#------------------------------------------------------------------------------
#$Date: 2020-09-02 19:55:10 +0300 (Wed, 02 Sep 2020) $
#$Revision: 255805 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/31/63/4316343.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_4316343
loop_
_publ_author_name
'Kaushik Ghosh'
'Pramod Kumar'
'Nidhi Tyagi'
'Udai P. Singh'
_publ_section_title
;
 Novel Diphenoxo-Bridged Dinuclear Zinc Complexes: Generation of
 Phenoxyl-Radical Species and Nuclease Activity
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7614
_journal_page_last               7616
_journal_paper_doi               10.1021/ic1004837
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'C37 H30 Cl4 N6 O2 Zn2'
_chemical_formula_weight         863.20
_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                93.424(11)
_cell_angle_beta                 104.325(12)
_cell_angle_gamma                108.149(11)
_cell_formula_units_Z            2
_cell_length_a                   8.909(2)
_cell_length_b                   13.799(4)
_cell_length_c                   15.958(4)
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.36
_cell_measurement_theta_min      0.963
_cell_volume                     1786.2(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.963
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'φ oscillation'
_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  0.0838
_diffrn_reflns_av_sigmaI/netI    0.0842
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            39831
_diffrn_reflns_theta_full        28.36
_diffrn_reflns_theta_max         28.36
_diffrn_reflns_theta_min         1.33
_exptl_absorpt_coefficient_mu    1.686
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.605
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             876
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.780
_refine_diff_density_min         -0.878
_refine_diff_density_rms         0.215
_refine_ls_extinction_coef       0.0220(14)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.979
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     474
_refine_ls_number_reflns         8600
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.979
_refine_ls_R_factor_all          0.0887
_refine_ls_R_factor_gt           0.0515
_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)+(0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1288
_refine_ls_wR_factor_ref         0.1574
_reflns_number_gt                6016
_reflns_number_total             8600
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic1004837_si_001.cif
_cod_data_source_block           pkb
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

2020-09-02
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_weight         431.60
_cod_original_formula_units_Z            4
_cod_original_cell_volume        1786.1(8)
_cod_original_formula_sum        'C18.50 H15 Cl2 N3 O Zn'
_cod_database_code               4316343
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 0.37319(5) 0.15604(3) 0.69576(3) 0.01727(14) Uani 1 1 d . . .
Zn2 Zn 0.51024(5) 0.38914(3) 0.76824(3) 0.01735(15) Uani 1 1 d . . .
Cl1 Cl 0.48945(12) 0.04640(7) 0.65567(6) 0.0235(2) Uani 1 1 d . . .
Cl2 Cl 0.75952(12) 0.51313(8) 0.80253(6) 0.0240(2) Uani 1 1 d . . .
Cl3 Cl -0.01760(15) 0.28117(9) 0.74260(8) 0.0416(3) Uani 1 1 d . . .
Cl4 Cl -0.12061(16) 0.34479(9) 0.57312(9) 0.0431(3) Uani 1 1 d . . .
O1 O 0.5325(3) 0.2534(2) 0.80282(16) 0.0208(6) Uani 1 1 d . . .
O2 O 0.4365(3) 0.2954(2) 0.65259(15) 0.0194(6) Uani 1 1 d . . .
N1 N 0.2552(4) 0.0922(3) 0.7946(2) 0.0210(7) Uani 1 1 d . . .
N2 N 0.0938(4) 0.0349(3) 0.7593(2) 0.0205(7) Uani 1 1 d . . .
N3 N 0.1237(4) 0.1073(2) 0.63426(19) 0.0172(7) Uani 1 1 d . . .
N4 N 0.3475(4) 0.4599(2) 0.69761(19) 0.0178(7) Uani 1 1 d . . .
N5 N 0.3012(4) 0.5180(3) 0.7540(2) 0.0233(7) Uani 1 1 d . . .
