#------------------------------------------------------------------------------
#$Date: 2016-03-24 14:16:31 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179658 $
#$URL: svn://www.crystallography.net/cod/cif/4/51/11/4511151.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_4511151
loop_
_publ_author_name
'Liu, Xun-Gao'
'Wang, Li-Yan'
'Zhu, Xia'
'Li, Bao-Long'
'Zhang, Yong'
_publ_section_title
;
 Structural Versatility of Eight Zinc(II) Coordination Polymers
 Constructed with a Long Flexible Ligand 1,4-Bis(1,2,4-triazol-1-yl)butane
;
_journal_issue                   9
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              3997
_journal_paper_doi               10.1021/cg900134f
_journal_volume                  9
_journal_year                    2009
_chemical_formula_sum            'C24 H36 Cl2 N18 O8 Zn'
_chemical_formula_weight         840.98
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           148
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            9
_cell_length_a                   18.9230(17)
_cell_length_b                   18.9230(17)
_cell_length_c                   25.307(2)
_cell_measurement_reflns_used    8906
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      25.3491
_cell_measurement_theta_min      3.2335
_cell_volume                     7847.9(12)
_computing_cell_refinement       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_collection       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2000)'
_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_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku Mercury CCD'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0456
_diffrn_reflns_av_sigmaI/netI    0.0267
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            25963
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         3.24
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.932
_exptl_absorpt_correction_T_max  0.8355
_exptl_absorpt_correction_T_min  0.7674
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   Empirical
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.601
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             3906
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.773
_refine_diff_density_min         -0.696
_refine_diff_density_rms         0.074
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.095
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     258
_refine_ls_number_reflns         3210
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.095
_refine_ls_R_factor_all          0.0584
_refine_ls_R_factor_gt           0.0524
_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)+(0.1036P)²+18.2419P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1541
_refine_ls_wR_factor_ref         0.1592
_reflns_number_gt                2937
_reflns_number_total             3210
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg900134f_si_002.cif
_cod_data_source_block           znbtbclo4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Trigonal' changed to 'trigonal'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' according to
/usr/data/users/saulius/automatic-downloads/retrospective/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      R-3
_cod_database_code               4511151
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
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
Zn1 Zn 0.6667 0.3333 0.49554(2) 0.0150(2) Uani 1 3 d S
Zn2 Zn 0.6667 0.3333 0.8333 0.0232(3) Uani 1 6 d S
Cl1 Cl 0.30215(6) -0.03046(6) 0.47118(4) 0.0356(3) Uani 1 1 d .
O1 O 0.2375(2) -0.0149(3) 0.4625(2) 0.0836(13) Uani 1 1 d .
O2 O 0.3792(3) 0.0400(3) 0.4732(2) 0.1013(17) Uani 1 1 d .
O3 O 0.3077(4) -0.0689(6) 0.4243(3) 0.117(3) Uani 0.80 1 d P
O4 O 0.2960(4) -0.0832(4) 0.5120(3) 0.111(2) Uani 0.80 1 d P
O3B O 0.2814(14) -0.1081(12) 0.4569(9) 0.064(6) Uani 0.20 1 d P
O4B O 0.2903(15) -0.0324(15) 0.5294(6) 0.066(6) Uani 0.20 1 d P
N1 N 0.89809(16) 0.41718(16) 0.57153(10) 0.0206(6) Uani 1 1 d .
N2 N 0.85581(18) 0.34616(19) 0.59845(12) 0.0316(7) Uani 1 1 d .
N3 N 0.77294(16) 0.36466(16) 0.54383(10) 0.0183(6) Uani 1 1 d .
N4 N 1.10701(16) 0.56507(17) 0.74049(10) 0.0222(6) Uani 1 1 d .
N5 N 1.15094(18) 0.63288(18) 0.71022(12) 0.0300(7) Uani 1 1 d .
N6 N 1.22707(15) 0.63083(16) 0.77798(10) 0.0179(6) Uani 1 1 d .
N7 N 0.63012(18) 0.49716(18) 0.92800(12) 0.0289(7) Uani 1 1 d .
N8 N 0.68922(19) 0.49839(19) 0.95956(13) 0.0354(7) Uani 1 1 d .
