#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/49/2224952.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_2224952
loop_
_publ_author_name
'Coelho, Sara E.'
'Terra, Geovana G.'
'Bortoluzzi, Adailton J.'
_publ_section_title
;Di-μ-chlorido-bis{[2-({[2-(2-pyridyl)ethyl](2-pyridylmethyl)amino}methyl)phenol]zinc(II)}
 bis(perchlorate) dihydrate
;
_journal_coeditor_code           FJ2277
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m229
_journal_page_last               m230
_journal_paper_doi               10.1107/S1600536810003259
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Zn2 Cl2 (C20 H21 N3 O)2] (Cl O4)2, 2H2 O'
_chemical_formula_moiety
'C40 H42 Cl2 N6 O2 Zn2 2+, 2(Cl O4 -), 2(H2 O)'
_chemical_formula_sum            'C40 H46 Cl4 N6 O12 Zn2'
_chemical_formula_weight         1075.37
_chemical_name_systematic
;
Di-μ-chlorido-bis{[2-({[2-(2-pyridyl)ethyl](2-
pyridylmethyl)amino}methyl)phenol]zinc(II)} bis(perchlorate) dihydrate
;
_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 (Sheldrick, 2008)'
_cell_angle_alpha                90.00
_cell_angle_beta                 107.779(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.3394(14)
_cell_length_b                   13.2714(9)
_cell_length_c                   14.751(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      17.08
_cell_measurement_theta_min      8.26
_cell_volume                     2300.3(5)
_computing_cell_refinement
'SET4 in CAD-4 Software  (Enraf--Nonius, 1989)'
_computing_data_collection       'CAD-4 Software (Enraf--Nonius, 1989)'
_computing_data_reduction        'HELENA (Spek, 1996)'
_computing_molecular_graphics
'PLATON (Spek, 2009) and Mercury (Macrae et al.,  2006)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR97 (Altomare et al.,  1999)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Enraf--Nonius CAD-4 diffractometer'
_diffrn_measurement_method       ω--2θ
_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  0.0222
_diffrn_reflns_av_sigmaI/netI    0.0400
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            4253
_diffrn_reflns_theta_full        25.08
_diffrn_reflns_theta_max         25.08
_diffrn_reflns_theta_min         1.89
_diffrn_standards_decay_%        1
_diffrn_standards_interval_count 200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.341
_exptl_absorpt_correction_T_max  0.6659
_exptl_absorpt_correction_T_min  0.5536
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details
'[PLATON (Spek, 2009) and North et al. (1968)]'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.553
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'irregular block'
_exptl_crystal_F_000             1104
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.46
_exptl_crystal_size_min          0.33
_refine_diff_density_max         0.474
_refine_diff_density_min         -0.376
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     326
_refine_ls_number_reflns         4088
_refine_ls_number_restraints     124
_refine_ls_restrained_S_all      1.106
_refine_ls_R_factor_all          0.0855
_refine_ls_R_factor_gt           0.0422
_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)+(0.0568P)²+1.7250P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1066
_refine_ls_wR_factor_ref         0.1211
_reflns_number_gt                2810
_reflns_number_total             4088
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            fj2277.cif
_cod_data_source_block           I
_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 

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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        2300.2(5)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2224952
_cod_database_fobs_code          2224952
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn Zn1 0.62107(4) 0.44256(4) 0.58271(3) 0.05155(18) Uani d . 1 . .
Cl Cl1 0.47634(10) 0.38528(8) 0.44263(7) 0.0603(3) Uani d . 1 . .
O O10 0.6920(3) 0.2883(2) 0.5950(2) 0.0606(7) Uani d . 1 . .
H H10 0.6421 0.2376 0.5639 0.073 Uiso d R 1 . .
N N1 0.7553(3) 0.4677(3) 0.7236(2) 0.0572(9) Uani d . 1 . .
C C10 0.8077(4) 0.3716(4) 0.7702(3) 0.0635(12) Uani d . 1 . .
H H10A 0.7484 0.3298 0.7810 0.076 Uiso calc R 1 . .
H H10B 0.8612 0.3875 0.8319 0.076 Uiso calc R 1 . .
C C11 0.8689(4) 0.3121(3) 0.7133(3) 0.0576(11) Uani d . 1 . .
C C12 0.8065(4) 0.2698(3) 0.6261(3) 0.0531(10) Uani d . 1 . .
