#------------------------------------------------------------------------------
#$Date: 2016-02-20 05:06:23 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176774 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/99/2209943.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2209943
loop_
_publ_author_name
'Ping, Lin'
'Wang, Zhi-Cheng'
'Ng, Seik Weng'
_publ_section_title
Poly[(μ₂-4,4'-bipyridine-κ²N:N')bis(μ₂-p-toluenesulfonato-κ²O:O')cadmium(II)]
_journal_coeditor_code           LH2133
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1878
_journal_page_last               m1879
_journal_paper_doi               10.1107/S1600536806027218
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Cd (C7 H7 O3 S)2 (C10 H8 N2)]'
_chemical_formula_moiety         'C24 H22 Cd N2 O6 S2'
_chemical_formula_sum            'C24 H22 Cd N2 O6 S2'
_chemical_formula_weight         610.96
_chemical_name_systematic
;
Poly[(μ₂-4,4'-bipyridine-κ²N:N')bis(μ₂-p-
toluenesulfonato-κ²O:O')cadmium(II)]
;
_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                 96.9170(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.7585(7)
_cell_length_b                   18.2900(10)
_cell_length_c                   14.2460(10)
_cell_measurement_reflns_used    6483
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      27.3
_cell_measurement_theta_min      2.6
_cell_volume                     2524.2(3)
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_collection       'SMART (Bruker, 2004)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 1.00
_diffrn_measured_fraction_theta_max 1.00
_diffrn_measurement_device_type  'Bruker APEX-II area-detector'
_diffrn_measurement_method       'φ and 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  0.041
_diffrn_reflns_av_sigmaI/netI    0.041
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            21285
_diffrn_reflns_theta_full        27.5
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         2.4
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.073
_exptl_absorpt_correction_T_max  0.795
_exptl_absorpt_correction_T_min  0.615
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.608
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1232
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.51
_refine_diff_density_min         -0.68
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.03
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     318
_refine_ls_number_reflns         5757
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.03
_refine_ls_R_factor_all          0.052
_refine_ls_R_factor_gt           0.034
_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)+(0.0437P)²+0.7515P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.078