N6 N 0.3783(4) 0.4153(2) 0.85383(19) 0.0195(7) Uani 1 1 d . . .
C1 C 0.5950(5) 0.2284(3) 0.8795(2) 0.0194(8) Uani 1 1 d . . .
C2 C 0.7609(5) 0.2807(3) 0.9260(3) 0.0247(9) Uani 1 1 d . . .
H2 H 0.8279 0.3290 0.9008 0.030 Uiso 1 1 calc R . .
C3 C 0.8245(5) 0.2614(3) 1.0078(3) 0.0269(9) Uani 1 1 d . . .
H3 H 0.9346 0.2960 1.0374 0.032 Uiso 1 1 calc R . .
C4 C 0.7252(5) 0.1897(3) 1.0474(3) 0.0277(9) Uani 1 1 d . . .
H4 H 0.7675 0.1791 1.1042 0.033 Uiso 1 1 calc R . .
C5 C 0.5662(5) 0.1358(3) 1.0021(3) 0.0252(9) Uani 1 1 d . . .
H5 H 0.5013 0.0879 1.0285 0.030 Uiso 1 1 calc R . .
C6 C 0.4972(5) 0.1505(3) 0.9166(2) 0.0220(9) Uani 1 1 d . . .
C7 C 0.3276(5) 0.0907(3) 0.8746(2) 0.0222(9) Uani 1 1 d . . .
H7 H 0.2674 0.0490 0.9070 0.027 Uiso 1 1 calc R . .
C8 C 0.0209(5) 0.0509(3) 0.6760(2) 0.0183(8) Uani 1 1 d . . .
C9 C -0.1479(5) 0.0105(3) 0.6394(2) 0.0223(9) Uani 1 1 d . . .
H9 H -0.2158 -0.0299 0.6692 0.022(10) Uiso 1 1 calc R . .
C10 C -0.2121(5) 0.0316(3) 0.5580(3) 0.0245(9) Uani 1 1 d . . .
H10 H -0.3250 0.0056 0.5318 0.026(11) Uiso 1 1 calc R . .
C11 C -0.1085(5) 0.0917(3) 0.5150(2) 0.0224(8) Uani 1 1 d . . .
H11 H -0.1508 0.1076 0.4602 0.019(10) Uiso 1 1 calc R . .
C12 C 0.0565(5) 0.1269(3) 0.5543(2) 0.0219(8) Uani 1 1 d . . .
H12 H 0.1261 0.1662 0.5248 0.013(9) Uiso 1 1 calc R . .
C13 C -0.0084(5) -0.0176(3) 0.8118(2) 0.0207(8) Uani 1 1 d . . .
C14 C -0.0713(5) 0.0378(3) 0.8607(3) 0.0253(9) Uani 1 1 d . . .
H14 H -0.0480 0.1083 0.8603 0.030 Uiso 1 1 calc R . .
C15 C -0.1697(5) -0.0139(3) 0.9103(3) 0.0283(10) Uani 1 1 d . . .
H15 H -0.2127 0.0221 0.9436 0.034 Uiso 1 1 calc R . .
C16 C -0.2039(5) -0.1183(3) 0.9104(3) 0.0281(10) Uani 1 1 d . . .
H16 H -0.2690 -0.1521 0.9444 0.034 Uiso 1 1 calc R . .
C17 C -0.1425(5) -0.1736(3) 0.8605(3) 0.0285(10) Uani 1 1 d . . .
H17 H -0.1665 -0.2442 0.8605 0.034 Uiso 1 1 calc R . .
C18 C -0.0445(5) -0.1223(3) 0.8103(3) 0.0272(9) Uani 1 1 d . . .
H18 H -0.0036 -0.1586 0.7759 0.033 Uiso 1 1 calc R . .
C19 C 0.4052(5) 0.3206(3) 0.5724(2) 0.0182(8) Uani 1 1 d . . .
C20 C 0.4269(5) 0.2615(3) 0.5044(2) 0.0227(9) Uani 1 1 d . . .
