#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/42/4504282.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_4504282
loop_
_publ_author_name
'Liu, Yuan-Yuan'
'Huang, Yong-Quan'
'Shi, Wei'
'Cheng, Peng'
'Liao, Dai-Zheng'
'Yan, Shi-Ping'
_publ_section_title
;
 Syntheses, Structures, and Characterization of a Series of Novel Zinc(II)
 and Cadmium(II) Compounds Based on 2,6-Di-(1,2,4-triazole-4-yl)pyridine
;
_journal_issue                   8
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              1483
_journal_paper_doi               10.1021/cg070208x
_journal_volume                  7
_journal_year                    2007
_chemical_formula_sum            'C22 H19 N17 O1.5 S3 Zn1.5'
_chemical_formula_weight         739.78
_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                103.492(2)
_cell_angle_beta                 99.696(2)
_cell_angle_gamma                104.7180(10)
_cell_formula_units_Z            2
_cell_length_a                   9.1032(11)
_cell_length_b                   10.8342(13)
_cell_length_c                   17.829(3)
_cell_measurement_reflns_used    4559
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.78
_cell_measurement_theta_min      2.38
_cell_volume                     1604.6(4)
_computing_cell_refinement       'Bruker SMART APEX II'
_computing_data_collection       'Bruker SMART APEX II'
_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      293(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'APEX II 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  0.0118
_diffrn_reflns_av_sigmaI/netI    0.0206
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            8751
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.03
_exptl_absorpt_coefficient_mu    1.375
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.722989
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            YELLOW
_exptl_crystal_density_diffrn    1.531
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             750
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.888
_refine_diff_density_min         -0.451
_refine_diff_density_rms         0.095
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     430
_refine_ls_number_reflns         5608
_refine_ls_number_restraints     35
_refine_ls_restrained_S_all      1.093
_refine_ls_R_factor_all          0.0433
_refine_ls_R_factor_gt           0.0376
_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)+(0.0929P)²+0.5228P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1277
_refine_ls_wR_factor_ref         0.1325
_reflns_number_gt                4842
_reflns_number_total             5608
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg070208xsi20070302_020110.cif
_cod_data_source_block           51030b
_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.

'_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 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'NONE' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C22 H19 N17 O1.50 S3 Zn1.50'
_cod_database_code               4504282
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
Zn1 Zn 0.5000 1.0000 0.5000 0.02371(14) Uani 1 2 d S . .
Zn2 Zn 0.81887(4) 0.62875(4) 0.82061(2) 0.04609(16) Uani 1 1 d . . .
S1 S 0.93250(12) 1.04004(11) 0.76037(7) 0.0621(3) Uani 1 1 d . . .
S2 S 0.39706(10) 0.39707(9) 0.60495(6) 0.0490(2) Uani 1 1 d . . .
S3 S 1.22764(13) 0.44685(14) 0.79717(7) 0.0761(4) Uani 1 1 d . . .
N1 N 0.4425(3) 1.0696(2) 0.61217(14) 0.0302(5) Uani 1 1 d . . .
N2 N 0.2957(3) 1.0694(3) 0.62394(15) 0.0370(6) Uani 1 1 d . . .
N3 N 0.4700(3) 1.1634(2) 0.73781(14) 0.0306(5) Uani 1 1 d . . .
N4 N 0.4320(3) 1.2412(3) 0.86259(14) 0.0346(6) Uani 1 1 d . . .
N5 N 0.3672(3) 1.3093(3) 0.98176(15) 0.0418(6) Uani 1 1 d . . .
N6 N 0.2447(3) 1.3437(3) 1.07500(16) 0.0497(7) Uani 1 1 d . . .
N7 N 0.1341(4) 1.2959(5) 1.00310(19) 0.0771(12) Uani 1 1 d . . .
N8 N 0.6177(3) 0.8857(2) 0.55435(13) 0.0264(5) Uani 1 1 d . . .