_refine_ls_wR_factor_ref         0.087
_reflns_number_gt                4496
_reflns_number_total             5757
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            lh2133.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' 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 

The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' 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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        2524.1(3)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2209943
_cod_database_fobs_code          2209943
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_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
Cd Cd1 0.74873(2) 0.451790(10) 0.51294(2) 0.02405(8) Uani d . 1
S S1 0.57991(7) 0.59593(4) 0.62352(6) 0.0286(2) Uani d . 1
S S2 0.91186(7) 0.55112(4) 0.33886(5) 0.0288(2) Uani d . 1
O O1 0.6976(2) 0.55570(10) 0.5941(2) 0.0377(5) Uani d . 1
O O2 0.4504(2) 0.55680(10) 0.5933(2) 0.0403(6) Uani d . 1
O O3 0.5779(2) 0.67230(10) 0.5971(2) 0.0422(6) Uani d . 1
O O4 0.8030(2) 0.53350(10) 0.3976(2) 0.0382(5) Uani d . 1
O O5 1.0490(2) 0.5372(2) 0.3885(2) 0.0484(7) Uani d . 1
O O6 0.8978(3) 0.62380(10) 0.2998(2) 0.0508(7) Uani d . 1
N N1 0.6491(3) 0.38030(10) 0.6213(2) 0.0303(6) Uani d . 1
N N2 0.3489(3) 0.14410(10) 0.9383(2) 0.0313(6) Uani d . 1
C C1 0.5999(3) 0.5936(2) 0.7494(2) 0.0340(10) Uani d . 1
C C2 0.6295(5) 0.5286(2) 0.7970(3) 0.0560(10) Uani d . 1
C C3 0.6454(5) 0.5272(3) 0.8949(3) 0.0710(10) Uani d . 1
C C4 0.6335(5) 0.5901(3) 0.9475(3) 0.0670(10) Uani d . 1
C C5 0.6025(5) 0.6538(2) 0.8993(3) 0.0630(10) Uani d . 1
C C6 0.5834(4) 0.6571(2) 0.8005(3) 0.0500(10) Uani d . 1
C C7 0.6570(8) 0.5880(3) 1.0552(3) 0.112(2) Uani d . 1
C C8 0.8952(3) 0.4881(2) 0.2430(2) 0.0390(10) Uani d . 1
C C9 1.0028(5) 0.4817(4) 0.1887(4) 0.109(2) Uani d . 1
C C10 0.9904(7) 0.4343(4) 0.1135(5) 0.138(3) Uani d . 1
C C11 0.8782(7) 0.3911(3) 0.0910(4) 0.086(2) Uani d . 1
C C12 0.7746(6) 0.3973(3) 0.1461(3) 0.078(2) Uani d . 1
C C13 0.7814(4) 0.4457(2) 0.2218(3) 0.0580(10) Uani d . 1
C C14 0.8683(9) 0.3369(4) 0.0079(5) 0.139(3) Uani d . 1
C C15 0.7272(3) 0.3382(2) 0.6836(3) 0.0440(10) Uani d . 1
C C16 0.6731(3) 0.2938(2) 0.7490(3) 0.0450(10) Uani d . 1
C C17 0.5302(3) 0.2905(2) 0.7511(2) 0.0310(10) Uani d . 1
C C18 0.4504(3) 0.3360(2) 0.6883(2) 0.0380(10) Uani d . 1
C C19 0.5127(3) 0.3792(2) 0.6256(2) 0.0350(10) Uani d . 1
C C20 0.4680(3) 0.2410(2) 0.8172(2) 0.0320(10) Uani d . 1
C C21 0.5462(3) 0.1895(2) 0.8709(3) 0.0430(10) Uani d . 1
C C22 0.4838(3) 0.1421(2) 0.9293(2) 0.0410(10) Uani d . 1
C C23 0.2728(3) 0.1947(2) 0.8881(2) 0.0390(10) Uani d . 1
C C24 0.3261(3) 0.2429(2) 0.8271(3) 0.0400(10) Uani d . 1
H H2 0.6387 0.4857 0.7633 0.067 Uiso calc R 1
