#------------------------------------------------------------------------------
#$Date: 2020-10-06 11:56:38 +0300 (Tue, 06 Oct 2020) $
#$Revision: 257551 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/50/7705074.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_7705074
loop_
_publ_author_name
'Mo, Xiu-Fang'
'Xiong, Chang-Feng'
'Chen, Ze-Wen'
'Liu, Chao'
'He, Piao'
'Tong, Hai-Xia'
'Yi, Xiao-Yi'
_publ_section_title
;
 Zinc complexes supported by pyridine-N-oxide ligands: synthesis,
 structures and catalytic Michael addition reactions.
;
_journal_issue                   35
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12365
_journal_page_last               12371
_journal_paper_doi               10.1039/d0dt00185f
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C56.5 H42 Cl N12 O4 Zn2'
_chemical_formula_weight         1119.21
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2020-06-23 deposited with the CCDC.	2020-08-03 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 92.426(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   31.092(3)
_cell_length_b                   17.2866(16)
_cell_length_c                   9.3852(9)
_cell_measurement_reflns_used    2856
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.56
_cell_measurement_theta_min      1.85
_cell_volume                     5039.8(8)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.967
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0922
_diffrn_reflns_av_unetI/netI     0.1587
_diffrn_reflns_Laue_measured_fraction_full 0.967
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            18752
_diffrn_reflns_point_group_measured_fraction_full 0.967
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_min         2.356
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    1.067
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_correction_T_min  0.6073
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2008/1 - Bruker AXS was used for absorption correction. wR2(int) was 0.0672 before and 0.0527 after correction. The Ratio of minimum to maximum transmission is 0.8148. The  Lambda/2 correction factor is 0.0015.'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.475
_exptl_crystal_description       PLATE
_exptl_crystal_F_000             2296
_exptl_crystal_size_max          0.154
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.805
_refine_diff_density_min         -0.301
_refine_diff_density_rms         0.068
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.893
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     348
_refine_ls_number_reflns         4426
_refine_ls_number_restraints     20
_refine_ls_restrained_S_all      0.925
_refine_ls_R_factor_all          0.2148
_refine_ls_R_factor_gt           0.0703
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[σ²(Fo²)+(0.0894P)²]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1489
_refine_ls_wR_factor_ref         0.1806
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1755
_reflns_number_total             4426
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt00185f2.cif
_cod_data_source_block           Zn(L1)2
_cod_depositor_comments
'Adding full bibliography for 7705072--7705075.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C56.50 H42 Cl N12 O4 Zn2'
_cod_database_code               7705074
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelxl_version_number           2013-2
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn -0.35681(3) -0.20168(4) -0.70479(8) 0.0639(4) Uani 1 1 d . . . . .
O1 O -0.32511(19) -0.2006(3) -0.9007(5) 0.113(2) Uani 1 1 d . . . . .
O2 O -0.29690(14) -0.1717(3) -0.6043(5) 0.0904(16) Uani 1 1 d . . . . .
N1 N -0.31937(18) -0.2531(4) -0.9965(7) 0.0740(16) Uani 1 1 d . . . . .
N2 N -0.35890(16) -0.3149(3) -0.7394(6) 0.0610(15) Uani 1 1 d . . . . .
N3 N -0.38380(17) -0.2480(3) -0.5034(5) 0.0686(16) Uani 1 1 d . . . . .
N4 N -0.42450(19) -0.1860(4) -0.8286(6) 0.0719(16) Uani 1 1 d . . . . .
N5 N -0.37228(19) -0.0932(3) -0.6778(5) 0.0585(14) Uani 1 1 d . . . . .
N6 N -0.2891(2) -0.1139(4) -0.5178(6) 0.0654(15) Uani 1 1 d . . . . .
C29 C -0.3003(3) -0.2278(5) -1.1139(9) 0.101(3) Uani 1 1 d . . . . .
H29 H -0.2910 -0.1768 -1.1176 0.122 Uiso 1 1 calc R U . . .
C2 C -0.2942(3) -0.2748(6) -1.2268(11) 0.142(4) Uani 1 1 d . . . . .
H2 H -0.2814 -0.2567 -1.3080 0.171 Uiso 1 1 calc R U . . .