N9 N 0.67632(18) 0.42991(17) 0.88407(12) 0.0275(6) Uani 1 1 d .
C1 C 0.9863(2) 0.4710(2) 0.57912(13) 0.0273(8) Uani 1 1 d .
H1A H 1.0077 0.5116 0.5501 0.033 Uiso 1 1 calc R
H1B H 1.0135 0.4380 0.5768 0.033 Uiso 1 1 calc R
C2 C 1.0081(2) 0.5159(2) 0.63165(12) 0.0252(7) Uani 1 1 d .
H2A H 0.9712 0.5381 0.6378 0.030 Uiso 1 1 calc R
H2B H 1.0645 0.5626 0.6295 0.030 Uiso 1 1 calc R
C3 C 1.0022(2) 0.4628(2) 0.67872(13) 0.0258(7) Uani 1 1 d .
H3A H 0.9467 0.4146 0.6800 0.031 Uiso 1 1 calc R
H3B H 1.0413 0.4430 0.6737 0.031 Uiso 1 1 calc R
C4 C 1.02029(19) 0.5081(2) 0.73108(13) 0.0254(7) Uani 1 1 d .
H4A H 0.9905 0.5387 0.7322 0.030 Uiso 1 1 calc R
H4B H 0.9991 0.4676 0.7601 0.030 Uiso 1 1 calc R
C5 C 0.7811(2) 0.3172(2) 0.58103(13) 0.0270(8) Uani 1 1 d .
H5A H 0.7364 0.2674 0.5933 0.032 Uiso 1 1 calc R
C6 C 0.8482(2) 0.4272(2) 0.53964(12) 0.0211(7) Uani 1 1 d .
H6A H 0.8641 0.4728 0.5170 0.025 Uiso 1 1 calc R
C7 C 1.2223(2) 0.6699(2) 0.73405(12) 0.0243(7) Uani 1 1 d .
H7A H 1.2668 0.7198 0.7217 0.029 Uiso 1 1 calc R
C8 C 1.15280(19) 0.5655(2) 0.78020(12) 0.0216(7) Uani 1 1 d .
H8A H 1.1350 0.5246 0.8067 0.026 Uiso 1 1 calc R
C9 C 0.5270(2) 0.4831(2) 0.99072(14) 0.0310(8) Uani 1 1 d .
H9A H 0.5613 0.4837 1.0204 0.037 Uiso 1 1 calc R
H9B H 0.4922 0.4258 0.9791 0.037 Uiso 1 1 calc R
C10 C 0.5811(2) 0.5333(2) 0.94543(15) 0.0331(8) Uani 1 1 d .
H10A H 0.5472 0.5338 0.9158 0.040 Uiso 1 1 calc R
H10B H 0.6174 0.5903 0.9571 0.040 Uiso 1 1 calc R
C11 C 0.7151(2) 0.4573(2) 0.93131(14) 0.0322(8) Uani 1 1 d .
H11A H 0.7572 0.4476 0.9429 0.039 Uiso 1 1 calc R
C12 C 0.6233(2) 0.4571(2) 0.88409(14) 0.0283(8) Uani 1 1 d .
H12A H 0.5860 0.4486 0.8564 0.034 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'
Zn Zn 0.2839 1.4301 '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'
O O 0.0106 0.0060 '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
N3 Zn1 N3 91.32(9) . 3_665
N3 Zn1 N3 91.32(9) . 2_655
N3 Zn1 N3 91.32(9) 3_665 2_655
N3 Zn1 N6 88.32(9) . 8_644
N3 Zn1 N6 91.43(9) 3_665 8_644
N3 Zn1 N6 177.23(9) 2_655 8_644
N3 Zn1 N6 91.43(9) . 9_664
N3 Zn1 N6 177.23(9) 3_665 9_664
N3 Zn1 N6 88.33(9) 2_655 9_664
N6 Zn1 N6 88.93(9) 8_644 9_664
N3 Zn1 N6 177.22(9) . 7_444
N3 Zn1 N6 88.32(9) 3_665 7_444
N3 Zn1 N6 91.44(9) 2_655 7_444
N6 Zn1 N6 88.93(9) 8_644 7_444
N6 Zn1 N6 88.93(9) 9_664 7_444
N9 Zn2 N9 91.57(11) 3_665 16_656
N9 Zn2 N9 91.57(11) 3_665 17_556
N9 Zn2 N9 88.42(11) 16_656 17_556
N9 Zn2 N9 179.997(1) 3_665 18_546
N9 Zn2 N9 88.42(11) 16_656 18_546
N9 Zn2 N9 88.42(11) 17_556 18_546
N9 Zn2 N9 88.43(11) 3_665 2_655
N9 Zn2 N9 91.58(11) 16_656 2_655
N9 Zn2 N9 179.997(1) 17_556 2_655
N9 Zn2 N9 91.58(11) 18_546 2_655
N9 Zn2 N9 88.43(11) 3_665 .