H20 H 0.4665 0.2075 0.5167 0.012(9) Uiso 1 1 calc R . .
C21 C 0.3902(5) 0.2825(3) 0.4199(2) 0.0247(9) Uani 1 1 d . . .
H21 H 0.4048 0.2424 0.3757 0.030 Uiso 1 1 calc R . .
C22 C 0.3315(5) 0.3629(3) 0.4002(2) 0.0248(9) Uani 1 1 d . . .
H22 H 0.3066 0.3766 0.3430 0.030 Uiso 1 1 calc R . .
C23 C 0.3103(5) 0.4222(3) 0.4658(2) 0.0210(8) Uani 1 1 d . . .
H23 H 0.2713 0.4762 0.4525 0.006(8) Uiso 1 1 calc R . .
C24 C 0.3466(5) 0.4026(3) 0.5528(2) 0.0187(8) Uani 1 1 d . . .
C25 C 0.3157(5) 0.4684(3) 0.6165(2) 0.0191(8) Uani 1 1 d . . .
H25 H 0.2711 0.5185 0.5973 0.023 Uiso 1 1 calc R . .
C26 C 0.3065(5) 0.4858(3) 0.8352(2) 0.0193(8) Uani 1 1 d . . .
C27 C 0.2318(5) 0.5235(3) 0.8911(3) 0.0264(9) Uani 1 1 d . . .
H27 H 0.1873 0.5751 0.8777 0.028(12) Uiso 1 1 calc R . .
C28 C 0.2269(5) 0.4812(3) 0.9665(3) 0.0274(10) Uani 1 1 d . . .
H28 H 0.1768 0.5036 1.0048 0.032(12) Uiso 1 1 calc R . .
C29 C 0.2964(5) 0.4052(3) 0.9858(3) 0.0271(9) Uani 1 1 d . . .
H29 H 0.2919 0.3751 1.0362 0.026(11) Uiso 1 1 calc R . .
C30 C 0.3719(5) 0.3756(3) 0.9288(2) 0.0244(9) Uani 1 1 d . . .
H30 H 0.4210 0.3259 0.9424 0.024(11) Uiso 1 1 calc R . .
C31 C 0.2799(5) 0.6147(3) 0.7365(2) 0.0215(8) Uani 1 1 d . . .
C32 C 0.4168(5) 0.7036(3) 0.7607(3) 0.0249(9) Uani 1 1 d . . .
H32 H 0.5195 0.6997 0.7880 0.029(12) Uiso 1 1 calc R . .
C33 C 0.4019(5) 0.7979(3) 0.7448(3) 0.0279(9) Uani 1 1 d . . .
H33 H 0.4934 0.8577 0.7630 0.017(10) Uiso 1 1 calc R . .
C34 C 0.2503(6) 0.8028(3) 0.7015(3) 0.0264(9) Uani 1 1 d . . .
H34 H 0.2397 0.8658 0.6894 0.055(16) Uiso 1 1 calc R . .
C35 C 0.1151(6) 0.7145(3) 0.6766(3) 0.0308(10) Uani 1 1 d . . .
H35 H 0.0133 0.7181 0.6474 0.037 Uiso 1 1 calc R . .
C36 C 0.1283(5) 0.6197(3) 0.6944(3) 0.0282(9) Uani 1 1 d . . .
H36 H 0.0358 0.5604 0.6782 0.034 Uiso 1 1 calc R . .
C37 C -0.1809(6) 0.2964(4) 0.6644(3) 0.0408(12) Uani 1 1 d . . .
H37A H -0.2233 0.3434 0.6908 0.049 Uiso 1 1 calc R . .
H37B H -0.2687 0.2304 0.6448 0.049 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'
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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Zn1 O2 76.20(10) . . ?
O1 Zn1 N3 137.54(11) . . ?
O2 Zn1 N3 97.87(11) . . ?