H H3 0.6646 0.4830 0.9261 0.086 Uiso calc R 1
H H5 0.5939 0.6965 0.9335 0.076 Uiso calc R 1
H H6 0.5600 0.7009 0.7695 0.060 Uiso calc R 1
H H7a 0.6561 0.5382 1.0763 0.169 Uiso calc R 1
H H7b 0.5851 0.6148 1.0803 0.169 Uiso calc R 1
H H7c 0.7447 0.6097 1.0768 0.169 Uiso calc R 1
H H9 1.0827 0.5092 0.2029 0.131 Uiso calc R 1
H H10 1.0622 0.4317 0.0762 0.165 Uiso calc R 1
H H12 0.6964 0.3683 0.1327 0.093 Uiso calc R 1
H H13 0.7083 0.4489 0.2578 0.069 Uiso calc R 1
H H14a 0.7922 0.3042 0.0118 0.209 Uiso calc R 1
H H14b 0.9523 0.3092 0.0106 0.209 Uiso calc R 1
H H14c 0.8542 0.3633 -0.0507 0.209 Uiso calc R 1
H H15 0.8224 0.3387 0.6829 0.052 Uiso calc R 1
H H16 0.7318 0.2662 0.7914 0.054 Uiso calc R 1
H H18 0.3552 0.3376 0.6884 0.045 Uiso calc R 1
H H19 0.4567 0.4090 0.5842 0.041 Uiso calc R 1
H H21 0.6408 0.1866 0.8681 0.052 Uiso calc R 1
H H22 0.5385 0.1074 0.9636 0.049 Uiso calc R 1
H H23 0.1792 0.1976 0.8945 0.047 Uiso calc R 1
H H24 0.2686 0.2765 0.7928 0.047 Uiso calc R 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'
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'
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O1 Cd1 O2 . 3_666 99.65(8) yes
O1 Cd1 O4 . . 84.63(8) yes
O1 Cd1 O5 . 3_766 80.96(8) yes
O1 Cd1 N1 . . 89.88(9) yes
O1 Cd1 N2 . 4_665 167.66(8) yes
O2 Cd1 O4 3_666 . 80.02(8) yes
O2 Cd1 O5 3_666 3_766 176.98(8) yes
O2 Cd1 N1 3_666 . 90.61(9) yes
O2 Cd1 N2 3_666 4_665 90.91(9) yes
O4 Cd1 O5 . 3_766 97.11(9) yes
O4 Cd1 N1 . . 168.17(8) yes
O4 Cd1 N2 . 4_665 91.00(9) yes
O5 Cd1 N1 3_766 . 92.35(9) yes
O5 Cd1 N2 3_766 4_665 88.17(9) yes
N1 Cd1 N2 . 4_665 96.41(9) yes
O3 S1 O1 . . 113.40(10) no
O3 S1 O2 . . 114.20(10) no
O1 S1 O2 . . 110.30(10) no
O3 S1 C1 . . 106.3(2) no
O1 S1 C1 . . 106.4(2) no
O2 S1 C1 . . 105.60(10) no
O6 S2 O5 . . 112.8(2) no
O6 S2 O4 . . 112.40(10) no
O5 S2 O4 . . 111.8(2) no
O6 S2 C8 . . 107.8(2) no
O5 S2 C8 . . 104.6(2) no
O4 S2 C8 . . 106.9(2) no
S1 O1 Cd1 . . 141.20(10) no
S1 O2 Cd1 . 3_666 147.8(2) no
S2 O4 Cd1 . . 141.80(10) no
S2 O5 Cd1 . 3_766 162.7(2) no
C19 N1 C15 . . 116.7(3) no
C19 N1 Cd1 . . 122.4(2) no
C15 N1 Cd1 . . 120.9(2) no
C22 N2 C23 . . 117.1(3) no
C22 N2 Cd1 . 4_566 119.8(2) no
C23 N2 Cd1 . 4_566 121.9(2) no
C2 C1 C6 . . 119.5(3) no
C2 C1 S1 . . 120.4(3) no
C6 C1 S1 . . 120.1(3) no
C1 C2 C3 . . 120.1(4) no
C2 C3 C4 . . 121.5(4) no
C5 C4 C3 . . 117.6(4) no
C5 C4 C7 . . 121.7(4) no
C3 C4 C7 . . 120.7(4) no
C4 C5 C6 . . 122.5(4) no
C1 C6 C5 . . 118.7(4) no
C13 C8 C9 . . 118.8(4) no
C13 C8 S2 . . 122.5(3) no
C9 C8 S2 . . 118.7(3) no
C10 C9 C8 . . 119.3(5) no
C11 C10 C9 . . 123.0(5) no
C10 C11 C12 . . 116.9(5) no
C10 C11 C14 . . 122.1(6) no
C12 C11 C14 . . 121.1(6) no
C11 C12 C13 . . 122.1(5) no
C8 C13 C12 . . 119.9(4) no
N1 C15 C16 . . 123.3(3) no
