#------------------------------------------------------------------------------
#$Date: 2016-03-26 18:20:05 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180422 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/91/7209119.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_7209119
loop_
_publ_author_name
'Zhou, Hong'
'Liu, Guang-Xiang'
'Wang, Xiao-Feng'
'Wang, Yan'
_publ_section_title
;
 Three cobalt(ii) coordination polymers based on V-shaped aromatic
 polycarboxylates and rigid bis(imidazole) ligand: syntheses, crystal
 structures, physical properties and theoretical studies
;
_journal_issue                   7
_journal_name_full               CrystEngComm
_journal_page_first              1377
_journal_paper_doi               10.1039/c2ce26606g
_journal_volume                  15
_journal_year                    2013
_chemical_formula_moiety         'C32 H22 Co N4 O6 S'
_chemical_formula_sum            'C32 H22 Co N4 O6 S'
_chemical_formula_weight         649.53
_chemical_name_systematic
;
?
;
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 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                 124.5430(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.707(3)
_cell_length_b                   10.2165(11)
_cell_length_c                   15.1394(16)
_cell_measurement_reflns_used    7941
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.46
_cell_measurement_theta_min      2.27
_cell_volume                     2892.9(6)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker Smart Apex CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0184
_diffrn_reflns_av_sigmaI/netI    0.0379
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            10927
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.27
_exptl_absorpt_coefficient_mu    0.719
_exptl_absorpt_correction_T_max  0.9316
_exptl_absorpt_correction_T_min  0.8579
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Bruker, 2000)'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.491
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       pillar
_exptl_crystal_F_000             1332
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.370
_refine_diff_density_min         -0.175
_refine_diff_density_rms         0.039
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.025(10)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     397
_refine_ls_number_reflns         5274
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0299
_refine_ls_R_factor_gt           0.0283
_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)+(0.0376P)²+0.6556P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0723
_refine_ls_wR_factor_ref         0.0735
_reflns_number_gt                5058
_reflns_number_total             5274
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2ce26606g.txt
_cod_data_source_block           ICA1
_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        2892.9(5)
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               7209119
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, 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
Co1 Co 1.032476(16) 0.44295(3) 0.58838(2) 0.04080(9) Uani 1 1 d .
N1 N 0.94124(11) 0.3845(2) 0.57497(16) 0.0463(5) Uani 1 1 d .
N2 N 0.85850(10) 0.35629(19) 0.60537(16) 0.0412(4) Uani 1 1 d .
N3 N 0.60336(11) 0.3260(2) 0.96178(17) 0.0444(4) Uani 1 1 d .
N4 N 0.55690(12) 0.2156(2) 1.03229(17) 0.0476(5) Uani 1 1 d .
O1 O 1.00656(13) 0.6142(2) 0.51862(18) 0.0683(6) Uani 1 1 d .
O2 O 1.03139(19) 0.5680(2) 0.4013(2) 0.0960(9) Uani 1 1 d .
O3 O 0.59322(11) 0.9559(2) -0.25359(15) 0.0650(6) Uani 1 1 d .
O4 O 0.66472(13) 1.0005(2) -0.30222(16) 0.0677(5) Uani 1 1 d .
O5 O 0.84611(11) 1.21072(19) 0.26824(16) 0.0648(5) Uani 1 1 d .
O6 O 0.92959(10) 1.2356(2) 0.21348(19) 0.0725(6) Uani 1 1 d .
S1 S 0.88013(3) 1.15615(6) 0.22055(5) 0.04823(15) Uani 1 1 d .
C1 C 1.01137(13) 0.6414(3) 0.44252(19) 0.0471(6) Uani 1 1 d .
C2 C 0.98395(12) 0.7766(2) 0.39358(19) 0.0417(5) Uani 1 1 d .
C3 C 0.99471(14) 0.8231(2) 0.3180(2) 0.0471(5) Uani 1 1 d .
H3 H 1.0222 0.7750 0.3018 0.057 Uiso 1 1 calc R
C4 C 0.96500(15) 0.9398(2) 0.2666(2) 0.0488(6) Uani 1 1 d .
H4 H 0.9724 0.9712 0.2160 0.059 Uiso 1 1 calc R
C5 C 0.92403(12) 1.0098(2) 0.29108(18) 0.0411(5) Uani 1 1 d .
C6 C 0.91505(17) 0.9676(3) 0.3684(3) 0.0594(7) Uani 1 1 d .
H6 H 0.8884 1.0166 0.3856 0.071 Uiso 1 1 calc R
C7 C 0.94606(18) 0.8511(3) 0.4206(3) 0.0630(8) Uani 1 1 d .
