#------------------------------------------------------------------------------
#$Date: 2021-04-01 11:47:05 +0300 (Thu, 01 Apr 2021) $
#$Revision: 263524 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/14/1561415.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_1561415
loop_
_publ_author_name
'Hu, Dong-Cheng'
'Fan, Yan'
'Si, Chang-Dai'
'Wu, Ya-Jun'
'Dong, Xiu-Yan'
'Yang, Yun-Xia'
'Yao, Xiao-Qiang'
'Liu, Jia-Cheng'
_publ_section_title
;
 A series of Zn/Cd coordination polymers constructed from
 1,4-naphthalenedicarboxylate and N-donor ligands: Syntheses, structures
 and luminescence sensing of Cr3+ in aqueous solutions
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              198
_journal_page_last               204
_journal_paper_doi               10.1016/j.jssc.2016.06.017
_journal_volume                  241
_journal_year                    2016
_chemical_formula_sum            'C58 H48 N4 O20 Zn2'
_chemical_formula_weight         1251.74
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 95.272(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.076(8)
_cell_length_b                   11.329(5)
_cell_length_c                   23.937(10)
_cell_measurement_reflns_used    3377
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.32
_cell_measurement_theta_min      2.20
_cell_volume                     5421(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_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      296(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  '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  0.0702
_diffrn_reflns_av_sigmaI/netI    0.0800
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            13923
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.04
_exptl_absorpt_coefficient_mu    0.970
_exptl_absorpt_correction_T_max  0.8149
_exptl_absorpt_correction_T_min  0.7729
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.534
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2576
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.903
_refine_diff_density_min         -0.590
_refine_diff_density_rms         0.123
_refine_ls_extinction_coef       0.0034(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     385
_refine_ls_number_reflns         4777
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0958
_refine_ls_R_factor_gt           0.0596
_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)+(0.1045P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1561
_refine_ls_wR_factor_ref         0.1792
_reflns_number_gt                3228
_reflns_number_total             4777
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2016-241-198.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 8369 2020-08-20 11:38:08Z andrius 
;
_cod_original_sg_symbol_H-M      'C2/c  '
_cod_database_code               1561415
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.2208(3) 0.1605(5) 0.3290(3) 0.0499(15) Uani 1 1 d . . .
C2 C 0.2895(3) 0.1512(4) 0.3578(2) 0.0395(13) Uani 1 1 d . . .
C3 C 0.2988(3) 0.0496(5) 0.3905(3) 0.0528(16) Uani 1 1 d . . .
H3 H 0.2638 -0.0041 0.3908 0.063 Uiso 1 1 calc R . .
C4 C 0.3585(3) 0.0256(5) 0.4224(3) 0.0489(15) Uani 1 1 d . . .
H4 H 0.3637 -0.0434 0.4434 0.059 Uiso 1 1 calc R . .
C5 C 0.4104(3) 0.1069(4) 0.4224(2) 0.0391(13) Uani 1 1 d . . .
C6 C 0.4037(3) 0.2068(4) 0.3897(2) 0.0372(13) Uani 1 1 d . . .
H6A H 0.4397 0.2584 0.3893 0.045 Uiso 1 1 calc R . .
C7 C 0.3438(2) 0.2326(4) 0.3571(2) 0.0323(11) Uani 1 1 d . . .
C8 C 0.3433(3) 0.3476(4) 0.3251(2) 0.0367(12) Uani 1 1 d . . .
C9 C 0.5275(3) 0.0777(4) 0.4334(2) 0.0357(12) Uani 1 1 d . . .
C10 C 0.5364(3) -0.0202(5) 0.3985(2) 0.0480(15) Uani 1 1 d . . .
H10A H 0.5030 -0.0768 0.3926 0.058 Uiso 1 1 calc R . .
C11 C 0.5944(4) -0.0312(5) 0.3736(3) 0.0569(18) Uani 1 1 d . . .
H11 H 0.6002 -0.0953 0.3502 0.068 Uiso 1 1 calc R . .
C12 C 0.6461(3) 0.0540(5) 0.3828(2) 0.0487(15) Uani 1 1 d . . .
C13 C 0.7057(4) 0.0480(7) 0.3557(3) 0.073(2) Uani 1 1 d . . .
H13 H 0.7109 -0.0126 0.3302 0.088 Uiso 1 1 calc R . .
C14 C 0.7549(4) 0.1273(8) 0.3657(4) 0.079(2) Uani 1 1 d . . .
H14 H 0.7933 0.1209 0.3470 0.095 Uiso 1 1 calc R . .
C15 C 0.7495(4) 0.2205(7) 0.4043(4) 0.081(2) Uani 1 1 d . . .
H15 H 0.7844 0.2740 0.4116 0.097 Uiso 1 1 calc R . .
C16 C 0.6913(3) 0.2311(6) 0.4312(3) 0.0580(17) Uani 1 1 d . . .
H16 H 0.6872 0.2927 0.4563 0.070 Uiso 1 1 calc R . .
C17 C 0.6382(3) 0.1499(5) 0.4209(2) 0.0421(13) Uani 1 1 d . . .
C18 C 0.5766(3) 0.1610(4) 0.4459(2) 0.0357(12) Uani 1 1 d . . .