C15 C16 C17 . . 120.0(3) no
C18 C17 C16 . . 116.3(3) no
C18 C17 C20 . . 122.2(3) no
C16 C17 C20 . . 121.6(3) no
C19 C18 C17 . . 120.1(3) no
N1 C19 C18 . . 123.5(3) no
C21 C20 C24 . . 116.4(3) no
C21 C20 C17 . . 121.6(3) no
C24 C20 C17 . . 121.9(3) no
C20 C21 C22 . . 120.2(3) no
N2 C22 C21 . . 123.2(3) no
N2 C23 C24 . . 123.4(3) no
C23 C24 C20 . . 119.7(3) no
C1 C2 H2 . . 119.9 no
C3 C2 H2 . . 119.9 no
C2 C3 H3 . . 119.3 no
C4 C3 H3 . . 119.3 no
C4 C5 H5 . . 118.7 no
C6 C5 H5 . . 118.8 no
C1 C6 H6 . . 120.6 no
C5 C6 H6 . . 120.6 no
C4 C7 H7a . . 109.5 no
C4 C7 H7b . . 109.5 no
H7a C7 H7b . . 109.5 no
C4 C7 H7C . . 109.5 no
H7a C7 H7C . . 109.5 no
H7b C7 H7C . . 109.5 no
C10 C9 H9 . . 120.3 no
C8 C9 H9 . . 120.3 no
C11 C10 H10 . . 118.5 no
C9 C10 H10 . . 118.5 no
C11 C12 H12 . . 118.9 no
C13 C12 H12 . . 118.9 no
C8 C13 H13 . . 120.1 no
C12 C13 H13 . . 120.1 no
C11 C14 H14a . . 109.5 no
C11 C14 H14b . . 109.5 no
H14a C14 H14b . . 109.5 no
C11 C14 H14C . . 109.5 no
H14a C14 H14C . . 109.5 no
H14b C14 H14C . . 109.5 no
N1 C15 H15 . . 118.4 no
C16 C15 H15 . . 118.4 no
C15 C16 H16 . . 120.0 no
C17 C16 H16 . . 120.0 no
C19 C18 H18 . . 120.0 no
C17 C18 H18 . . 120.0 no
N1 C19 H19 . . 118.2 no
C18 C19 H19 . . 118.2 no
C20 C21 H21 . . 119.9 no
C22 C21 H21 . . 119.9 no
N2 C22 H22 . . 118.4 no
C21 C22 H22 . . 118.4 no
N2 C23 H23 . . 118.3 no
C24 C23 H23 . . 118.3 no
C23 C24 H24 . . 120.1 no
C20 C24 H24 . . 120.1 no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Cd1 O1 . 2.310(2) yes
Cd1 O2 3_666 2.320(2) yes
Cd1 O5 3_766 2.289(2) yes
Cd1 O4 . 2.329(2) yes
Cd1 N1 . 2.324(2) yes
Cd1 N2 4_665 2.326(2) yes
S1 O3 . 1.446(2) no
S1 O1 . 1.467(2) no
S1 O2 . 1.471(2) no
S1 C1 . 1.781(3) no
S2 O6 . 1.442(3) no
S2 O5 . 1.459(2) no
S2 O4 . 1.465(2) no
S2 C8 . 1.778(4) no
N1 C19 . 1.341(4) no
N1 C15 . 1.341(4) no
N2 C22 . 1.339(4) no
N2 C23 . 1.340(4) no
C1 C2 . 1.382(5) no
C1 C6 . 1.389(5) no
C2 C3 . 1.385(5) no
C3 C4 . 1.386(6) no
C4 C5 . 1.367(6) no
C4 C7 . 1.524(6) no
C5 C6 . 1.399(5) no
C8 C13 . 1.359(5) no
C8 C9 . 1.382(6) no
C9 C10 . 1.372(7) no
C10 C11 . 1.356(8) no
C11 C12 . 1.357(7) no
C11 C14 . 1.540(7) no
C12 C13 . 1.390(6) no
C15 C16 . 1.387(4) no
C16 C17 . 1.400(4) no
C17 C18 . 1.390(4) no
C17 C20 . 1.488(4) no
C18 C19 . 1.386(4) no
C20 C21 . 1.383(4) no
C20 C24 . 1.409(4) no
C21 C22 . 1.391(4) no
C23 C24 . 1.382(4) no
C2 H2 . 0.93 no
C3 H3 . 0.93 no
C5 H5 . 0.93 no
C6 H6 . 0.93 no
C7 H7a . 0.96 no
C7 H7b . 0.96 no
C7 H7C . 0.96 no
C9 H9 . 0.93 no
C10 H10 . 0.93 no
C12 H12 . 0.93 no
C13 H13 . 0.93 no
C14 H14a . 0.96 no
C14 H14b . 0.96 no
C14 H14C . 0.96 no
C15 H15 . 0.93 no
C16 H16 . 0.93 no
C18 H18 . 0.93 no
C19 H19 . 0.93 no
C21 H21 . 0.93 no
C22 H22 . 0.93 no
C23 H23 . 0.93 no
C24 H24 . 0.93 no