H7 H 0.9412 0.8228 0.4746 0.076 Uiso 1 1 calc R
C8 C 0.65282(15) 0.9913(3) -0.2333(2) 0.0513(6) Uani 1 1 d .
C9 C 0.70978(14) 1.0261(2) -0.1169(2) 0.0458(6) Uani 1 1 d .
C10 C 0.77445(16) 1.0740(3) -0.0918(2) 0.0581(8) Uani 1 1 d .
H10 H 0.7831 1.0804 -0.1447 0.070 Uiso 1 1 calc R
C11 C 0.82605(14) 1.1120(3) 0.0115(2) 0.0588(7) Uani 1 1 d .
H11 H 0.8697 1.1438 0.0286 0.071 Uiso 1 1 calc R
C12 C 0.81285(12) 1.1030(2) 0.08967(18) 0.0410(5) Uani 1 1 d .
C13 C 0.74821(13) 1.0575(2) 0.0662(2) 0.0434(5) Uani 1 1 d .
H13 H 0.7392 1.0538 0.1188 0.052 Uiso 1 1 calc R
C14 C 0.69683(13) 1.0172(2) -0.0384(2) 0.0453(5) Uani 1 1 d .
H14 H 0.6534 0.9839 -0.0554 0.054 Uiso 1 1 calc R
C15 C 0.91976(13) 0.4173(2) 0.6362(2) 0.0455(5) Uani 1 1 d .
H15 H 0.9438 0.4753 0.6935 0.055 Uiso 1 1 calc R
C16 C 0.89143(15) 0.2980(3) 0.5014(2) 0.0562(7) Uani 1 1 d .
H16 H 0.8928 0.2579 0.4475 0.067 Uiso 1 1 calc R
C17 C 0.84055(17) 0.2800(3) 0.5188(2) 0.0591(7) Uani 1 1 d .
H17 H 0.8007 0.2262 0.4798 0.071 Uiso 1 1 calc R
C18 C 0.81974(12) 0.3638(2) 0.65445(18) 0.0392(5) Uani 1 1 d .
C19 C 0.83524(14) 0.4590(2) 0.7292(2) 0.0499(6) Uani 1 1 d .
H19 H 0.8713 0.5196 0.7493 0.060 Uiso 1 1 calc R
C20 C 0.79679(15) 0.4632(3) 0.7736(2) 0.0521(7) Uani 1 1 d .
H20 H 0.8076 0.5274 0.8243 0.063 Uiso 1 1 calc R
C21 C 0.74180(14) 0.3743(2) 0.7452(2) 0.0453(5) Uani 1 1 d .
C22 C 0.72743(16) 0.2811(3) 0.6695(2) 0.0557(7) Uani 1 1 d .
H22 H 0.6913 0.2203 0.6486 0.067 Uiso 1 1 calc R
C23 C 0.76547(16) 0.2765(3) 0.6246(2) 0.0590(7) Uani 1 1 d .
H23 H 0.7544 0.2133 0.5731 0.071 Uiso 1 1 calc R
C24 C 0.57135(12) 0.2148(2) 0.95991(19) 0.0416(5) Uani 1 1 d .
H24 H 0.5607 0.1458 0.9131 0.050 Uiso 1 1 calc R
C25 C 0.57966(19) 0.3346(3) 1.0821(3) 0.0671(8) Uani 1 1 d .
H25 H 0.5759 0.3637 1.1369 0.080 Uiso 1 1 calc R
C26 C 0.60876(19) 0.4039(3) 1.0386(3) 0.0647(8) Uani 1 1 d .
H26 H 0.6283 0.4876 1.0578 0.078 Uiso 1 1 calc R
C27 C 0.63463(13) 0.3496(2) 0.9028(2) 0.0437(5) Uani 1 1 d .
C28 C 0.59911(13) 0.3141(3) 0.7965(2) 0.0460(6) Uani 1 1 d .
H28 H 0.5527 0.2819 0.7601 0.055 Uiso 1 1 calc R
C29 C 0.63248(13) 0.3264(3) 0.7447(2) 0.0459(6) Uani 1 1 d .
H29 H 0.6081 0.3022 0.6730 0.055 Uiso 1 1 calc R
C30 C 0.70229(13) 0.3746(2) 0.7971(2) 0.0449(5) Uani 1 1 d .
C31 C 0.73613(16) 0.4147(3) 0.9040(2) 0.0564(7) Uani 1 1 d .