O1 Zn1 N1 80.83(11) . . ?
O2 Zn1 N1 135.90(11) . . ?
N3 Zn1 N1 74.92(12) . . ?
O1 Zn1 Cl1 108.49(8) . . ?
O2 Zn1 Cl1 115.59(7) . . ?
N3 Zn1 Cl1 111.72(9) . . ?
N1 Zn1 Cl1 107.20(9) . . ?
O1 Zn1 Zn2 40.50(7) . . ?
O2 Zn1 Zn2 40.18(7) . . ?
N3 Zn1 Zn2 111.67(8) . . ?
N1 Zn1 Zn2 101.25(9) . . ?
Cl1 Zn1 Zn2 132.75(4) . . ?
O2 Zn2 O1 76.16(10) . . ?
O2 Zn2 N6 131.11(12) . . ?
O1 Zn2 N6 98.48(11) . . ?
O2 Zn2 N4 82.50(11) . . ?
O1 Zn2 N4 144.91(12) . . ?
N6 Zn2 N4 75.11(11) . . ?
O2 Zn2 Cl2 117.47(8) . . ?
O1 Zn2 Cl2 110.35(9) . . ?
N6 Zn2 Cl2 109.99(10) . . ?
N4 Zn2 Cl2 104.13(9) . . ?
O2 Zn2 Zn1 40.60(7) . . ?
O1 Zn2 Zn1 40.03(8) . . ?
N6 Zn2 Zn1 107.81(9) . . ?
N4 Zn2 Zn1 108.13(9) . . ?
Cl2 Zn2 Zn1 135.17(3) . . ?
C1 O1 Zn1 127.0(2) . . ?
C1 O1 Zn2 131.4(2) . . ?
Zn1 O1 Zn2 99.47(11) . . ?
C19 O2 Zn2 128.0(2) . . ?
C19 O2 Zn1 131.2(2) . . ?
Zn2 O2 Zn1 99.22(10) . . ?
C7 N1 N2 120.2(3) . . ?
C7 N1 Zn1 126.6(3) . . ?
N2 N1 Zn1 112.2(2) . . ?
N1 N2 C8 116.0(3) . . ?
N1 N2 C13 122.1(3) . . ?
C8 N2 C13 119.8(3) . . ?
C8 N3 C12 117.6(3) . . ?
C8 N3 Zn1 117.9(2) . . ?
C12 N3 Zn1 124.5(3) . . ?
C25 N4 N5 119.8(3) . . ?
C25 N4 Zn2 127.8(2) . . ?
N5 N4 Zn2 111.1(2) . . ?
N4 N5 C26 114.6(3) . . ?
N4 N5 C31 122.4(3) . . ?
C26 N5 C31 121.9(3) . . ?
C26 N6 C30 117.8(3) . . ?
C26 N6 Zn2 115.1(2) . . ?
C30 N6 Zn2 126.8(3) . . ?
O1 C1 C2 119.8(3) . . ?
O1 C1 C6 121.2(4) . . ?
C2 C1 C6 119.0(3) . . ?
C3 C2 C1 120.7(4) . . ?
C3 C2 H2 119.6 . . ?
C1 C2 H2 119.6 . . ?
C2 C3 C4 120.5(4) . . ?
C2 C3 H3 119.7 . . ?
C4 C3 H3 119.7 . . ?
C5 C4 C3 119.4(4) . . ?
C5 C4 H4 120.3 . . ?
C3 C4 H4 120.3 . . ?
C4 C5 C6 122.0(4) . . ?
C4 C5 H5 119.0 . . ?
C6 C5 H5 119.0 . . ?
C5 C6 C1 118.1(4) . . ?
C5 C6 C7 117.7(3) . . ?
C1 C6 C7 124.0(3) . . ?
N1 C7 C6 123.1(3) . . ?
N1 C7 H7 118.4 . . ?
C6 C7 H7 118.4 . . ?