N9 N 0.5382(3) 0.8019(3) 0.59225(16) 0.0366(6) Uani 1 1 d . . .
N10 N 0.7618(2) 0.7646(2) 0.58542(14) 0.0261(5) Uani 1 1 d . . .
N11 N 0.8350(2) 0.5769(2) 0.59055(14) 0.0266(5) Uani 1 1 d . . .
N12 N 0.8850(2) 0.3772(2) 0.58814(14) 0.0278(5) Uani 1 1 d . . .
N13 N 0.7199(3) 0.1749(2) 0.54663(14) 0.0282(5) Uani 1 1 d . . .
N14 N 0.8700(3) 0.1667(2) 0.57350(16) 0.0385(6) Uani 1 1 d . . .
N15 N 0.8757(4) 0.7985(4) 0.7967(2) 0.0673(9) Uani 1 1 d . . .
N16 N 0.6270(4) 0.5075(4) 0.7444(2) 0.0611(9) Uani 1 1 d . . .
N17 N 0.9856(4) 0.5486(4) 0.8239(2) 0.0704(10) Uani 1 1 d . . .
C1 C 0.5425(3) 1.1257(3) 0.68023(17) 0.0340(6) Uani 1 1 d . . .
H1 H 0.6496 1.1383 0.6884 0.041 Uiso 1 1 calc R . .
C2 C 0.3168(3) 1.1262(3) 0.69882(19) 0.0392(7) Uani 1 1 d . . .
H2 H 0.2372 1.1400 0.7230 0.047 Uiso 1 1 calc R . .
C3 C 0.5363(3) 1.2281(3) 0.82062(17) 0.0331(6) Uani 1 1 d . . .
C4 C 0.6958(4) 1.2703(4) 0.8526(2) 0.0483(9) Uani 1 1 d . . .
H4 H 0.7653 1.2598 0.8206 0.058 Uiso 1 1 calc R . .
C5 C 0.7479(4) 1.3284(4) 0.9331(2) 0.0541(10) Uani 1 1 d . . .
H5 H 0.8546 1.3576 0.9568 0.065 Uiso 1 1 calc R . .
C6 C 0.6425(4) 1.3436(4) 0.9790(2) 0.0494(9) Uani 1 1 d . . .
H6 H 0.6750 1.3827 1.0338 0.059 Uiso 1 1 calc R . .
C7 C 0.4873(4) 1.2981(3) 0.93986(18) 0.0383(7) Uani 1 1 d . . .
C8 C 0.3811(4) 1.3513(4) 1.06118(19) 0.0429(8) Uani 1 1 d . . .
H8 H 0.4747 1.3811 1.0999 0.051 Uiso 1 1 calc R . .
C9 C 0.2117(4) 1.2769(6) 0.9495(2) 0.0737(14) Uani 1 1 d . . .
H9 H 0.1664 1.2447 0.8951 0.088 Uiso 1 1 calc R . .
C10 C 0.7501(3) 0.8628(3) 0.55199(16) 0.0284(6) Uani 1 1 d . . .
H10 H 0.8260 0.9074 0.5304 0.034 Uiso 1 1 calc R . .
C11 C 0.6271(3) 0.7311(3) 0.6093(2) 0.0360(7) Uani 1 1 d . . .
H11 H 0.6017 0.6655 0.6347 0.043 Uiso 1 1 calc R . .
C12 C 0.8840(3) 0.7047(3) 0.59344(16) 0.0259(5) Uani 1 1 d . . .
C13 C 1.0375(3) 0.7772(3) 0.60279(18) 0.0325(6) Uani 1 1 d . . .
H13 H 1.0652 0.8662 0.6034 0.039 Uiso 1 1 calc R . .
C14 C 1.1476(3) 0.7121(3) 0.6112(2) 0.0381(7) Uani 1 1 d . . .
H14 H 1.2527 0.7572 0.6179 0.046 Uiso 1 1 calc R . .