H31 H 0.7816 0.4515 0.9400 0.068 Uiso 1 1 calc R
C32 C 0.70284(16) 0.4001(3) 0.9566(2) 0.0574(7) Uani 1 1 d .
H32 H 0.7264 0.4244 1.0282 0.069 Uiso 1 1 calc 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'
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'
Co Co 0.3494 0.9721 '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'
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
O1 Co1 O3 112.59(10) . 3_546
O1 Co1 N4 123.64(9) . 4_554
O3 Co1 N4 112.85(9) 3_546 4_554
O1 Co1 N1 103.26(9) . .
O3 Co1 N1 96.42(9) 3_546 .
N4 Co1 N1 102.97(9) 4_554 .
C15 N1 C16 105.8(2) . .
C15 N1 Co1 127.92(17) . .
C16 N1 Co1 126.21(17) . .
C15 N2 C17 106.4(2) . .
C15 N2 C18 127.7(2) . .
C17 N2 C18 125.8(2) . .
C24 N3 C26 107.4(2) . .
C24 N3 C27 125.5(2) . .
C26 N3 C27 126.6(2) . .
C24 N4 C25 105.7(2) . .
C24 N4 Co1 126.71(17) . 4_455
C25 N4 Co1 125.55(19) . 4_455
C1 O1 Co1 122.77(18) . .
C8 O3 Co1 103.30(18) . 3_454
O5 S1 O6 118.95(14) . .
O5 S1 C12 108.28(12) . .
O6 S1 C12 107.77(13) . .
O5 S1 C5 107.62(12) . .
O6 S1 C5 108.88(12) . .
C12 S1 C5 104.40(11) . .
O2 C1 O1 126.1(3) . .
O2 C1 C2 118.6(2) . .
O1 C1 C2 115.2(2) . .
C7 C2 C3 119.4(2) . .
C7 C2 C1 120.7(2) . .
C3 C2 C1 119.9(2) . .
C4 C3 C2 120.4(2) . .
C4 C3 H3 119.8 . .
C2 C3 H3 119.8 . .
C3 C4 C5 119.2(2) . .
C3 C4 H4 120.4 . .
C5 C4 H4 120.4 . .
C6 C5 C4 121.1(2) . .
C6 C5 S1 118.3(2) . .
C4 C5 S1 120.56(19) . .
C5 C6 C7 119.2(3) . .
C5 C6 H6 120.4 . .
C7 C6 H6 120.4 . .
C2 C7 C6 120.6(3) . .
C2 C7 H7 119.7 . .
C6 C7 H7 119.7 . .
O4 C8 O3 122.8(3) . .
O4 C8 C9 121.2(3) . .
O3 C8 C9 116.0(2) . .
C14 C9 C10 119.9(3) . .
C14 C9 C8 121.7(2) . .
C10 C9 C8 118.2(3) . .
C11 C10 C9 120.0(3) . .
C11 C10 H10 120.0 . .
C9 C10 H10 120.0 . .
C10 C11 C12 119.8(3) . .
C10 C11 H11 120.1 . .
C12 C11 H11 120.1 . .
C11 C12 C13 121.2(2) . .
C11 C12 S1 118.12(19) . .
C13 C12 S1 120.62(19) . .
C12 C13 C14 118.4(2) . .
C12 C13 H13 120.8 . .
C14 C13 H13 120.8 . .
C9 C14 C13 120.6(2) . .
C9 C14 H14 119.7 . .
C13 C14 H14 119.7 . .
N1 C15 N2 111.3(2) . .
N1 C15 H15 124.4 . .
N2 C15 H15 124.4 . .
C17 C16 N1 109.7(2) . .
C17 C16 H16 125.1 . .
N1 C16 H16 125.1 . .
C16 C17 N2 106.7(2) . .
C16 C17 H17 126.6 . .
N2 C17 H17 126.6 . .
C23 C18 C19 119.5(2) . .
C23 C18 N2 119.5(2) . .
C19 C18 N2 121.0(2) . .
C20 C19 C18 119.2(2) . .
C20 C19 H19 120.4 . .
C18 C19 H19 120.4 . .
C19 C20 C21 122.2(3) . .
C19 C20 H20 118.9 . .
C21 C20 H20 118.9 . .
C22 C21 C20 116.9(2) . .
C22 C21 C30 120.7(2) . .
C20 C21 C30 122.3(2) . .
C23 C22 C21 121.2(2) . .
C23 C22 H22 119.4 . .
C21 C22 H22 119.4 . .
C22 C23 C18 121.0(2) . .
C22 C23 H23 119.5 . .
C18 C23 H23 119.5 . .
N4 C24 N3 111.5(2) . .