N9 Zn2 N9 179.999(1) 16_656 .
N9 Zn2 N9 91.58(11) 17_556 .
N9 Zn2 N9 91.58(11) 18_546 .
N9 Zn2 N9 88.43(11) 2_655 .
O3B Cl1 O2 129.5(10) . .
O3B Cl1 O4 63.4(10) . .
O2 Cl1 O4 109.1(4) . .
O3B Cl1 O1 111.7(8) . .
O2 Cl1 O1 113.9(2) . .
O4 Cl1 O1 119.4(4) . .
O2 Cl1 O3 102.1(4) . .
O4 Cl1 O3 104.7(6) . .
O1 Cl1 O3 105.7(3) . .
O3B Cl1 O4B 106.1(13) . .
O2 Cl1 O4B 93.4(11) . .
O4 Cl1 O4B 45.1(7) . .
O1 Cl1 O4B 91.3(7) . .
O3 Cl1 O4B 149.6(9) . .
O3B O3 Cl1 65.0(8) . .
O4B O4 Cl1 71.6(8) . .
O4B O4 O3B 125.2(12) . .
Cl1 O4 O3B 57.1(8) . .
O3 O3B Cl1 70.7(12) . .
O3 O3B O4 125.2(16) . .
Cl1 O3B O4 59.4(7) . .
O4 O4B Cl1 63.3(9) . .
C6 N1 N2 109.8(3) . .
C6 N1 C1 128.6(3) . .
N2 N1 C1 121.6(3) . .
C5 N2 N1 103.0(3) . .
C6 N3 C5 102.7(3) . .
C6 N3 Zn1 129.4(2) . .
C5 N3 Zn1 127.2(2) . .
C8 N4 N5 109.4(3) . .
C8 N4 C4 128.1(3) . .
N5 N4 C4 122.2(3) . .
C7 N5 N4 103.0(3) . .
C8 N6 C7 102.3(3) . .
C8 N6 Zn1 130.0(2) . 4
C7 N6 Zn1 127.7(2) . 4
C12 N7 N8 110.3(3) . .
C12 N7 C10 128.3(3) . .
N8 N7 C10 121.3(3) . .
C11 N8 N7 102.4(3) . .
C12 N9 C11 102.6(3) . .
C12 N9 Zn2 124.2(2) . .
C11 N9 Zn2 130.1(2) . .
N1 C1 C2 113.5(3) . .
N1 C1 H1A 108.9 . .
C2 C1 H1A 108.9 . .
N1 C1 H1B 108.9 . .
C2 C1 H1B 108.9 . .
H1A C1 H1B 107.7 . .
C1 C2 C3 113.9(3) . .
C1 C2 H2A 108.8 . .
C3 C2 H2A 108.8 . .
C1 C2 H2B 108.8 . .
C3 C2 H2B 108.8 . .
H2A C2 H2B 107.7 . .
C4 C3 C2 112.8(3) . .
C4 C3 H3A 109.0 . .
C2 C3 H3A 109.0 . .
C4 C3 H3B 109.0 . .
C2 C3 H3B 109.0 . .
H3A C3 H3B 107.8 . .
N4 C4 C3 114.2(3) . .
N4 C4 H4A 108.7 . .
C3 C4 H4A 108.7 . .
N4 C4 H4B 108.7 . .
C3 C4 H4B 108.7 . .
H4A C4 H4B 107.6 . .
N2 C5 N3 114.2(3) . .
N2 C5 H5A 122.9 . .