C30 C -0.3078(4) -0.3509(6) -1.2169(11) 0.144(4) Uani 1 1 d . . . . .
H30 H -0.3052 -0.3845 -1.2934 0.173 Uiso 1 1 calc R U . . .
C4 C -0.3249(3) -0.3756(4) -1.0961(9) 0.111(3) Uani 1 1 d . . . . .
H4 H -0.3328 -0.4274 -1.0899 0.133 Uiso 1 1 calc R U . . .
C5 C -0.3314(2) -0.3288(4) -0.9816(8) 0.070(2) Uani 1 1 d . . . . .
C6 C -0.3526(2) -0.3570(4) -0.8580(8) 0.0647(19) Uani 1 1 d . . . . .
C7 C -0.3683(2) -0.4318(4) -0.8364(8) 0.080(2) Uani 1 1 d . . . . .
H7 H -0.3671 -0.4729 -0.9000 0.096 Uiso 1 1 calc R U . . .
C8 C -0.3859(2) -0.4337(4) -0.7047(8) 0.081(2) Uani 1 1 d . . . . .
H8 H -0.3995 -0.4754 -0.6632 0.097 Uiso 1 1 calc R U . . .
C9 C -0.3791(2) -0.3602(4) -0.6457(8) 0.0672(19) Uani 1 1 d . . . . .
C10 C -0.3921(2) -0.3242(4) -0.5133(8) 0.071(2) Uani 1 1 d . . . . .
C11 C -0.4126(3) -0.3633(5) -0.4054(9) 0.094(3) Uani 1 1 d . . . . .
H11 H -0.4193 -0.4155 -0.4154 0.113 Uiso 1 1 calc R U . . .
C12 C -0.4228(3) -0.3241(6) -0.2844(9) 0.110(3) Uani 1 1 d . . . . .
H12 H -0.4367 -0.3493 -0.2119 0.132 Uiso 1 1 calc R U . . .
C13 C -0.4122(3) -0.2473(6) -0.2716(8) 0.102(3) Uani 1 1 d . . . . .
H13 H -0.4175 -0.2201 -0.1887 0.122 Uiso 1 1 calc R U . . .
C14 C -0.3939(3) -0.2121(4) -0.3832(9) 0.084(2) Uani 1 1 d . . . . .
H14 H -0.3879 -0.1596 -0.3754 0.101 Uiso 1 1 calc R U . . .
C15 C -0.4501(3) -0.2364(5) -0.8989(8) 0.086(2) Uani 1 1 d . . . . .
H15 H -0.4417 -0.2880 -0.9011 0.103 Uiso 1 1 calc R U . . .
C16 C -0.4879(3) -0.2155(6) -0.9677(9) 0.100(3) Uani 1 1 d . U . . .
H16 H -0.5057 -0.2531 -1.0131 0.120 Uiso 1 1 d R U . . .
C17 C -0.4993(3) -0.1387(6) -0.9674(9) 0.102(3) Uani 1 1 d . U . . .
H17 H -0.5246 -0.1227 -1.0155 0.122 Uiso 1 1 calc R U . . .
C18 C -0.4740(3) -0.0863(5) -0.8972(8) 0.090(2) Uani 1 1 d . . . . .
H18 H -0.4817 -0.0343 -0.8967 0.109 Uiso 1 1 calc R U . . .
C19 C -0.4361(3) -0.1108(5) -0.8253(7) 0.0656(19) Uani 1 1 d . . . . .
C20 C -0.4083(3) -0.0617(5) -0.7401(7) 0.0653(19) Uani 1 1 d . . . . .
C21 C -0.4112(3) 0.0152(5) -0.6991(9) 0.088(2) Uani 1 1 d . . . . .
H21 H -0.4327 0.0498 -0.7287 0.106 Uiso 1 1 calc R U . . .
C22 C -0.3769(3) 0.0311(4) -0.6074(9) 0.083(2) Uani 1 1 d . . . . .
H22 H -0.3708 0.0777 -0.5615 0.099 Uiso 1 1 calc R U . . .
C23 C -0.3527(3) -0.0374(4) -0.5968(7) 0.0616(18) Uani 1 1 d . . . . .