N4 C24 H24 124.2 . .
N3 C24 H24 124.2 . .
C26 C25 N4 109.3(3) . .
C26 C25 H25 125.4 . .
N4 C25 H25 125.4 . .
N3 C26 C25 106.0(2) . .
N3 C26 H26 127.0 . .
C25 C26 H26 127.0 . .
C32 C27 C28 120.4(2) . .
C32 C27 N3 118.7(2) . .
C28 C27 N3 120.8(2) . .
C29 C28 C27 119.8(2) . .
C29 C28 H28 120.1 . .
C27 C28 H28 120.1 . .
C28 C29 C30 121.6(2) . .
C28 C29 H29 119.2 . .
C30 C29 H29 119.2 . .
C29 C30 C31 117.4(2) . .
C29 C30 C21 121.8(2) . .
C31 C30 C21 120.6(2) . .
C32 C31 C30 120.8(2) . .
C32 C31 H31 119.6 . .
C30 C31 H31 119.6 . .
C27 C32 C31 119.9(3) . .
C27 C32 H32 120.0 . .
C31 C32 H32 120.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O1 1.9538(19) .
Co1 O3 1.975(2) 3_546
Co1 N4 2.046(2) 4_554
Co1 N1 2.052(2) .
N1 C15 1.312(3) .
N1 C16 1.368(3) .
N2 C15 1.344(3) .
N2 C17 1.373(3) .
N2 C18 1.440(3) .
N3 C24 1.341(3) .
N3 C26 1.356(4) .
N3 C27 1.442(3) .
N4 C24 1.310(3) .
N4 C25 1.368(4) .
N4 Co1 2.046(2) 4_455
O1 C1 1.249(3) .
O2 C1 1.217(3) .
O3 C8 1.259(4) .
O3 Co1 1.975(2) 3_454
O4 C8 1.220(3) .
O5 S1 1.436(2) .
O6 S1 1.438(2) .
S1 C12 1.767(2) .
S1 C5 1.778(2) .
C1 C2 1.523(3) .
C2 C7 1.373(4) .
C2 C3 1.383(4) .
C3 C4 1.374(4) .
C3 H3 0.9300 .
C4 C5 1.380(4) .
C4 H4 0.9300 .
C5 C6 1.367(4) .
C6 C7 1.380(4) .
C6 H6 0.9300 .
C7 H7 0.9300 .
C8 C9 1.524(4) .
C9 C14 1.380(4) .
C9 C10 1.381(4) .
C10 C11 1.375(4) .
C10 H10 0.9300 .
C11 C12 1.378(4) .
C11 H11 0.9300 .
C12 C13 1.380(4) .
C13 C14 1.393(4) .
C13 H13 0.9300 .
C14 H14 0.9300 .
C15 H15 0.9300 .
C16 C17 1.335(4) .
C16 H16 0.9300 .
C17 H17 0.9300 .
C18 C23 1.374(3) .
C18 C19 1.378(4) .
C19 C20 1.372(4) .
C19 H19 0.9300 .
C20 C21 1.400(4) .
C20 H20 0.9300 .
C21 C22 1.379(4) .
C21 C30 1.490(3) .
C22 C23 1.370(4) .
C22 H22 0.9300 .
C23 H23 0.9300 .
C24 H24 0.9300 .
C25 C26 1.366(4) .
C25 H25 0.9300 .
C26 H26 0.9300 .
C27 C32 1.378(4) .
C27 C28 1.378(4) .
C28 C29 1.371(4) .
C28 H28 0.9300 .
C29 C30 1.399(3) .
C29 H29 0.9300 .
C30 C31 1.403(4) .
C31 C32 1.382(4) .
C31 H31 0.9300 .
C32 H32 0.9300 .
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
O1 Co1 N1 C15 -82.0(2) .
O3 Co1 N1 C15 33.0(2) 3_546
N4 Co1 N1 C15 148.3(2) 4_554
O1 Co1 N1 C16 100.7(2) .
O3 Co1 N1 C16 -144.2(2) 3_546
N4 Co1 N1 C16 -28.9(2) 4_554
O3 Co1 O1 C1 132.9(2) 3_546
N4 Co1 O1 C1 -8.6(3) 4_554
N1 Co1 O1 C1 -124.3(2) .
Co1 O1 C1 O2 0.8(4) .
Co1 O1 C1 C2 176.00(17) .
O2 C1 C2 C7 165.1(3) .
O1 C1 C2 C7 -10.5(4) .
O2 C1 C2 C3 -12.4(4) .
O1 C1 C2 C3 172.1(2) .