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_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
O3 S1 O1 Cd1 . . -127.8(2) no
O2 S1 O1 Cd1 . . 1.7(3) no
C1 S1 O1 Cd1 . . 115.7(2) no
O5 Cd1 O1 S1 3_766 . -152.7(3) no
O2 Cd1 O1 S1 3_666 . 30.3(3) no
N1 Cd1 O1 S1 . . -60.3(2) no
N2 Cd1 O1 S1 4_665 . 178.8(3) no
O4 Cd1 O1 S1 . . 109.2(2) no
O3 S1 O2 Cd1 . 3_666 26.4(3) no
O1 S1 O2 Cd1 . 3_666 -102.6(3) no
C1 S1 O2 Cd1 . 3_666 142.9(3) no
O6 S2 O4 Cd1 . . -162.6(2) no
O5 S2 O4 Cd1 . . -34.6(3) no
C8 S2 O4 Cd1 . . 79.3(3) no
O5 Cd1 O4 S2 3_766 . 49.6(2) no
O1 Cd1 O4 S2 . . 129.7(2) no
O2 Cd1 O4 S2 3_666 . -129.5(2) no
N1 Cd1 O4 S2 . . -167.6(3) no
N2 Cd1 O4 S2 4_665 . -38.7(2) no
O6 S2 O5 Cd1 . 3_766 49.0(6) no
O4 S2 O5 Cd1 . 3_766 -78.8(6) no
C8 S2 O5 Cd1 . 3_766 165.9(6) no
O5 Cd1 N1 C19 3_766 . 151.2(3) no
O1 Cd1 N1 C19 . . 70.3(3) no
O2 Cd1 N1 C19 3_666 . -29.4(3) no
N2 Cd1 N1 C19 4_665 . -120.4(3) no
O4 Cd1 N1 C19 . . 8.1(6) no
O5 Cd1 N1 C15 3_766 . -28.3(3) no
O1 Cd1 N1 C15 . . -109.2(3) no
O2 Cd1 N1 C15 3_666 . 151.1(3) no
N2 Cd1 N1 C15 4_665 . 60.2(3) no
O4 Cd1 N1 C15 . . -171.4(4) no
O3 S1 C1 C2 . . -168.7(3) no
O1 S1 C1 C2 . . -47.6(3) no
O2 S1 C1 C2 . . 69.6(3) no
O3 S1 C1 C6 . . 12.4(3) no
O1 S1 C1 C6 . . 133.5(3) no
O2 S1 C1 C6 . . -109.3(3) no
C6 C1 C2 C3 . . -1.4(6) no
S1 C1 C2 C3 . . 179.8(4) no
C1 C2 C3 C4 . . -0.5(8) no
C2 C3 C4 C5 . . 1.3(8) no
C2 C3 C4 C7 . . -177.6(5) no
C3 C4 C5 C6 . . -0.2(8) no
C7 C4 C5 C6 . . 178.7(5) no
C2 C1 C6 C5 . . 2.4(6) no
S1 C1 C6 C5 . . -178.7(3) no
C4 C5 C6 C1 . . -1.7(7) no
O6 S2 C8 C13 . . -107.4(3) no
O5 S2 C8 C13 . . 132.3(3) no
O4 S2 C8 C13 . . 13.7(4) no
O6 S2 C8 C9 . . 73.2(5) no
O5 S2 C8 C9 . . -47.0(5) no
O4 S2 C8 C9 . . -165.7(4) no
C13 C8 C9 C10 . . 2.0(10) no
S2 C8 C9 C10 . . -178.8(6) no
C8 C9 C10 C11 . . -2.0(10) no
C9 C10 C11 C12 . . 1.0(10) no
C9 C10 C11 C14 . . -178.4(7) no
C10 C11 C12 C13 . . .0(10) no
C14 C11 C12 C13 . . 179.7(5) no
C9 C8 C13 C12 . . -0.5(7) no
S2 C8 C13 C12 . . -179.9(4) no
C11 C12 C13 C8 . . -0.5(8) no
C19 N1 C15 C16 . . 1.3(5) no
Cd1 N1 C15 C16 . . -179.2(3) no
N1 C15 C16 C17 . . 1.1(6) no
C15 C16 C17 C18 . . -3.0(6) no
C15 C16 C17 C20 . . 177.1(3) no
C16 C17 C18 C19 . . 2.6(5) no
C20 C17 C18 C19 . . -177.5(3) no
C15 N1 C19 C18 . . -1.7(5) no
Cd1 N1 C19 C18 . . 178.8(3) no
C17 C18 C19 N1 . . -0.3(6) no
C18 C17 C20 C21 . . 171.9(4) no
C16 C17 C20 C21 . . -8.2(5) no
C18 C17 C20 C24 . . -6.9(5) no
C16 C17 C20 C24 . . 173.0(4) no
C24 C20 C21 C22 . . 1.3(5) no
C17 C20 C21 C22 . . -177.5(3) no
C23 N2 C22 C21 . . -0.1(5) no
Cd1 N2 C22 C21 4_566 . 167.6(3) no
C20 C21 C22 N2 . . -1.3(6) no
C22 N2 C23 C24 . . 1.4(5) no
Cd1 N2 C23 C24 4_566 . -166.0(3) no
N2 C23 C24 C20 . . -1.3(6) no
C21 C20 C24 C23 . . -0.1(5) no
C17 C20 C24 C23 . . 178.7(3) no