C24 C -0.3144(3) -0.0496(4) -0.5099(7) 0.0585(18) Uani 1 1 d . . . . .
C25 C -0.3006(3) 0.0059(5) -0.4097(9) 0.088(2) Uani 1 1 d . . . . .
H25 H -0.3172 0.0503 -0.4002 0.105 Uiso 1 1 calc R U . . .
C26 C -0.2651(4) -0.0016(6) -0.3277(10) 0.111(3) Uani 1 1 d . . . . .
H26 H -0.2576 0.0367 -0.2617 0.133 Uiso 1 1 calc R U . . .
C27 C -0.2397(3) -0.0653(7) -0.3395(9) 0.109(3) Uani 1 1 d . . . . .
H27 H -0.2140 -0.0703 -0.2861 0.131 Uiso 1 1 calc R U . . .
C28 C -0.2535(3) -0.1218(4) -0.4334(9) 0.080(2) Uani 1 1 d . . . . .
H28 H -0.2376 -0.1672 -0.4387 0.096 Uiso 1 1 calc R U . . .
Cl31 Cl -0.4938(3) -0.4573(6) -0.9087(10) 0.317(5) Uani 0.5 1 d D U P . .
C1 C -0.5000 -0.4912(11) -0.7500 0.086(6) Uani 0.5 2 d DS TU P . .
H1A H -0.4754 -0.5254 -0.7360 0.103 Uiso 0.5 1 calc R U P . .
H1B H -0.5246 -0.5254 -0.7640 0.103 Uiso 0.5 1 calc R U P . .
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'
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'
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
N5 Zn1 N2 163.9(2) . . ?
N5 Zn1 O2 85.7(2) . . ?
N2 Zn1 O2 109.66(19) . . ?
N5 Zn1 O1 103.30(19) . . ?
N2 Zn1 O1 83.1(2) . . ?
O2 Zn1 O1 87.2(2) . . ?
N5 Zn1 N3 97.5(2) . . ?
N2 Zn1 N3 77.0(2) . . ?
O2 Zn1 N3 93.7(2) . . ?
O1 Zn1 N3 159.2(2) . . ?
N5 Zn1 N4 74.7(2) . . ?
N2 Zn1 N4 90.6(2) . . ?
O2 Zn1 N4 159.2(2) . . ?
O1 Zn1 N4 90.6(2) . . ?
N3 Zn1 N4 95.58(18) . . ?
N1 O1 Zn1 132.7(4) . . ?
N6 O2 Zn1 127.0(4) . . ?
O1 N1 C29 114.8(7) . . ?
O1 N1 C5 123.5(6) . . ?
C29 N1 C5 121.7(7) . . ?
C6 N2 C9 108.2(6) . . ?
C6 N2 Zn1 131.3(5) . . ?
C9 N2 Zn1 118.5(5) . . ?
C14 N3 C10 117.5(6) . . ?
C14 N3 Zn1 130.8(5) . . ?
C10 N3 Zn1 111.6(5) . . ?
C15 N4 C19 119.1(7) . . ?
C15 N4 Zn1 131.6(5) . . ?
C19 N4 Zn1 109.3(5) . . ?
C20 N5 C23 107.4(6) . . ?
C20 N5 Zn1 122.2(5) . . ?
C23 N5 Zn1 130.4(5) . . ?
O2 N6 C28 114.7(7) . . ?
O2 N6 C24 124.4(6) . . ?
C28 N6 C24 120.9(6) . . ?
N1 C29 C2 121.7(8) . . ?
N1 C29 H29 119.1 . . ?
C2 C29 H29 119.1 . . ?
C29 C2 C30 117.7(9) . . ?
C29 C2 H2 121.2 . . ?
C30 C2 H2 121.2 . . ?
C4 C30 C2 119.4(9) . . ?
C4 C30 H30 120.3 . . ?
C2 C30 H30 120.3 . . ?
C30 C4 C5 123.5(8) . . ?
C30 C4 H4 118.2 . . ?
C5 C4 H4 118.2 . . ?
C4 C5 N1 115.8(7) . . ?
C4 C5 C6 121.3(8) . . ?