C C13 0.8592(4) 0.2119(3) 0.5741(3) 0.0645(12) Uani d . 1 . .
H H13 0.8176 0.1860 0.5152 0.077 Uiso calc R 1 . .
C C14 0.9746(5) 0.1929(4) 0.6105(4) 0.0788(15) Uani d . 1 . .
H H14 1.0102 0.1532 0.5761 0.095 Uiso calc R 1 . .
C C15 1.0369(5) 0.2315(4) 0.6964(4) 0.0830(16) Uani d . 1 . .
H H15 1.1143 0.2177 0.7205 0.100 Uiso calc R 1 . .
C C16 0.9841(4) 0.2916(4) 0.7478(4) 0.0757(14) Uani d . 1 . .
H H16 1.0269 0.3184 0.8060 0.091 Uiso calc R 1 . .
C C20 0.6837(4) 0.5105(4) 0.7793(3) 0.0656(12) Uani d . 1 . .
H H20A 0.6611 0.5785 0.7579 0.079 Uiso calc R 1 . .
H H20B 0.7276 0.5133 0.8462 0.079 Uiso calc R 1 . .
C C21 0.5802(4) 0.4470(3) 0.7672(3) 0.0613(11) Uani d . 1 . .
N N22 0.5338(3) 0.4064(3) 0.6806(2) 0.0550(9) Uani d . 1 . .
C C23 0.4413(4) 0.3488(4) 0.6644(4) 0.0654(12) Uani d . 1 . .
H H23 0.4105 0.3197 0.6046 0.078 Uiso calc R 1 . .
C C24 0.3901(5) 0.3313(4) 0.7336(4) 0.0838(16) Uani d . 1 . .
H H24 0.3257 0.2908 0.7210 0.101 Uiso calc R 1 . .
C C25 0.4356(6) 0.3747(5) 0.8221(4) 0.0969(19) Uani d . 1 . .
H H25 0.4010 0.3657 0.8693 0.116 Uiso calc R 1 . .
C C26 0.5320(5) 0.4309(4) 0.8391(4) 0.0836(16) Uani d . 1 . .
H H26 0.5654 0.4585 0.8992 0.100 Uiso calc R 1 . .
C C29 0.8489(4) 0.5393(4) 0.7227(4) 0.0754(14) Uani d . 1 . .
H H29A 0.9141 0.5008 0.7187 0.090 Uiso calc R 1 . .
H H29B 0.8717 0.5761 0.7824 0.090 Uiso calc R 1 . .
C C30 0.8161(5) 0.6143(4) 0.6411(4) 0.0844(16) Uani d . 1 . .
H H30A 0.7421 0.6425 0.6365 0.101 Uiso calc R 1 . .
H H30B 0.8708 0.6690 0.6547 0.101 Uiso calc R 1 . .
C C31 0.8117(5) 0.5679(4) 0.5478(4) 0.0785(15) Uani d . 1 . .
N N32 0.7396(3) 0.4907(3) 0.5160(3) 0.0622(9) Uani d . 1 . .
C C33 0.7388(5) 0.4462(4) 0.4339(4) 0.0786(15) Uani d . 1 . .
H H33 0.6886 0.3930 0.4117 0.094 Uiso calc R 1 . .
C C34 0.8076(7) 0.4745(6) 0.3813(5) 0.110(2) Uani d . 1 . .
H H34 0.8059 0.4407 0.3256 0.132 Uiso calc R 1 . .
C C35 0.8784(7) 0.5538(7) 0.4133(7) 0.131(3) Uani d . 1 . .
H H35 0.9246 0.5761 0.3779 0.157 Uiso calc R 1 . .
C C36 0.8832(5) 0.6015(5) 0.4963(6) 0.105(2) Uani d . 1 . .
H H36 0.9328 0.6551 0.5183 0.126 Uiso calc R 1 . .
O O1W 0.5727(3) 0.1334(3) 0.5140(3) 0.1020(13) Uani d . 1 . .
H H1WA 0.5020 0.1486 0.4914 0.122 Uiso d R 1 . .
H H1WB 0.5999 0.1120 0.4716 0.122 Uiso d R 1 . .
Cl Cl2 0.30150(12) 0.07028(13) 0.58931(11) 0.0868(4) Uani d D 1 . .