C15 C 1.1020(3) 0.5789(3) 0.60964(19) 0.0352(7) Uani 1 1 d . . .
H15 H 1.1749 0.5333 0.6162 0.042 Uiso 1 1 calc R . .
C16 C 0.9449(3) 0.5174(3) 0.59805(16) 0.0264(6) Uani 1 1 d . . .
C17 C 0.7336(3) 0.3009(3) 0.55646(18) 0.0302(6) Uani 1 1 d . . .
H17 H 0.6509 0.3339 0.5435 0.036 Uiso 1 1 calc R . .
C18 C 0.9635(3) 0.2874(3) 0.5968(2) 0.0377(7) Uani 1 1 d . . .
H18 H 1.0710 0.3103 0.6170 0.045 Uiso 1 1 calc R . .
C19 C 0.9002(4) 0.9002(4) 0.7826(2) 0.0530(9) Uani 1 1 d . . .
C20 C 0.5295(4) 0.4606(3) 0.6867(2) 0.0384(7) Uani 1 1 d . . .
C21 C 1.0860(4) 0.5061(4) 0.8130(2) 0.0510(9) Uani 1 1 d . . .
O1 O 0.3490(16) 0.8600(14) 0.8263(9) 0.188(5) Uani 0.50 1 d PDU A 1
C22 C 0.4896(18) 0.8567(16) 0.8012(9) 0.120(4) Uani 0.50 1 d PDU A 1
O1' O 0.3747(19) 0.8459(16) 0.9038(10) 0.205(6) Uani 0.50 1 d PDU B 2
C22' C 0.547(2) 0.901(2) 0.9236(13) 0.165(7) Uani 0.50 1 d PDU B 2
O2 O 0.8293(15) 0.0592(13) 0.0101(8) 0.183(5) Uani 0.50 1 d PDU . .
H2A H 0.8919 0.0191 -0.0064 0.275 Uiso 0.50 1 d PRD . .
H2B H 0.7328 0.0237 -0.0137 0.275 Uiso 0.50 1 d PRD . .
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'
Zn Zn 0.2839 1.4301 '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
N8 Zn1 N8 180.000(1) 2_676 .
N8 Zn1 N1 92.55(9) 2_676 .
N8 Zn1 N1 87.45(9) . .
N8 Zn1 N1 87.45(9) 2_676 2_676
N8 Zn1 N1 92.55(9) . 2_676
N1 Zn1 N1 180.00(6) . 2_676
N8 Zn1 N13 90.66(8) 2_676 1_565
N8 Zn1 N13 89.34(8) . 1_565
N1 Zn1 N13 86.70(9) . 1_565
N1 Zn1 N13 93.30(9) 2_676 1_565
N8 Zn1 N13 89.34(8) 2_676 2_666
N8 Zn1 N13 90.66(8) . 2_666
N1 Zn1 N13 93.30(9) . 2_666
N1 Zn1 N13 86.70(9) 2_676 2_666
N13 Zn1 N13 180.0 1_565 2_666
N17 Zn2 N15 112.50(16) . .
N17 Zn2 N16 111.14(16) . .
N15 Zn2 N16 110.06(15) . .
N17 Zn2 N6 110.58(15) . 2_677
N15 Zn2 N6 109.10(14) . 2_677
N16 Zn2 N6 103.03(13) . 2_677
C1 N1 N2 107.7(2) . .
C1 N1 Zn1 125.25(19) . .
N2 N1 Zn1 126.96(18) . .
C2 N2 N1 106.0(2) . .
C1 N3 C2 104.1(2) . .
C1 N3 C3 128.8(2) . .
C2 N3 C3 127.1(2) . .
C3 N4 C7 116.4(3) . .
C9 N5 C8 104.2(3) . .
C9 N5 C7 126.9(3) . .
C8 N5 C7 128.8(3) . .
C8 N6 N7 108.6(3) . .