N1 C5 C6 122.8(6) . . ?
N2 C6 C7 108.3(6) . . ?
N2 C6 C5 124.6(7) . . ?
C7 C6 C5 127.1(7) . . ?
C8 C7 C6 107.9(6) . . ?
C8 C7 H7 126.1 . . ?
C6 C7 H7 126.1 . . ?
C7 C8 C9 106.1(6) . . ?
C7 C8 H8 127.0 . . ?
C9 C8 H8 127.0 . . ?
N2 C9 C8 109.5(6) . . ?
N2 C9 C10 117.4(7) . . ?
C8 C9 C10 133.0(8) . . ?
N3 C10 C11 121.1(7) . . ?
N3 C10 C9 114.6(7) . . ?
C11 C10 C9 124.2(8) . . ?
C12 C11 C10 119.4(8) . . ?
C12 C11 H11 120.3 . . ?
C10 C11 H11 120.3 . . ?
C13 C12 C11 119.2(8) . . ?
C13 C12 H12 120.4 . . ?
C11 C12 H12 120.4 . . ?
C14 C13 C12 118.2(8) . . ?
C14 C13 H13 120.9 . . ?
C12 C13 H13 120.9 . . ?
N3 C14 C13 124.4(8) . . ?
N3 C14 H14 117.8 . . ?
C13 C14 H14 117.8 . . ?
N4 C15 C16 123.0(8) . . ?
N4 C15 H15 118.5 . . ?
C16 C15 H15 118.5 . . ?
C15 C16 C17 118.2(8) . . ?
C15 C16 H16 120.5 . . ?
C17 C16 H16 121.2 . . ?
C18 C17 C16 120.1(9) . . ?
C18 C17 H17 120.0 . . ?
C16 C17 H17 120.0 . . ?
C17 C18 C19 119.6(8) . . ?
C17 C18 H18 120.2 . . ?
C19 C18 H18 120.2 . . ?
N4 C19 C18 120.0(7) . . ?
N4 C19 C20 115.4(7) . . ?
C18 C19 C20 124.5(8) . . ?
N5 C20 C21 109.2(7) . . ?
N5 C20 C19 118.1(7) . . ?
C21 C20 C19 132.7(8) . . ?
C22 C21 C20 107.9(7) . . ?
C22 C21 H21 126.1 . . ?
C20 C21 H21 126.1 . . ?
C21 C22 C23 106.1(7) . . ?
C21 C22 H22 127.0 . . ?
C23 C22 H22 127.0 . . ?
N5 C23 C22 109.5(7) . . ?
N5 C23 C24 123.8(7) . . ?
C22 C23 C24 126.6(8) . . ?
N6 C24 C25 115.8(7) . . ?
N6 C24 C23 123.9(6) . . ?
C25 C24 C23 120.3(7) . . ?
C26 C25 C24 123.1(8) . . ?
C26 C25 H25 118.4 . . ?
C24 C25 H25 118.4 . . ?
C25 C26 C27 120.3(9) . . ?
C25 C26 H26 119.9 . . ?
C27 C26 H26 119.9 . . ?
C26 C27 C28 117.4(8) . . ?
C26 C27 H27 121.3 . . ?
C28 C27 H27 121.3 . . ?
N6 C28 C27 122.4(8) . . ?
N6 C28 H28 118.8 . . ?
C27 C28 H28 118.8 . . ?
C1 Cl31 Cl31 115.6(8) . 5_443 ?
Cl31 C1 Cl31 137.5(16) . 2_453 ?
Cl31 C1 H1A 102.7 . . ?
Cl31 C1 H1A 102.7 2_453 . ?
Cl31 C1 H1B 102.7 . . ?
Cl31 C1 H1B 102.7 2_453 . ?
H1A C1 H1B 105.0 . . ?
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 N5 1.955(5) . ?
Zn1 N2 1.985(5) . ?
Zn1 O2 2.116(5) . ?
Zn1 O1 2.122(5) . ?
Zn1 N3 2.248(5) . ?
Zn1 N4 2.376(6) . ?
O1 N1 1.295(6) . ?
O2 N6 1.303(6) . ?