N3 C5 H5A 122.9 . .
N3 C6 N1 110.4(3) . .
N3 C6 H6A 124.8 . .
N1 C6 H6A 124.8 . .
N5 C7 N6 114.4(3) . .
N5 C7 H7A 122.8 . .
N6 C7 H7A 122.8 . .
N4 C8 N6 111.0(3) . .
N4 C8 H8A 124.5 . .
N6 C8 H8A 124.5 . .
C10 C9 C9 110.8(4) . 10_667
C10 C9 H9A 109.5 . .
C9 C9 H9A 109.5 10_667 .
C10 C9 H9B 109.5 . .
C9 C9 H9B 109.5 10_667 .
H9A C9 H9B 108.1 . .
N7 C10 C9 108.8(3) . .
N7 C10 H10A 109.9 . .
C9 C10 H10A 109.9 . .
N7 C10 H10B 109.9 . .
C9 C10 H10B 109.9 . .
H10A C10 H10B 108.3 . .
N8 C11 N9 114.4(3) . .
N8 C11 H11A 122.8 . .
N9 C11 H11A 122.8 . .
N7 C12 N9 110.3(3) . .
N7 C12 H12A 124.9 . .
N9 C12 H12A 124.9 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 N3 2.167(2) .
Zn1 N3 2.167(2) 3_665
Zn1 N3 2.167(2) 2_655
Zn1 N6 2.191(3) 8_644
Zn1 N6 2.191(3) 9_664
Zn1 N6 2.191(3) 7_444
Zn2 N9 2.165(3) 3_665
Zn2 N9 2.165(3) 16_656
Zn2 N9 2.165(3) 17_556
Zn2 N9 2.165(3) 18_546
Zn2 N9 2.165(3) 2_655
Zn2 N9 2.165(3) .
Cl1 O3B 1.367(15) .
Cl1 O2 1.401(4) .
Cl1 O4 1.401(5) .
Cl1 O1 1.412(4) .
Cl1 O3 1.423(6) .
Cl1 O4B 1.489(15) .
O3 O3B 1.05(2) .
O4 O4B 1.111(18) .
O4 O3B 1.45(2) .
N1 C6 1.326(4) .
N1 N2 1.355(4) .
N1 C1 1.469(4) .
N2 C5 1.311(4) .
N3 C6 1.324(4) .
N3 C5 1.362(4) .
N4 C8 1.324(4) .
N4 N5 1.363(4) .
N4 C4 1.464(4) .
N5 C7 1.316(4) .
N6 C8 1.330(4) .
N6 C7 1.363(4) .
N6 Zn1 2.191(3) 4
N7 C12 1.315(5) .
N7 N8 1.365(4) .
N7 C10 1.469(4) .
N8 C11 1.317(5) .
N9 C12 1.336(5) .
N9 C11 1.362(5) .
C1 C2 1.519(4) .
C1 H1A 0.9900 .
C1 H1B 0.9900 .
C2 C3 1.526(5) .
C2 H2A 0.9900 .
C2 H2B 0.9900 .
C3 C4 1.521(4) .
C3 H3A 0.9900 .
C3 H3B 0.9900 .
C4 H4A 0.9900 .
C4 H4B 0.9900 .
C5 H5A 0.9500 .
C6 H6A 0.9500 .
C7 H7A 0.9500 .
C8 H8A 0.9500 .
C9 C10 1.514(5) .
C9 C9 1.525(7) 10_667
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C11 H11A 0.9500 .
C12 H12A 0.9500 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C4 H4B O1 0.99 2.63 3.537(6) 151.6 4
C4 H4B O2 0.99 2.63 3.409(5) 135.4 4
C2 H2A O3 0.99 2.62 3.351(8) 130.5 11_666
C9 H9A O3 0.99 2.62 3.334(7) 129.1 7
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
O2 Cl1 O3 O3B 135.3(12) .
O4 Cl1 O3 O3B 21.6(13) .
O1 Cl1 O3 O3B -105.3(12) .
O4B Cl1 O3 O3B 16(2) .
O3B Cl1 O4 O4B -159.5(18) .
O2 Cl1 O4 O4B 75.1(15) .
O1 Cl1 O4 O4B -58.3(15) .