N3 C8 C9 122.8(3) . . ?
N3 C8 N2 116.1(3) . . ?
C9 C8 N2 121.1(3) . . ?
C10 C9 C8 118.1(3) . . ?
C10 C9 H9 121.0 . . ?
C8 C9 H9 121.0 . . ?
C9 C10 C11 119.9(4) . . ?
C9 C10 H10 120.0 . . ?
C11 C10 H10 120.0 . . ?
C12 C11 C10 118.7(4) . . ?
C12 C11 H11 120.7 . . ?
C10 C11 H11 120.7 . . ?
N3 C12 C11 122.9(3) . . ?
N3 C12 H12 118.5 . . ?
C11 C12 H12 118.5 . . ?
C18 C13 C14 121.3(3) . . ?
C18 C13 N2 119.2(3) . . ?
C14 C13 N2 119.5(3) . . ?
C13 C14 C15 118.7(4) . . ?
C13 C14 H14 120.7 . . ?
C15 C14 H14 120.7 . . ?
C16 C15 C14 120.4(4) . . ?
C16 C15 H15 119.8 . . ?
C14 C15 H15 119.8 . . ?
C15 C16 C17 120.7(3) . . ?
C15 C16 H16 119.7 . . ?
C17 C16 H16 119.7 . . ?
C16 C17 C18 119.3(4) . . ?
C16 C17 H17 120.4 . . ?
C18 C17 H17 120.4 . . ?
C13 C18 C17 119.7(4) . . ?
C13 C18 H18 120.2 . . ?
C17 C18 H18 120.2 . . ?
O2 C19 C20 119.0(3) . . ?
O2 C19 C24 122.3(3) . . ?
C20 C19 C24 118.7(3) . . ?
C21 C20 C19 120.9(4) . . ?
C21 C20 H20 119.5 . . ?
C19 C20 H20 119.5 . . ?
C20 C21 C22 120.5(4) . . ?
C20 C21 H21 119.7 . . ?
C22 C21 H21 119.7 . . ?
C23 C22 C21 119.6(3) . . ?
C23 C22 H22 120.2 . . ?
C21 C22 H22 120.2 . . ?
C22 C23 C24 121.2(4) . . ?
C22 C23 H23 119.4 . . ?
C24 C23 H23 119.4 . . ?
C23 C24 C19 119.1(3) . . ?
C23 C24 C25 116.6(3) . . ?
C19 C24 C25 124.3(3) . . ?
N4 C25 C24 122.4(3) . . ?
N4 C25 H25 118.8 . . ?
C24 C25 H25 118.8 . . ?
N6 C26 N5 116.5(3) . . ?
N6 C26 C27 123.1(3) . . ?
N5 C26 C27 120.3(3) . . ?
C28 C27 C26 117.6(4) . . ?
C28 C27 H27 121.2 . . ?
C26 C27 H27 121.2 . . ?
C27 C28 C29 120.1(3) . . ?
C27 C28 H28 119.9 . . ?
C29 C28 H28 119.9 . . ?
C30 C29 C28 118.4(3) . . ?
C30 C29 H29 120.8 . . ?
C28 C29 H29 120.8 . . ?
N6 C30 C29 123.0(4) . . ?
N6 C30 H30 118.5 . . ?
C29 C30 H30 118.5 . . ?
C36 C31 C32 120.0(4) . . ?
C36 C31 N5 121.3(4) . . ?
C32 C31 N5 118.6(4) . . ?
C33 C32 C31 120.5(4) . . ?
C33 C32 H32 119.8 . . ?
C31 C32 H32 119.8 . . ?
C32 C33 C34 119.6(4) . . ?
C32 C33 H33 120.2 . . ?
C34 C33 H33 120.2 . . ?
C35 C34 C33 119.8(4) . . ?
C35 C34 H34 120.1 . . ?
C33 C34 H34 120.1 . . ?
C34 C35 C36 120.9(4) . . ?