N1 C29 1.347(8) . ?
N1 C5 1.369(8) . ?
N2 C6 1.351(7) . ?
N2 C9 1.352(7) . ?
N3 C14 1.335(8) . ?
N3 C10 1.345(8) . ?
N4 C15 1.334(8) . ?
N4 C19 1.350(7) . ?
N5 C20 1.355(8) . ?
N5 C23 1.357(7) . ?
N6 C28 1.340(8) . ?
N6 C24 1.365(8) . ?
C29 C2 1.354(10) . ?
C29 H29 0.9300 . ?
C2 C30 1.385(12) . ?
C2 H2 0.9300 . ?
C30 C4 1.343(11) . ?
C30 H30 0.9300 . ?
C4 C5 1.367(9) . ?
C4 H4 0.9300 . ?
C5 C6 1.442(9) . ?
C6 C7 1.401(9) . ?
C7 C8 1.372(8) . ?
C7 H7 0.9300 . ?
C8 C9 1.399(9) . ?
C8 H8 0.9300 . ?
C9 C10 1.461(9) . ?
C10 C11 1.393(9) . ?
C11 C12 1.371(10) . ?
C11 H11 0.9300 . ?
C12 C13 1.371(10) . ?
C12 H12 0.9300 . ?
C13 C14 1.358(9) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
C15 C16 1.365(10) . ?
C15 H15 0.9300 . ?
C16 C17 1.375(10) . ?
C16 H16 0.9440 . ?
C17 C18 1.354(9) . ?
C17 H17 0.9300 . ?
C18 C19 1.399(9) . ?
C18 H18 0.9300 . ?
C19 C20 1.431(9) . ?
C20 C21 1.387(9) . ?
C21 C22 1.370(9) . ?
C21 H21 0.9300 . ?
C22 C23 1.403(8) . ?
C22 H22 0.9300 . ?
C23 C24 1.431(9) . ?
C24 C25 1.399(9) . ?
C25 C26 1.325(10) . ?
C25 H25 0.9300 . ?
C26 C27 1.362(11) . ?
C26 H26 0.9300 . ?
C27 C28 1.372(10) . ?
C27 H27 0.9300 . ?
C28 H28 0.9300 . ?
Cl31 C1 1.620(8) . ?
Cl31 Cl31 2.28(2) 5_443 ?
C1 Cl31 1.620(8) 2_453 ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
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
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Zn1 O1 N1 C29 174.6(5) . . . . ?
Zn1 O1 N1 C5 -5.6(10) . . . . ?
Zn1 O2 N6 C28 158.8(5) . . . . ?
Zn1 O2 N6 C24 -20.9(9) . . . . ?
O1 N1 C29 C2 -176.3(8) . . . . ?
C5 N1 C29 C2 3.9(12) . . . . ?
N1 C29 C2 C30 -1.0(15) . . . . ?
C29 C2 C30 C4 -2.1(16) . . . . ?
C2 C30 C4 C5 2.6(16) . . . . ?
C30 C4 C5 N1 0.1(13) . . . . ?
C30 C4 C5 C6 175.8(9) . . . . ?
O1 N1 C5 C4 176.8(7) . . . . ?
C29 N1 C5 C4 -3.4(10) . . . . ?
O1 N1 C5 C6 1.2(10) . . . . ?
C29 N1 C5 C6 -179.0(7) . . . . ?
C9 N2 C6 C7 -1.6(8) . . . . ?
Zn1 N2 C6 C7 -165.1(4) . . . . ?
C9 N2 C6 C5 -179.3(6) . . . . ?
Zn1 N2 C6 C5 17.2(10) . . . . ?
C4 C5 C6 N2 177.9(7) . . . . ?
N1 C5 C6 N2 -6.8(11) . . . . ?
C4 C5 C6 C7 0.6(12) . . . . ?
N1 C5 C6 C7 176.0(7) . . . . ?
N2 C6 C7 C8 2.3(8) . . . . ?
C5 C6 C7 C8 179.9(7) . . . . ?
C6 C7 C8 C9 -2.0(8) . . . . ?
C6 N2 C9 C8 0.4(8) . . . . ?
Zn1 N2 C9 C8 166.3(4) . . . . ?