C8 N6 Zn2 129.7(2) . 2_677
N7 N6 Zn2 121.3(2) . 2_677
C9 N7 N6 105.4(3) . .
C10 N8 N9 107.9(2) . .
C10 N8 Zn1 132.54(19) . .
N9 N8 Zn1 118.88(16) . .
C11 N9 N8 105.9(2) . .
C10 N10 C11 104.5(2) . .
C10 N10 C12 129.4(2) . .
C11 N10 C12 126.1(2) . .
C16 N11 C12 116.0(2) . .
C17 N12 C18 104.1(2) . .
C17 N12 C16 125.6(2) . .
C18 N12 C16 129.7(2) . .
C17 N13 N14 107.1(2) . .
C17 N13 Zn1 127.96(19) . 1_545
N14 N13 Zn1 124.93(16) . 1_545
C18 N14 N13 106.4(2) . .
C19 N15 Zn2 175.6(4) . .
C20 N16 Zn2 159.8(3) . .
C21 N17 Zn2 167.6(4) . .
N1 C1 N3 110.6(3) . .
N1 C1 H1 124.7 . .
N3 C1 H1 124.7 . .
N2 C2 N3 111.6(3) . .
N2 C2 H2 124.2 . .
N3 C2 H2 124.2 . .
N4 C3 C4 124.1(3) . .
N4 C3 N3 114.1(3) . .
C4 C3 N3 121.9(3) . .
C5 C4 C3 117.5(3) . .
C5 C4 H4 121.3 . .
C3 C4 H4 121.3 . .
C4 C5 C6 120.1(3) . .
C4 C5 H5 119.9 . .
C6 C5 H5 119.9 . .
C7 C6 C5 116.5(3) . .
C7 C6 H6 121.7 . .
C5 C6 H6 121.7 . .
N4 C7 C6 125.3(3) . .
N4 C7 N5 113.4(3) . .
C6 C7 N5 121.3(3) . .
N6 C8 N5 109.8(3) . .
N6 C8 H8 125.1 . .
N5 C8 H8 125.1 . .
N7 C9 N5 112.0(3) . .
N7 C9 H9 124.0 . .
N5 C9 H9 124.0 . .
N8 C10 N10 110.2(2) . .
N8 C10 H10 124.9 . .
N10 C10 H10 124.9 . .
N9 C11 N10 111.5(3) . .
N9 C11 H11 124.3 . .
N10 C11 H11 124.3 . .
N11 C12 C13 125.0(2) . .
N11 C12 N10 114.1(2) . .
C13 C12 N10 120.9(2) . .
C14 C13 C12 117.0(3) . .
C14 C13 H13 121.5 . .
C12 C13 H13 121.5 . .
C13 C14 C15 120.0(3) . .
C13 C14 H14 120.0 . .
C15 C14 H14 120.0 . .
C16 C15 C14 117.2(3) . .
C16 C15 H15 121.4 . .
C14 C15 H15 121.4 . .
N11 C16 C15 124.8(3) . .
N11 C16 N12 113.9(2) . .
C15 C16 N12 121.3(2) . .
N13 C17 N12 110.8(2) . .
N13 C17 H17 124.6 . .
N12 C17 H17 124.6 . .
N14 C18 N12 111.7(3) . .
N14 C18 H18 124.2 . .
N12 C18 H18 124.2 . .
N15 C19 S1 178.4(4) . .
N16 C20 S2 178.4(3) . .
N17 C21 S3 179.6(4) . .
H2A O2 H2B 116.4 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 N8 2.122(2) 2_676
Zn1 N8 2.122(2) .
Zn1 N1 2.166(2) .
Zn1 N1 2.166(2) 2_676
Zn1 N13 2.251(2) 1_565
Zn1 N13 2.251(2) 2_666
Zn2 N17 1.930(3) .
Zn2 N15 1.946(4) .
Zn2 N16 1.956(3) .
Zn2 N6 2.020(3) 2_677
S1 C19 1.623(5) .