C34 C35 H35 119.5 . . ?
C36 C35 H35 119.5 . . ?
C31 C36 C35 119.2(4) . . ?
C31 C36 H36 120.4 . . ?
C35 C36 H36 120.4 . . ?
Cl3 C37 Cl4 112.0(2) . . ?
Cl3 C37 H37A 109.2 . . ?
Cl4 C37 H37A 109.2 . . ?
Cl3 C37 H37B 109.2 . . ?
Cl4 C37 H37B 109.2 . . ?
H37A C37 H37B 107.9 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Zn1 O1 2.019(3) . ?
Zn1 O2 2.041(3) . ?
Zn1 N3 2.066(3) . ?
Zn1 N1 2.186(3) . ?
Zn1 Cl1 2.2269(10) . ?
Zn1 Zn2 3.0960(10) . ?
Zn2 O2 2.024(3) . ?
Zn2 O1 2.039(3) . ?
Zn2 N6 2.092(3) . ?
Zn2 N4 2.128(3) . ?
Zn2 Cl2 2.2535(12) . ?
Cl3 C37 1.744(5) . ?
Cl4 C37 1.770(5) . ?
O1 C1 1.327(4) . ?
O2 C19 1.331(4) . ?
N1 C7 1.285(5) . ?
N1 N2 1.360(5) . ?
N2 C8 1.390(5) . ?
N2 C13 1.447(4) . ?
N3 C8 1.344(5) . ?
N3 C12 1.350(5) . ?
N4 C25 1.276(4) . ?
N4 N5 1.388(4) . ?
N5 C26 1.389(4) . ?
N5 C31 1.439(5) . ?
N6 C26 1.332(5) . ?
N6 C30 1.352(4) . ?
C1 C2 1.409(6) . ?
C1 C6 1.419(5) . ?
C2 C3 1.365(6) . ?
C2 H2 0.9300 . ?
C3 C4 1.404(6) . ?
C3 H3 0.9300 . ?
C4 C5 1.362(6) . ?
C4 H4 0.9300 . ?
C5 C6 1.406(5) . ?
C5 H5 0.9300 . ?
C6 C7 1.439(6) . ?
C7 H7 0.9300 . ?
C8 C9 1.385(5) . ?
C9 C10 1.371(6) . ?
C9 H9 0.9300 . ?
C10 C11 1.384(5) . ?
C10 H10 0.9300 . ?
C11 C12 1.362(6) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C18 1.377(6) . ?
C13 C14 1.386(5) . ?
C14 C15 1.388(5) . ?
C14 H14 0.9300 . ?
C15 C16 1.377(6) . ?
C15 H15 0.9300 . ?
C16 C17 1.386(6) . ?
C16 H16 0.9300 . ?
C17 C18 1.389(5) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 C20 1.405(5) . ?
C19 C24 1.408(5) . ?
C20 C21 1.377(5) . ?
C20 H20 0.9300 . ?
C21 C22 1.388(6) . ?
C21 H21 0.9300 . ?
C22 C23 1.376(5) . ?
C22 H22 0.9300 . ?
C23 C24 1.407(5) . ?
C23 H23 0.9300 . ?
C24 C25 1.455(5) . ?
C25 H25 0.9300 . ?
C26 C27 1.401(5) . ?
C27 C28 1.372(5) . ?
C27 H27 0.9300 . ?
C28 C29 1.389(6) . ?
C28 H28 0.9300 . ?
C29 C30 1.369(5) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C31 C36 1.377(6) . ?
C31 C32 1.385(6) . ?
C32 C33 1.380(6) . ?
C32 H32 0.9300 . ?
C33 C34 1.381(6) . ?
C33 H33 0.9300 . ?
C34 C35 1.373(6) . ?
C34 H34 0.9300 . ?
C35 C36 1.388(6) . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?
C37 H37A 0.9700 . ?
C37 H37B 0.9700 . ?