C6 N2 C9 C10 -175.5(6) . . . . ?
Zn1 N2 C9 C10 -9.5(8) . . . . ?
C7 C8 C9 N2 1.0(8) . . . . ?
C7 C8 C9 C10 176.0(7) . . . . ?
C14 N3 C10 C11 3.5(10) . . . . ?
Zn1 N3 C10 C11 -174.2(6) . . . . ?
C14 N3 C10 C9 -178.3(6) . . . . ?
Zn1 N3 C10 C9 4.1(7) . . . . ?
N2 C9 C10 N3 2.8(9) . . . . ?
C8 C9 C10 N3 -171.9(7) . . . . ?
N2 C9 C10 C11 -179.0(6) . . . . ?
C8 C9 C10 C11 6.3(13) . . . . ?
N3 C10 C11 C12 -2.8(12) . . . . ?
C9 C10 C11 C12 179.1(7) . . . . ?
C10 C11 C12 C13 -0.6(13) . . . . ?
C11 C12 C13 C14 3.2(13) . . . . ?
C10 N3 C14 C13 -0.7(11) . . . . ?
Zn1 N3 C14 C13 176.4(5) . . . . ?
C12 C13 C14 N3 -2.7(13) . . . . ?
C19 N4 C15 C16 -0.5(10) . . . . ?
Zn1 N4 C15 C16 -178.1(5) . . . . ?
N4 C15 C16 C17 1.9(12) . . . . ?
C15 C16 C17 C18 -1.6(12) . . . . ?
C16 C17 C18 C19 0.1(12) . . . . ?
C15 N4 C19 C18 -1.1(9) . . . . ?
Zn1 N4 C19 C18 177.0(5) . . . . ?
C15 N4 C19 C20 176.2(6) . . . . ?
Zn1 N4 C19 C20 -5.7(6) . . . . ?
C17 C18 C19 N4 1.3(10) . . . . ?
C17 C18 C19 C20 -175.7(7) . . . . ?
C23 N5 C20 C21 0.6(7) . . . . ?
Zn1 N5 C20 C21 178.7(4) . . . . ?
C23 N5 C20 C19 -176.5(5) . . . . ?
Zn1 N5 C20 C19 1.6(8) . . . . ?
N4 C19 C20 N5 3.6(9) . . . . ?
C18 C19 C20 N5 -179.3(6) . . . . ?
N4 C19 C20 C21 -172.7(7) . . . . ?
C18 C19 C20 C21 4.4(12) . . . . ?
N5 C20 C21 C22 -1.3(8) . . . . ?
C19 C20 C21 C22 175.3(7) . . . . ?
C20 C21 C22 C23 1.4(8) . . . . ?
C20 N5 C23 C22 0.2(7) . . . . ?
Zn1 N5 C23 C22 -177.6(4) . . . . ?
C20 N5 C23 C24 177.6(6) . . . . ?
Zn1 N5 C23 C24 -0.3(9) . . . . ?
C21 C22 C23 N5 -1.0(8) . . . . ?
C21 C22 C23 C24 -178.2(6) . . . . ?
O2 N6 C24 C25 179.7(6) . . . . ?
C28 N6 C24 C25 0.1(9) . . . . ?
O2 N6 C24 C23 -0.4(10) . . . . ?
C28 N6 C24 C23 179.9(6) . . . . ?
N5 C23 C24 N6 12.1(10) . . . . ?
C22 C23 C24 N6 -171.0(6) . . . . ?
N5 C23 C24 C25 -168.0(6) . . . . ?
C22 C23 C24 C25 8.8(10) . . . . ?
N6 C24 C25 C26 0.8(11) . . . . ?
C23 C24 C25 C26 -179.1(7) . . . . ?
C24 C25 C26 C27 0.9(13) . . . . ?
C25 C26 C27 C28 -3.2(13) . . . . ?
O2 N6 C28 C27 177.7(7) . . . . ?
C24 N6 C28 C27 -2.6(10) . . . . ?
C26 C27 C28 N6 4.1(12) . . . . ?
Cl31 Cl31 C1 Cl31 -163.0(8) 5_443 . . 2_453 ?