S2 C20 1.603(4) .
S3 C21 1.617(4) .
N1 C1 1.294(4) .
N1 N2 1.387(3) .
N2 C2 1.292(4) .
N3 C1 1.352(4) .
N3 C2 1.359(4) .
N3 C3 1.427(4) .
N4 C3 1.319(4) .
N4 C7 1.320(4) .
N5 C9 1.355(5) .
N5 C8 1.356(4) .
N5 C7 1.438(4) .
N6 C8 1.292(4) .
N6 N7 1.384(4) .
N6 Zn2 2.020(3) 2_677
N7 C9 1.291(5) .
N8 C10 1.297(3) .
N8 N9 1.387(3) .
N9 C11 1.294(4) .
N10 C10 1.353(3) .
N10 C11 1.356(4) .
N10 C12 1.426(3) .
N11 C16 1.325(3) .
N11 C12 1.328(3) .
N12 C17 1.358(4) .
N12 C18 1.367(4) .
N12 C16 1.434(3) .
N13 C17 1.306(4) .
N13 N14 1.401(3) .
N13 Zn1 2.251(2) 1_545
N14 C18 1.292(4) .
N15 C19 1.162(5) .
N16 C20 1.150(5) .
N17 C21 1.147(5) .
C1 H1 0.9300 .
C2 H2 0.9300 .
C3 C4 1.380(4) .
C4 C5 1.371(5) .
C4 H4 0.9300 .
C5 C6 1.378(5) .
C5 H5 0.9300 .
C6 C7 1.372(4) .
C6 H6 0.9300 .
C8 H8 0.9300 .
C9 H9 0.9300 .
C10 H10 0.9300 .
C11 H11 0.9300 .
C12 C13 1.379(4) .
C13 C14 1.371(4) .
C13 H13 0.9300 .
C14 C15 1.389(4) .
C14 H14 0.9300 .
C15 C16 1.373(4) .
C15 H15 0.9300 .
C17 H17 0.9300 .
C18 H18 0.9300 .
O1 C22 1.431(9) .
O1' C22' 1.474(10) .
O2 H2A 0.8505 .
O2 H2B 0.8521 .
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
N8 Zn1 N1 C1 -125.4(2) 2_676
N8 Zn1 N1 C1 54.6(2) .
N1 Zn1 N1 C1 31(100) 2_676
N13 Zn1 N1 C1 -34.9(2) 1_565
N13 Zn1 N1 C1 145.1(2) 2_666
N8 Zn1 N1 N2 50.9(2) 2_676
N8 Zn1 N1 N2 -129.1(2) .
N1 Zn1 N1 N2 -152(100) 2_676
N13 Zn1 N1 N2 141.4(2) 1_565
N13 Zn1 N1 N2 -38.6(2) 2_666
C1 N1 N2 C2 0.3(3) .
Zn1 N1 N2 C2 -176.5(2) .
C8 N6 N7 C9 0.2(5) .
Zn2 N6 N7 C9 -173.3(3) 2_677
N8 Zn1 N8 C10 25(100) 2_676
N1 Zn1 N8 C10 -138.1(3) .
N1 Zn1 N8 C10 41.9(3) 2_676
N13 Zn1 N8 C10 -51.3(3) 1_565
N13 Zn1 N8 C10 128.7(3) 2_666
N8 Zn1 N8 N9 -145(100) 2_676
N1 Zn1 N8 N9 52.3(2) .
N1 Zn1 N8 N9 -127.7(2) 2_676
N13 Zn1 N8 N9 139.0(2) 1_565
N13 Zn1 N8 N9 -41.0(2) 2_666
C10 N8 N9 C11 -1.2(3) .
Zn1 N8 N9 C11 170.8(2) .
C17 N13 N14 C18 -0.6(3) .
Zn1 N13 N14 C18 -178.6(2) 1_545
N17 Zn2 N15 C19 179(100) .
N16 Zn2 N15 C19 54(5) .