O O1P 0.2155(15) 0.0026(14) 0.5614(12) 0.141(11) Uani d PDU 0.345(18) . .
O O1P' 0.2667(19) -0.0214(9) 0.5796(12) 0.312(16) Uani d PDU 0.655(18) . .
O O2P 0.3503(13) 0.0570(12) 0.5146(9) 0.094(6) Uani d PD 0.345(18) . .
O O2P' 0.3620(13) 0.0972(14) 0.5372(9) 0.280(13) Uani d PDU 0.655(18) . .
O O3P 0.3813(14) 0.0494(19) 0.6654(11) 0.32(3) Uani d PDU 0.345(18) . .
O O3P' 0.3603(13) 0.0915(9) 0.6789(5) 0.193(7) Uani d PDU 0.655(18) . .
O O4P 0.2611(19) 0.1602(10) 0.5814(18) 0.37(4) Uani d PDU 0.345(18) . .
O O4P' 0.2149(12) 0.1330(15) 0.5729(12) 0.333(16) Uani d PDU 0.655(18) . .
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'
Cl Cl 0.1484 0.1585 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
N32 Zn1 N22 . . 165.61(15) ?
N32 Zn1 O10 . . 90.28(13) ?
N22 Zn1 O10 . . 90.33(12) ?
N32 Zn1 N1 . . 88.07(14) ?
N22 Zn1 N1 . . 77.69(14) ?
O10 Zn1 N1 . . 84.28(12) ?
N32 Zn1 Cl1 . . 97.72(11) ?
N22 Zn1 Cl1 . . 96.67(11) ?
O10 Zn1 Cl1 . . 87.09(8) ?
N1 Zn1 Cl1 . . 169.64(10) ?
N32 Zn1 Cl1 . 3_666 91.34(10) ?
N22 Zn1 Cl1 . 3_666 89.29(10) ?
O10 Zn1 Cl1 . 3_666 174.95(8) ?
N1 Zn1 Cl1 . 3_666 100.55(9) ?
Cl1 Zn1 Cl1 . 3_666 87.95(4) ?
Zn1 Cl1 Zn1 . 3_666 92.05(4) ?
C12 O10 Zn1 . . 122.4(2) ?
C12 O10 H10 . . 119.6 ?
Zn1 O10 H10 . . 116.2 ?
C20 N1 C10 . . 108.4(3) ?
C20 N1 C29 . . 110.6(4) ?
C10 N1 C29 . . 108.5(4) ?
C20 N1 Zn1 . . 100.0(2) ?
C10 N1 Zn1 . . 113.0(3) ?
C29 N1 Zn1 . . 116.0(3) ?
N1 C10 C11 . . 114.1(3) ?
N1 C10 H10A . . 108.7 ?
C11 C10 H10A . . 108.7 ?
N1 C10 H10B . . 108.7 ?
C11 C10 H10B . . 108.7 ?
H10A C10 H10B . . 107.6 ?
C16 C11 C12 . . 118.3(4) ?
C16 C11 C10 . . 122.0(4) ?
C12 C11 C10 . . 119.5(4) ?
O10 C12 C13 . . 121.8(4) ?
O10 C12 C11 . . 117.3(4) ?
C13 C12 C11 . . 120.9(4) ?
C12 C13 C14 . . 119.3(5) ?
C12 C13 H13 . . 120.3 ?
C14 C13 H13 . . 120.3 ?
C15 C14 C13 . . 120.8(5) ?
C15 C14 H14 . . 119.6 ?
C13 C14 H14 . . 119.6 ?
C14 C15 C16 . . 119.8(5) ?
C14 C15 H15 . . 120.1 ?
C16 C15 H15 . . 120.1 ?
C11 C16 C15 . . 120.8(5) ?
C11 C16 H16 . . 119.6 ?
C15 C16 H16 . . 119.6 ?
N1 C20 C21 . . 110.4(3) ?
N1 C20 H20A . . 109.6 ?
C21 C20 H20A . . 109.6 ?
N1 C20 H20B . . 109.6 ?
C21 C20 H20B . . 109.6 ?
H20A C20 H20B . . 108.1 ?
N22 C21 C26 . . 120.6(5) ?
N22 C21 C20 . . 116.1(4) ?
C26 C21 C20 . . 123.2(4) ?