O3 Cl1 O4 O4B -176.2(14) .
O2 Cl1 O4 O3B -125.4(11) .
O1 Cl1 O4 O3B 101.1(11) .
O3 Cl1 O4 O3B -16.8(11) .
O4B Cl1 O4 O3B 159.5(18) .
Cl1 O3 O3B O4 -24.9(13) .
O2 Cl1 O3B O3 -63.0(13) .
O4 Cl1 O3B O3 -156.5(14) .
O1 Cl1 O3B O3 90.4(12) .
O4B Cl1 O3B O3 -171.5(12) .
O2 Cl1 O3B O4 93.5(11) .
O1 Cl1 O3B O4 -113.1(6) .
O3 Cl1 O3B O4 156.5(14) .
O4B Cl1 O3B O4 -15.0(12) .
O4B O4 O3B O3 51(3) .
Cl1 O4 O3B O3 27.4(14) .
O4B O4 O3B Cl1 24(2) .
O3B O4 O4B Cl1 -21.1(18) .
O3B Cl1 O4B O4 19.1(16) .
O2 Cl1 O4B O4 -113.8(11) .
O1 Cl1 O4B O4 132.1(11) .
O3 Cl1 O4B O4 7(3) .
C6 N1 N2 C5 -0.4(4) .
C1 N1 N2 C5 179.8(3) .
N3 Zn1 N3 C6 -179.1(3) 3_665
N3 Zn1 N3 C6 -87.7(3) 2_655
N6 Zn1 N3 C6 89.5(3) 8_644
N6 Zn1 N3 C6 0.6(3) 9_664
N3 Zn1 N3 C5 12.2(3) 3_665
N3 Zn1 N3 C5 103.5(2) 2_655
N6 Zn1 N3 C5 -79.2(3) 8_644
N6 Zn1 N3 C5 -168.1(3) 9_664
C8 N4 N5 C7 0.7(4) .
C4 N4 N5 C7 174.9(3) .
C12 N7 N8 C11 0.0(4) .
C10 N7 N8 C11 177.0(3) .
N9 Zn2 N9 C12 -164.2(3) 3_665
N9 Zn2 N9 C12 104.2(3) 17_556
N9 Zn2 N9 C12 15.8(3) 18_546
N9 Zn2 N9 C12 -75.8(3) 2_655
N9 Zn2 N9 C11 -7.8(3) 3_665
N9 Zn2 N9 C11 -99.3(3) 17_556
N9 Zn2 N9 C11 172.2(3) 18_546
N9 Zn2 N9 C11 80.7(3) 2_655
C6 N1 C1 C2 107.7(4) .
N2 N1 C1 C2 -72.5(4) .
N1 C1 C2 C3 76.2(4) .
C1 C2 C3 C4 -177.1(3) .
C8 N4 C4 C3 -121.4(4) .
N5 N4 C4 C3 65.6(4) .
C2 C3 C4 N4 -76.1(4) .
N1 N2 C5 N3 1.0(4) .
C6 N3 C5 N2 -1.3(4) .
Zn1 N3 C5 N2 169.9(2) .
C5 N3 C6 N1 0.9(3) .
Zn1 N3 C6 N1 -169.9(2) .
N2 N1 C6 N3 -0.4(4) .
C1 N1 C6 N3 179.5(3) .
N4 N5 C7 N6 -0.5(4) .
C8 N6 C7 N5 0.1(4) .
Zn1 N6 C7 N5 178.0(2) 4
N5 N4 C8 N6 -0.7(4) .
C4 N4 C8 N6 -174.5(3) .
C7 N6 C8 N4 0.3(4) .
Zn1 N6 C8 N4 -177.4(2) 4
C12 N7 C10 C9 108.7(4) .
N8 N7 C10 C9 -67.6(4) .
C9 C9 C10 N7 -178.5(4) 10_667
N7 N8 C11 N9 -0.2(4) .
C12 N9 C11 N8 0.2(4) .
Zn2 N9 C11 N8 -160.0(3) .
N8 N7 C12 N9 0.1(4) .
C10 N7 C12 N9 -176.6(3) .
C11 N9 C12 N7 -0.2(4) .
Zn2 N9 C12 N7 161.5(2) .
