ?
C17 N5 1.435(3) . ?
C18 C19 1.387(3) . ?
C18 H18A 0.9300 . ?
C19 H19A 0.9300 . ?
C20 N6 1.314(3) . ?
C20 N5 1.356(3) . ?
C20 H20A 0.9300 . ?
C21 C22 1.347(4) . ?
C21 N6 1.382(3) . ?
C21 H21A 0.9300 . ?
C22 N5 1.380(3) . ?
C22 H22A 0.9300 . ?
C23 F1 1.290(5) . ?
C23 F2 1.301(5) . ?
C23 F3 1.591(4) 6_565 ?
C23 F3 1.591(4) . ?
C23 S1 1.697(5) 6_565 ?
C23 S1 1.697(5) . ?
C24 F6 1.249(4) . ?
C24 F6 1.249(4) 6 ?
C24 F4 1.327(4) . ?
C24 F5 1.472(4) . ?
C24 F5 1.472(4) 6 ?
C24 S2 1.779(4) 6 ?
C24 S2 1.779(4) . ?
C25 C26 1.365(6) . ?
C25 C30 1.390(5) . ?
C25 H25A 0.9300 . ?
C26 C27 1.406(6) . ?
C26 H26A 0.9300 . ?
C27 C28 1.387(6) . ?
C27 H27A 0.9300 . ?
C28 C29 1.413(5) . ?
C28 C32 1.421(5) 5_666 ?
C29 C30 1.426(5) . ?
C29 C29 1.431(7) 5_666 ?
C30 C31 1.432(5) . ?
C31 C32 1.359(5) . ?
C31 H31A 0.9300 . ?
C32 C28 1.421(5) 5_666 ?
C32 H32A 0.9300 . ?
N3 N4 1.404(3) . ?
S1 S1 1.200(3) 6_565 ?
S1 O1 1.429(4) . ?
S1 O3 1.471(3) . ?
S1 O2 1.505(3) . ?
S1 F3 1.716(4) 6_565 ?
S2 S2 0.961(2) 6 ?
S2 O5 1.360(2) . ?
S2 O6 1.420(3) . ?
S2 O4 1.462(3) . ?
S2 F5 2.005(4) 6 ?
F3 O1 1.145(5) 6_565 ?
F3 S1 1.716(4) 6_565 ?
F5 F6 1.382(5) 6 ?
F5 O6 1.691(5) 6 ?
F5 S2 2.005(4) 6 ?
F6 F6 0.932(7) 6 ?
F6 F5 1.382(5) 6 ?
O1 F3 1.145(5) 6_565 ?
O2 S1 1.505(3) 6_565 ?
O3 S1 1.471(3) 6_565 ?
O4 S2 1.462(3) 6 ?
O5 S2 1.360(2) 6 ?
O6 F5 1.691(5) 6 ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N2 C2 C3 N1 0.0(3) . . . . ?
C9 C4 C5 C6 0.8(4) . . . . ?
N2 C4 C5 C6 -177.2(2) . . . . ?
C4 C5 C6 C7 0.6(4) . . . . ?
C5 C6 C7 C8 -1.2(4) . . . . ?
C5 C6 C7 C10 178.8(2) . . . . ?
C6 C7 C8 C9 0.5(4) . . . . ?
C10 C7 C8 C9 -179.5(2) . . . . ?
C7 C8 C9 C4 0.8(4) . . . . ?
C5 C4 C9 C8 -1.4(4) . . . . ?
N2 C4 C9 C8 176.5(2) . . . . ?
C6 C7 C10 N3 -179.7(2) . . . . ?
C8 C7 C10 N3 0.2(3) . . . . ?
C6 C7 C10 C11 0.7(4) . . . . ?
C8 C7 C10 C11 -179.4(2) . . . . ?
N4 C12 C14 C19 172.6(2) . . . . ?
C13 C12 C14 C19 -8.2(3) . . . . ?