C23 N22 C21 . . 119.6(4) ?
C23 N22 Zn1 . . 126.7(3) ?
C21 N22 Zn1 . . 113.7(3) ?
N22 C23 C24 . . 121.7(5) ?
N22 C23 H23 . . 119.1 ?
C24 C23 H23 . . 119.1 ?
C23 C24 C25 . . 119.0(5) ?
C23 C24 H24 . . 120.5 ?
C25 C24 H24 . . 120.5 ?
C26 C25 C24 . . 119.0(5) ?
C26 C25 H25 . . 120.5 ?
C24 C25 H25 . . 120.5 ?
C25 C26 C21 . . 120.0(5) ?
C25 C26 H26 . . 120.0 ?
C21 C26 H26 . . 120.0 ?
N1 C29 C30 . . 113.7(4) ?
N1 C29 H29A . . 108.8 ?
C30 C29 H29A . . 108.8 ?
N1 C29 H29B . . 108.8 ?
C30 C29 H29B . . 108.8 ?
H29A C29 H29B . . 107.7 ?
C31 C30 C29 . . 112.7(4) ?
C31 C30 H30A . . 109.0 ?
C29 C30 H30A . . 109.0 ?
C31 C30 H30B . . 109.0 ?
C29 C30 H30B . . 109.0 ?
H30A C30 H30B . . 107.8 ?
N32 C31 C36 . . 120.9(6) ?
N32 C31 C30 . . 118.0(4) ?
C36 C31 C30 . . 121.2(6) ?
C33 N32 C31 . . 118.1(4) ?
C33 N32 Zn1 . . 118.4(3) ?
C31 N32 Zn1 . . 123.4(3) ?
N32 C33 C34 . . 123.8(6) ?
N32 C33 H33 . . 118.1 ?
C34 C33 H33 . . 118.1 ?
C35 C34 C33 . . 117.5(7) ?
C35 C34 H34 . . 121.3 ?
C33 C34 H34 . . 121.3 ?
C34 C35 C36 . . 121.2(7) ?
C34 C35 H35 . . 119.4 ?
C36 C35 H35 . . 119.4 ?
C35 C36 C31 . . 118.5(7) ?
C35 C36 H36 . . 120.7 ?
C31 C36 H36 . . 120.7 ?
H1WA O1W H1WB . . 112.3 ?
O2P' Cl2 O1P' . . 115.8(9) ?
O3P Cl2 O4P . . 117.1(10) ?
O2P' Cl2 O4P' . . 107.6(9) ?
O1P' Cl2 O4P' . . 110.7(7) ?
O2P' Cl2 O3P' . . 107.3(7) ?
O1P' Cl2 O3P' . . 111.9(8) ?
O4P' Cl2 O3P' . . 102.4(7) ?
O3P Cl2 O1P . . 116.5(11) ?
O4P Cl2 O1P . . 110.0(8) ?
O3P Cl2 O2P . . 105.0(9) ?
O4P Cl2 O2P . . 106.8(11) ?
O1P Cl2 O2P . . 99.2(8) ?
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
Zn1 N32 . 2.096(4) ?
Zn1 N22 . 2.103(3) ?
Zn1 O10 . 2.212(3) ?
Zn1 N1 . 2.252(3) ?
Zn1 Cl1 . 2.4048(12) ?
Zn1 Cl1 3_666 2.5555(12) ?
Cl1 Zn1 3_666 2.5555(12) ?
O10 C12 . 1.368(5) ?
O10 H10 . 0.9333 ?
N1 C20 . 1.491(5) ?
N1 C10 . 1.498(6) ?
N1 C29 . 1.499(6) ?
C10 C11 . 1.512(6) ?
C10 H10A . 0.9700 ?
C10 H10B . 0.9700 ?
C11 C16 . 1.383(6) ?
C11 C12 . 1.400(6) ?
C12 C13 . 1.380(6) ?
C13 C14 . 1.383(7) ?
C13 H13 . 0.9300 ?
C14 C15 . 1.365(8) ?
C14 H14 . 0.9300 ?
C15 C16 . 1.391(7) ?
C15 H15 . 0.9300 ?
C16 H16 . 0.9300 ?
C20 C21 . 1.494(7) ?
C20 H20A . 0.9700 ?
C20 H20B . 0.9700 ?
C21 N22 . 1.344(5) ?