N6 Zn2 N15 C19 -58(5) 2_677
N17 Zn2 N16 C20 -101.6(10) .
N15 Zn2 N16 C20 23.7(10) .
N6 Zn2 N16 C20 140.0(9) 2_677
N15 Zn2 N17 C21 -48.0(18) .
N16 Zn2 N17 C21 75.9(18) .
N6 Zn2 N17 C21 -170.3(17) 2_677
N2 N1 C1 N3 0.1(3) .
Zn1 N1 C1 N3 176.92(18) .
C2 N3 C1 N1 -0.4(3) .
C3 N3 C1 N1 179.9(3) .
N1 N2 C2 N3 -0.5(4) .
C1 N3 C2 N2 0.5(4) .
C3 N3 C2 N2 -179.7(3) .
C7 N4 C3 C4 -0.3(5) .
C7 N4 C3 N3 178.7(3) .
C1 N3 C3 N4 -174.4(3) .
C2 N3 C3 N4 6.0(4) .
C1 N3 C3 C4 4.7(5) .
C2 N3 C3 C4 -174.9(3) .
N4 C3 C4 C5 0.6(6) .
N3 C3 C4 C5 -178.4(3) .
C3 C4 C5 C6 -0.4(6) .
C4 C5 C6 C7 0.0(6) .
C3 N4 C7 C6 -0.1(5) .
C3 N4 C7 N5 179.9(3) .
C5 C6 C7 N4 0.3(6) .
C5 C6 C7 N5 -179.8(3) .
C9 N5 C7 N4 -4.9(6) .
C8 N5 C7 N4 173.7(3) .
C9 N5 C7 C6 175.1(4) .
C8 N5 C7 C6 -6.3(6) .
N7 N6 C8 N5 -0.4(5) .
Zn2 N6 C8 N5 172.5(2) 2_677
C9 N5 C8 N6 0.3(5) .
C7 N5 C8 N6 -178.5(3) .
N6 N7 C9 N5 0.0(6) .
C8 N5 C9 N7 -0.2(6) .
C7 N5 C9 N7 178.7(4) .
N9 N8 C10 N10 1.3(3) .
Zn1 N8 C10 N10 -169.20(18) .
C11 N10 C10 N8 -0.8(3) .
C12 N10 C10 N8 177.8(2) .
N8 N9 C11 N10 0.7(3) .
C10 N10 C11 N9 0.1(3) .
C12 N10 C11 N9 -178.7(3) .
C16 N11 C12 C13 0.6(4) .
C16 N11 C12 N10 -179.8(2) .
C10 N10 C12 N11 -147.7(3) .
C11 N10 C12 N11 30.7(4) .
C10 N10 C12 C13 31.9(4) .
C11 N10 C12 C13 -149.7(3) .
N11 C12 C13 C14 -1.3(5) .
N10 C12 C13 C14 179.1(3) .
C12 C13 C14 C15 0.3(5) .
C13 C14 C15 C16 1.2(5) .
C12 N11 C16 C15 1.1(4) .
C12 N11 C16 N12 -175.2(2) .
C14 C15 C16 N11 -2.0(5) .
C14 C15 C16 N12 174.1(3) .
C17 N12 C16 N11 14.7(4) .
C18 N12 C16 N11 -175.3(3) .
C17 N12 C16 C15 -161.8(3) .
C18 N12 C16 C15 8.2(5) .
N14 N13 C17 N12 0.3(3) .
Zn1 N13 C17 N12 178.24(18) 1_545
C18 N12 C17 N13 0.1(3) .
C16 N12 C17 N13 172.2(2) .
N13 N14 C18 N12 0.7(4) .
C17 N12 C18 N14 -0.5(4) .
C16 N12 C18 N14 -172.2(3) .
Zn2 N15 C19 S1 -89(15) .
Zn2 N16 C20 S2 24(13) .
Zn2 N17 C21 S3 14(82) .