N4 C12 C14 C15 -7.7(3) . . . . ?
C13 C12 C14 C15 171.5(2) . . . . ?
C19 C14 C15 C16 1.7(4) . . . . ?
C12 C14 C15 C16 -178.0(2) . . . . ?
C14 C15 C16 C17 -0.7(4) . . . . ?
C15 C16 C17 C18 -1.1(4) . . . . ?
C15 C16 C17 N5 177.5(2) . . . . ?
C16 C17 C18 C19 1.7(4) . . . . ?
N5 C17 C18 C19 -176.9(2) . . . . ?
C17 C18 C19 C14 -0.6(4) . . . . ?
C15 C14 C19 C18 -1.1(4) . . . . ?
C12 C14 C19 C18 178.7(2) . . . . ?
N6 C21 C22 N5 0.3(3) . . . . ?
C30 C25 C26 C27 0.000(1) . . . . ?
C25 C26 C27 C28 0.000(2) . . . . ?
C26 C27 C28 C29 0.000(1) . . . . ?
C26 C27 C28 C32 180.000(1) . . . 5_666 ?
C27 C28 C29 C30 0.0 . . . . ?
C32 C28 C29 C30 180.000(1) 5_666 . . . ?
C27 C28 C29 C29 180.000(1) . . . 5_666 ?
C32 C28 C29 C29 0.000(1) 5_666 . . 5_666 ?
C26 C25 C30 C29 0.000(1) . . . . ?
C26 C25 C30 C31 180.000(1) . . . . ?
C28 C29 C30 C25 0.0 . . . . ?
C29 C29 C30 C25 180.000(1) 5_666 . . . ?
C28 C29 C30 C31 180.0 . . . . ?
C29 C29 C30 C31 0.0 5_666 . . . ?
C25 C30 C31 C32 180.0 . . . . ?
C29 C30 C31 C32 0.0 . . . . ?
C30 C31 C32 C28 0.0 . . . 5_666 ?
N2 C1 N1 C3 0.0(3) . . . . ?
N2 C1 N1 Cd2 167.85(16) . . . . ?
C2 C3 N1 C1 0.0(3) . . . . ?
C2 C3 N1 Cd2 -168.53(19) . . . . ?
N1 Cd2 N1 C1 64.9(2) 6_565 . . . ?
N1 Cd2 N1 C1 9(100) 5_767 . . . ?
N1 Cd2 N1 C1 -115.1(2) 2_757 . . . ?
O3 Cd2 N1 C1 152.2(2) 5_767 . . . ?
O3 Cd2 N1 C1 -27.8(2) . . . . ?
N1 Cd2 N1 C3 -129.42(19) 6_565 . . . ?
N1 Cd2 N1 C3 175(100) 5_767 . . . ?
N1 Cd2 N1 C3 50.58(19) 2_757 . . . ?
O3 Cd2 N1 C3 -42.2(2) 5_767 . . . ?
O3 Cd2 N1 C3 137.8(2) . . . . ?
N1 C1 N2 C2 -0.1(3) . . . . ?
N1 C1 N2 C4 -177.7(2) . . . . ?
C3 C2 N2 C1 0.0(3) . . . . ?
C3 C2 N2 C4 177.6(2) . . . . ?
C5 C4 N2 C1 146.8(3) . . . . ?
C9 C4 N2 C1 -31.2(4) . . . . ?
C5 C4 N2 C2 -30.3(4) . . . . ?
C9 C4 N2 C2 151.7(3) . . . . ?
C7 C10 N3 N4 -178.39(19) . . . . ?
C11 C10 N3 N4 1.2(4) . . . . ?
C14 C12 N4 N3 -178.5(2) . . . . ?
C13 C12 N4 N3 2.4(3) . . . . ?
C10 N3 N4 C12 -172.6(2) . . . . ?
N6 C20 N5 C22 -0.1(3) . . . . ?