C21 C26 . 1.382(6) ?
N22 C23 . 1.334(6) ?
C23 C24 . 1.374(6) ?
C23 H23 . 0.9300 ?
C24 C25 . 1.380(8) ?
C24 H24 . 0.9300 ?
C25 C26 . 1.360(8) ?
C25 H25 . 0.9300 ?
C26 H26 . 0.9300 ?
C29 C30 . 1.519(7) ?
C29 H29A . 0.9700 ?
C29 H29B . 0.9700 ?
C30 C31 . 1.494(8) ?
C30 H30A . 0.9700 ?
C30 H30B . 0.9700 ?
C31 N32 . 1.345(6) ?
C31 C36 . 1.400(8) ?
N32 C33 . 1.344(6) ?
C33 C34 . 1.366(8) ?
C33 H33 . 0.9300 ?
C34 C35 . 1.358(11) ?
C34 H34 . 0.9300 ?
C35 C36 . 1.364(10) ?
C35 H35 . 0.9300 ?
C36 H36 . 0.9300 ?
O1W H1WA . 0.8581 ?
O1W H1WB . 0.8444 ?
Cl2 O2P' . 1.274(9) ?
Cl2 O3P . 1.277(11) ?
Cl2 O1P' . 1.283(10) ?
Cl2 O4P . 1.284(11) ?
Cl2 O4P' . 1.318(10) ?
Cl2 O3P' . 1.329(8) ?
Cl2 O1P . 1.354(10) ?
Cl2 O2P . 1.418(10) ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
O10 H10 O1W . 0.93 1.67 2.598(4) 170 y
O1W H1WA O2P . 0.86 2.34 2.928(15) 126 y
O1W H1WA O2P' . 0.86 2.15 2.766(13) 128 ?
O1W H1WB O1P' 3_656 0.84 2.34 3.117(19) 153 ?
O1W H1WB O2P 3_656 0.84 2.32 2.777(15) 114 y
C35 H35 Cg 3_766 0.93 3.14 3.944 148 y
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
N32 Zn1 Cl1 Zn1 . . . 3_666 -91.08(11) ?
N22 Zn1 Cl1 Zn1 . . . 3_666 89.05(10) ?
O10 Zn1 Cl1 Zn1 . . . 3_666 179.03(8) ?
N1 Zn1 Cl1 Zn1 . . . 3_666 145.4(5) ?
N32 Zn1 O10 C12 . . . . 45.9(3) ?
N22 Zn1 O10 C12 . . . . -119.7(3) ?
N1 Zn1 O10 C12 . . . . -42.1(3) ?
Cl1 Zn1 O10 C12 . . . . 143.6(3) ?
N32 Zn1 N1 C20 . . . . 141.0(3) ?
N22 Zn1 N1 C20 . . . . -37.0(3) ?
O10 Zn1 N1 C20 . . . . -128.6(3) ?
Cl1 Zn1 N1 C20 . . . . -94.8(6) ?
Cl1 Zn1 N1 C20 3_666 . . . 50.0(3) ?
N32 Zn1 N1 C10 . . . . -104.0(3) ?
N22 Zn1 N1 C10 . . . . 78.0(3) ?
O10 Zn1 N1 C10 . . . . -13.5(3) ?
Cl1 Zn1 N1 C10 . . . . 20.2(7) ?
Cl1 Zn1 N1 C10 3_666 . . . 165.0(3) ?
N32 Zn1 N1 C29 . . . . 22.2(3) ?
N22 Zn1 N1 C29 . . . . -155.8(3) ?
O10 Zn1 N1 C29 . . . . 112.6(3) ?
Cl1 Zn1 N1 C29 . . . . 146.4(5) ?
Cl1 Zn1 N1 C29 3_666 . . . -68.8(3) ?
C20 N1 C10 C11 . . . . 171.6(4) ?
C29 N1 C10 C11 . . . . -68.3(5) ?
Zn1 N1 C10 C11 . . . . 61.8(4) ?
N1 C10 C11 C16 . . . . 118.6(5) ?
N1 C10 C11 C12 . . . . -66.2(5) ?
Zn1 O10 C12 C13 . . . . -126.7(4) ?
Zn1 O10 C12 C11 . . . . 53.2(4) ?
C16 C11 C12 O10 . . . . 177.9(4) ?