C7 C2 C3 C4 -3.0(4) .
C1 C2 C3 C4 174.4(2) .
C2 C3 C4 C5 -0.3(4) .
C3 C4 C5 C6 2.7(4) .
C3 C4 C5 S1 -176.10(19) .
O5 S1 C5 C6 5.0(3) .
O6 S1 C5 C6 135.1(2) .
C12 S1 C5 C6 -110.0(2) .
O5 S1 C5 C4 -176.2(2) .
O6 S1 C5 C4 -46.0(2) .
C12 S1 C5 C4 68.8(2) .
C4 C5 C6 C7 -1.7(4) .
S1 C5 C6 C7 177.1(3) .
C3 C2 C7 C6 4.0(5) .
C1 C2 C7 C6 -173.4(3) .
C5 C6 C7 C2 -1.7(5) .
Co1 O3 C8 O4 -5.6(3) 3_454
Co1 O3 C8 C9 172.91(18) 3_454
O4 C8 C9 C14 179.5(3) .
O3 C8 C9 C14 1.0(4) .
O4 C8 C9 C10 2.8(4) .
O3 C8 C9 C10 -175.7(3) .
C14 C9 C10 C11 0.3(4) .
C8 C9 C10 C11 177.1(3) .
C9 C10 C11 C12 -0.4(5) .
C10 C11 C12 C13 -0.7(4) .
C10 C11 C12 S1 -178.8(2) .
O5 S1 C12 C11 146.5(2) .
O6 S1 C12 C11 16.6(3) .
C5 S1 C12 C11 -99.0(2) .
O5 S1 C12 C13 -31.6(2) .
O6 S1 C12 C13 -161.4(2) .
C5 S1 C12 C13 82.9(2) .
C11 C12 C13 C14 1.7(4) .
S1 C12 C13 C14 179.76(18) .
C10 C9 C14 C13 0.7(4) .
C8 C9 C14 C13 -175.9(2) .
C12 C13 C14 C9 -1.8(3) .
C16 N1 C15 N2 -0.1(3) .
Co1 N1 C15 N2 -177.81(17) .
C17 N2 C15 N1 0.0(3) .
C18 N2 C15 N1 177.9(2) .
C15 N1 C16 C17 0.2(3) .
Co1 N1 C16 C17 177.9(2) .
N1 C16 C17 N2 -0.2(3) .
C15 N2 C17 C16 0.1(3) .
C18 N2 C17 C16 -177.8(2) .
C15 N2 C18 C23 -167.9(3) .
C17 N2 C18 C23 9.5(4) .
C15 N2 C18 C19 13.5(4) .
C17 N2 C18 C19 -169.1(3) .
C23 C18 C19 C20 1.1(4) .
N2 C18 C19 C20 179.6(2) .
C18 C19 C20 C21 -0.3(4) .
C19 C20 C21 C22 -0.2(4) .
C19 C20 C21 C30 177.0(3) .
C20 C21 C22 C23 0.0(4) .
C30 C21 C22 C23 -177.3(3) .
C21 C22 C23 C18 0.7(5) .
C19 C18 C23 C22 -1.3(4) .
N2 C18 C23 C22 -179.9(3) .
C25 N4 C24 N3 1.1(3) .
Co1 N4 C24 N3 -163.27(17) 4_455
C26 N3 C24 N4 -1.1(3) .
C27 N3 C24 N4 171.3(2) .
C24 N4 C25 C26 -0.7(4) .
Co1 N4 C25 C26 163.9(2) 4_455
C24 N3 C26 C25 0.6(3) .
C27 N3 C26 C25 -171.7(3) .
N4 C25 C26 N3 0.1(4) .
C24 N3 C27 C32 -130.7(3) .
C26 N3 C27 C32 40.2(4) .
C24 N3 C27 C28 44.9(4) .
C26 N3 C27 C28 -144.2(3) .
C32 C27 C28 C29 1.5(4) .
N3 C27 C28 C29 -174.1(2) .
C27 C28 C29 C30 -0.1(4) .
C28 C29 C30 C31 -2.3(4) .
C28 C29 C30 C21 173.0(2) .
C22 C21 C30 C29 -28.7(4) .
C20 C21 C30 C29 154.2(3) .
C22 C21 C30 C31 146.5(3) .
C20 C21 C30 C31 -30.6(4) .
C29 C30 C31 C32 3.4(4) .
C21 C30 C31 C32 -172.0(3) .
C28 C27 C32 C31 -0.4(4) .
N3 C27 C32 C31 175.2(3) .
C30 C31 C32 C27 -2.1(5) .