N6 C20 N5 C17 -179.6(2) . . . . ?
C21 C22 N5 C20 -0.1(3) . . . . ?
C21 C22 N5 C17 179.4(2) . . . . ?
C18 C17 N5 C20 137.0(3) . . . . ?
C16 C17 N5 C20 -41.7(3) . . . . ?
C18 C17 N5 C22 -42.5(4) . . . . ?
C16 C17 N5 C22 138.9(3) . . . . ?
N5 C20 N6 C21 0.3(3) . . . . ?
N5 C20 N6 Cd1 178.89(15) . . . . ?
C22 C21 N6 C20 -0.4(3) . . . . ?
C22 C21 N6 Cd1 -178.93(19) . . . . ?
N6 Cd1 N6 C20 31(62) 5 . . . ?
N6 Cd1 N6 C20 -107.8(2) 2 . . . ?
N6 Cd1 N6 C20 72.2(2) 6 . . . ?
O5 Cd1 N6 C20 165.3(2) 5 . . . ?
O5 Cd1 N6 C20 -14.7(2) . . . . ?
N6 Cd1 N6 C21 -151(62) 5 . . . ?
N6 Cd1 N6 C21 70.5(2) 2 . . . ?
N6 Cd1 N6 C21 -109.5(2) 6 . . . ?
O5 Cd1 N6 C21 -16.4(2) 5 . . . ?
O5 Cd1 N6 C21 163.6(2) . . . . ?
F1 C23 S1 S1 104.8(2) . . . 6_565 ?
F2 C23 S1 S1 -102.38(19) . . . 6_565 ?
F3 C23 S1 S1 174.8(3) 6_565 . . 6_565 ?
F3 C23 S1 S1 4.7(2) . . . 6_565 ?
F1 C23 S1 O1 -78.6(3) . . . . ?
F2 C23 S1 O1 74.2(3) . . . . ?
F3 C23 S1 O1 -8.6(3) 6_565 . . . ?
F3 C23 S1 O1 -178.6(3) . . . . ?
S1 C23 S1 O1 176.60(19) 6_565 . . . ?
F1 C23 S1 O3 161.63(17) . . . . ?
F2 C23 S1 O3 -45.57(19) . . . . ?
F3 C23 S1 O3 -128.4(2) 6_565 . . . ?
F3 C23 S1 O3 61.6(3) . . . . ?
S1 C23 S1 O3 56.81(13) 6_565 . . . ?
F1 C23 S1 O2 47.6(2) . . . . ?
F2 C23 S1 O2 -159.56(15) . . . . ?
F3 C23 S1 O2 117.6(2) 6_565 . . . ?
F3 C23 S1 O2 -52.4(3) . . . . ?
S1 C23 S1 O2 -57.18(13) 6_565 . . . ?
F1 C23 S1 F3 -70.0(2) . . . 6_565 ?
F2 C23 S1 F3 82.8(2) . . . 6_565 ?
F3 C23 S1 F3 -170.1(5) . . . 6_565 ?
S1 C23 S1 F3 -174.8(3) 6_565 . . 6_565 ?
F6 C24 S2 S2 125.9(3) . . . 6 ?
F6 C24 S2 S2 74.4(2) 6 . . 6 ?
F4 C24 S2 S2 -97.25(10) . . . 6 ?
F5 C24 S2 S2 9.8(2) . . . 6 ?
F5 C24 S2 S2 170.3(2) 6 . . 6 ?
F6 C24 S2 O5 -173.4(3) . . . . ?
F6 C24 S2 O5 135.1(3) 6 . . . ?
F4 C24 S2 O5 -36.56(13) . . . . ?
F5 C24 S2 O5 70.5(3) . . . . ?
F5 C24 S2 O5 -129.0(2) 6 . . . ?
S2 C24 S2 O5 60.70(11) 6 . . . ?