C10 C11 C12 O10 . . . . 2.5(6) ?
C16 C11 C12 C13 . . . . -2.2(6) ?
C10 C11 C12 C13 . . . . -177.6(4) ?
O10 C12 C13 C14 . . . . -177.9(4) ?
C11 C12 C13 C14 . . . . 2.2(6) ?
C12 C13 C14 C15 . . . . -0.8(7) ?
C13 C14 C15 C16 . . . . -0.6(8) ?
C12 C11 C16 C15 . . . . 0.8(7) ?
C10 C11 C16 C15 . . . . 176.1(5) ?
C14 C15 C16 C11 . . . . 0.6(8) ?
C10 N1 C20 C21 . . . . -70.2(4) ?
C29 N1 C20 C21 . . . . 171.0(4) ?
Zn1 N1 C20 C21 . . . . 48.2(4) ?
N1 C20 C21 N22 . . . . -36.3(5) ?
N1 C20 C21 C26 . . . . 144.7(4) ?
C26 C21 N22 C23 . . . . -1.0(6) ?
C20 C21 N22 C23 . . . . 179.9(4) ?
C26 C21 N22 Zn1 . . . . 179.4(4) ?
C20 C21 N22 Zn1 . . . . 0.4(5) ?
N32 Zn1 N22 C23 . . . . -166.2(5) ?
O10 Zn1 N22 C23 . . . . -73.8(4) ?
N1 Zn1 N22 C23 . . . . -157.9(4) ?
Cl1 Zn1 N22 C23 . . . . 13.3(4) ?
Cl1 Zn1 N22 C23 3_666 . . . 101.2(4) ?
N32 Zn1 N22 C21 . . . . 13.3(7) ?
O10 Zn1 N22 C21 . . . . 105.7(3) ?
N1 Zn1 N22 C21 . . . . 21.6(3) ?
Cl1 Zn1 N22 C21 . . . . -167.2(3) ?
Cl1 Zn1 N22 C21 3_666 . . . -79.3(3) ?
C21 N22 C23 C24 . . . . 1.5(7) ?
Zn1 N22 C23 C24 . . . . -179.1(4) ?
N22 C23 C24 C25 . . . . 0.1(8) ?
C23 C24 C25 C26 . . . . -2.1(9) ?
C24 C25 C26 C21 . . . . 2.5(9) ?
N22 C21 C26 C25 . . . . -1.0(8) ?
C20 C21 C26 C25 . . . . 178.0(5) ?
C20 N1 C29 C30 . . . . -89.1(5) ?
C10 N1 C29 C30 . . . . 152.1(4) ?
Zn1 N1 C29 C30 . . . . 23.7(5) ?
N1 C29 C30 C31 . . . . -74.9(6) ?
C29 C30 C31 N32 . . . . 59.3(6) ?
C29 C30 C31 C36 . . . . -118.6(6) ?
C36 C31 N32 C33 . . . . 0.6(7) ?
C30 C31 N32 C33 . . . . -177.3(4) ?
C36 C31 N32 Zn1 . . . . -175.2(4) ?
C30 C31 N32 Zn1 . . . . 6.9(6) ?
N22 Zn1 N32 C33 . . . . 152.3(5) ?
O10 Zn1 N32 C33 . . . . 59.9(3) ?
N1 Zn1 N32 C33 . . . . 144.1(3) ?
Cl1 Zn1 N32 C33 . . . . -27.2(3) ?
Cl1 Zn1 N32 C33 3_666 . . . -115.3(3) ?
N22 Zn1 N32 C31 . . . . -32.0(8) ?
O10 Zn1 N32 C31 . . . . -124.4(4) ?
N1 Zn1 N32 C31 . . . . -40.1(4) ?
Cl1 Zn1 N32 C31 . . . . 148.5(4) ?
Cl1 Zn1 N32 C31 3_666 . . . 60.4(4) ?
C31 N32 C33 C34 . . . . 0.4(7) ?
Zn1 N32 C33 C34 . . . . 176.4(4) ?
N32 C33 C34 C35 . . . . -1.6(9) ?
C33 C34 C35 C36 . . . . 1.9(11) ?
C34 C35 C36 C31 . . . . -1.0(11) ?
N32 C31 C36 C35 . . . . -0.3(9) ?
C30 C31 C36 C35 . . . . 177.6(6) ?