F6 C24 S2 O6 -62.8(3) . . . . ?
F6 C24 S2 O6 -114.3(3) 6 . . . ?
F4 C24 S2 O6 74.06(17) . . . . ?
F5 C24 S2 O6 -178.9(3) . . . . ?
F5 C24 S2 O6 -18.4(3) 6 . . . ?
S2 C24 S2 O6 171.31(15) 6 . . . ?
F6 C24 S2 O4 60.6(3) . . . . ?
F6 C24 S2 O4 9.1(3) 6 . . . ?
F4 C24 S2 O4 -162.55(9) . . . . ?
F5 C24 S2 O4 -55.5(3) . . . . ?
F5 C24 S2 O4 105.0(2) 6 . . . ?
S2 C24 S2 O4 -65.30(9) 6 . . . ?
F6 C24 S2 F5 -44.4(3) . . . 6 ?
F6 C24 S2 F5 -95.9(4) 6 . . 6 ?
F4 C24 S2 F5 92.5(2) . . . 6 ?
F5 C24 S2 F5 -160.5(5) . . . 6 ?
S2 C24 S2 F5 -170.3(2) 6 . . 6 ?
F1 C23 F3 O1 -140.8(5) . . . 6_565 ?
F2 C23 F3 O1 107.6(5) . . . 6_565 ?
F3 C23 F3 O1 -49(2) 6_565 . . 6_565 ?
S1 C23 F3 O1 -11.9(4) 6_565 . . 6_565 ?
S1 C23 F3 O1 -15.4(6) . . . 6_565 ?
F1 C23 F3 S1 -128.9(3) . . . 6_565 ?
F2 C23 F3 S1 119.5(3) . . . 6_565 ?
F3 C23 F3 S1 -37.3(19) 6_565 . . 6_565 ?
S1 C23 F3 S1 -3.53(18) . . . 6_565 ?
F6 C24 F5 F6 4.31(18) . . . 6 ?
F4 C24 F5 F6 -112.2(3) . . . 6 ?
F5 C24 F5 F6 36.5(14) 6 . . 6 ?
S2 C24 F5 F6 134.7(3) 6 . . 6 ?
S2 C24 F5 F6 129.5(3) . . . 6 ?
F6 C24 F5 O6 -145.9(3) . . . 6 ?
F6 C24 F5 O6 -150.2(4) 6 . . 6 ?
F4 C24 F5 O6 97.6(3) . . . 6 ?
F5 C24 F5 O6 -113.6(13) 6 . . 6 ?
S2 C24 F5 O6 -15.5(2) 6 . . 6 ?
S2 C24 F5 O6 -20.7(3) . . . 6 ?
F6 C24 F5 S2 -130.4(3) . . . 6 ?
F6 C24 F5 S2 -134.7(3) 6 . . 6 ?
F4 C24 F5 S2 113.0(3) . . . 6 ?
F5 C24 F5 S2 -98.2(14) 6 . . 6 ?
S2 C24 F5 S2 -5.25(13) . . . 6 ?
F4 C24 F6 F6 99.97(18) . . . 6 ?
F5 C24 F6 F6 -5.4(2) . . . 6 ?
F5 C24 F6 F6 -174.0(2) 6 . . 6 ?
S2 C24 F6 F6 -88.3(2) 6 . . 6 ?
S2 C24 F6 F6 -122.8(3) . . . 6 ?
F6 C24 F6 F5 174.0(2) 6 . . 6 ?
F4 C24 F6 F5 -86.1(2) . . . 6 ?
F5 C24 F6 F5 168.5(5) . . . 6 ?
S2 C24 F6 F5 85.6(3) 6 . . 6 ?
S2 C24 F6 F5 51.1(3) . . . 6 ?
S1 S1 O1 F3 23.2(10) 6_565 . . 6_565 ?
O3 S1 O1 F3 120.3(3) . . . 6_565 ?
O2 S1 O1 F3 -101.5(4) . . . 6_565 ?
C23 S1 O1 F3 10.7(4) . . . 6_565 ?
O1 S1 O2 S1 166.7(3) . . . 6_565 ?
O3 S1 O2 S1 -52.10(13) . . . 6_565 ?
C23 S1 O2 S1 59.00(14) . . . 6_565 ?
F3 S1 O2 S1 117.5(2) 6_565 . . 6_565 ?
O1 S1 O3 S1 -163.8(2) . . . 6_565 ?
O2 S1 O3 S1 52.43(14) . . . 6_565 ?
C23 S1 O3 S1 -59.04(14) . . . 6_565 ?
F3 S1 O3 S1 -116.0(2) 6_565 . . 6_565 ?
S1 S1 O3 Cd2 -117.46(17) 6_565 . . . ?
O1 S1 O3 Cd2 78.7(3) . . . . ?
O2 S1 O3 Cd2 -65.03(17) . . . . ?
C23 S1 O3 Cd2 -176.49(14) . . . . ?
F3 S1 O3 Cd2 126.5(3) 6_565 . . . ?
N1 Cd2 O3 S1 -83.62(15) 6_565 . . 6_565 ?
N1 Cd2 O3 S1 11.83(15) . . . 6_565 ?
N1 Cd2 O3 S1 -168.17(15) 5_767 . . 6_565 ?
N1 Cd2 O3 S1 96.38(15) 2_757 . . 6_565 ?
O3 Cd2 O3 S1 -64(100) 5_767 . . 6_565 ?
N1 Cd2 O3 S1 -11.83(15) 6_565 . . . ?
N1 Cd2 O3 S1 83.62(15) . . . . ?
N1 Cd2 O3 S1 -96.38(15) 5_767 . . . ?
N1 Cd2 O3 S1 168.17(15) 2_757 . . . ?
O3 Cd2 O3 S1 8(100) 5_767 . . . ?
O5 S2 O4 S2 -53.03(13) . . . 6 ?
O6 S2 O4 S2 176.40(17) . . . 6 ?
C24 S2 O4 S2 67.85(10) . . . 6 ?
F5 S2 O4 S2 114.81(14) 6 . . 6 ?
O6 S2 O5 S2 -169.68(15) . . . 6 ?
O4 S2 O5 S2 53.77(13) . . . 6 ?
C24 S2 O5 S2 -63.83(12) . . . 6 ?
F5 S2 O5 S2 -110.99(18) 6 . . 6 ?
S2 S2 O5 Cd1 -148.9(4) 6 . . . ?
O6 S2 O5 Cd1 41.4(4) . . . . ?
O4 S2 O5 Cd1 -95.2(4) . . . . ?
C24 S2 O5 Cd1 147.2(4) . . . . ?
F5 S2 O5 Cd1 100.1(4) 6 . . . ?
N6 Cd1 O5 S2 -72.9(4) . . . . ?
N6 Cd1 O5 S2 107.1(4) 5 . . . ?
N6 Cd1 O5 S2 15.1(4) 2 . . . ?
N6 Cd1 O5 S2 -164.9(4) 6 . . . ?
O5 Cd1 O5 S2 -118.9(4) 5 . . . ?
N6 Cd1 O5 S2 164.9(4) . . . 6 ?
N6 Cd1 O5 S2 -15.1(4) 5 . . 6 ?
N6 Cd1 O5 S2 -107.1(4) 2 . . 6 ?
N6 Cd1 O5 S2 72.9(4) 6 . . 6 ?
O5 Cd1 O5 S2 118.9(4) 5 . . 6 ?
S2 S2 O6 F5 66.2(8) 6 . . 6 ?
O5 S2 O6 F5 129.2(2) . . . 6 ?
O4 S2 O6 F5 -95.4(2) . . . 6 ?
C24 S2 O6 F5 15.7(2) . . . 6 ?