C19 C 0.5639(2) 0.2607(4) 0.4848(2) 0.0334(12) Uani 1 1 d . . .
C20 C 0.6549(3) 0.5413(5) 0.5144(3) 0.0433(14) Uani 1 1 d . . .
H20 H 0.6547 0.4642 0.5278 0.052 Uiso 1 1 calc R . .
C21 C 0.7151(3) 0.5995(5) 0.5175(3) 0.0434(14) Uani 1 1 d . . .
H21 H 0.7539 0.5619 0.5325 0.052 Uiso 1 1 calc R . .
C22 C 0.7179(3) 0.7157(4) 0.4981(2) 0.0344(12) Uani 1 1 d . . .
C23 C 0.6580(3) 0.7631(4) 0.4749(2) 0.0360(12) Uani 1 1 d . . .
H23 H 0.6571 0.8391 0.4601 0.043 Uiso 1 1 calc R . .
C24 C 0.5994(3) 0.6979(5) 0.4736(2) 0.0392(13) Uani 1 1 d . . .
H24 H 0.5599 0.7327 0.4582 0.047 Uiso 1 1 calc R . .
C25 C 0.5000 0.2039(6) 0.2500 0.0408(19) Uani 1 2 d S . .
C26 C 0.5514(3) 0.2673(4) 0.2789(3) 0.0473(15) Uani 1 1 d . . .
H26 H 0.5865 0.2278 0.2989 0.057 Uiso 1 1 calc R . .
C27 C 0.5501(3) 0.3890(4) 0.2777(3) 0.0439(14) Uani 1 1 d . . .
H27 H 0.5852 0.4305 0.2968 0.053 Uiso 1 1 calc R . .
C28 C 0.4486(3) 0.8888(4) 0.2679(2) 0.0433(14) Uani 1 1 d . . .
H28 H 0.4132 0.8473 0.2809 0.052 Uiso 1 1 calc R . .
C29 C 0.4461(3) 1.0112(4) 0.2677(3) 0.0456(15) Uani 1 1 d . . .
H29 H 0.4091 1.0507 0.2792 0.055 Uiso 1 1 calc R . .
C30 C 0.5000 1.0740(6) 0.2500 0.0419(19) Uani 1 2 d S . .
N1 N 0.5000 0.4496(5) 0.2500 0.0375(15) Uani 1 2 d S . .
N2 N 0.5000 0.8276(5) 0.2500 0.0378(15) Uani 1 2 d S . .
N3 N 0.5966(2) 0.5871(3) 0.49352(17) 0.0337(10) Uani 1 1 d . . .
O1 O 0.53322(18) 0.3486(3) 0.46287(15) 0.0387(9) Uani 1 1 d . . .
O2 O 0.5867(2) 0.2533(3) 0.53556(17) 0.0503(10) Uani 1 1 d . . .
O3 O 0.46777(18) 0.0872(3) 0.45865(15) 0.0433(9) Uani 1 1 d . . .
O4 O 0.3016(2) 0.3613(3) 0.28139(17) 0.0514(11) Uani 1 1 d . . .
O5 O 0.3854(2) 0.4242(3) 0.33994(16) 0.0451(10) Uani 1 1 d . . .
O6 O 0.2110(2) 0.2262(4) 0.2849(2) 0.0657(13) Uani 1 1 d . . .
H6 H 0.1728 0.2162 0.2704 0.099 Uiso 1 1 calc R . .
O7 O 0.1743(2) 0.1038(4) 0.3471(2) 0.0732(14) Uani 1 1 d . . .
O8 O 0.46502(17) 0.5639(3) 0.41675(14) 0.0358(8) Uani 1 1 d . . .
H8A H 0.4251 0.5404 0.4084 0.054 Uiso 1 1 d R . .
H8B H 0.4660 0.6389 0.4165 0.054 Uiso 1 1 d R . .
O9 O 0.40194(17) 0.6308(3) 0.27963(15) 0.0353(8) Uani 1 1 d . . .
H9A H 0.4063 0.6252 0.3198 0.053 Uiso 1 1 d R . .
H9B H 0.3788 0.5626 0.2640 0.053 Uiso 1 1 d R . .
O10 O 0.54259(18) 0.6497(3) 0.33381(15) 0.0414(9) Uani 1 1 d . . .
H10B H 0.5849 0.6544 0.3342 0.062 Uiso 1 1 d R . .
H10D H 0.5323 0.5882 0.3514 0.062 Uiso 1 1 d R . .
Zn1 Zn 0.5000 0.63918(6) 0.2500 0.0308(3) Uani 1 2 d S . .
Zn2 Zn 0.5000 0.5000 0.5000 0.0305(3) Uani 1 2 d S . .
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'
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
O7 C1 O6 121.3(6) . .
O7 C1 C2 119.8(6) . .
O6 C1 C2 118.9(5) . .
C3 C2 C7 118.5(5) . .
C3 C2 C1 112.9(5) . .
C7 C2 C1 128.6(5) . .
C4 C3 C2 122.4(5) . .
C4 C3 H3 118.8 . .
C2 C3 H3 118.8 . .
C3 C4 C5 118.6(5) . .
C3 C4 H4 120.7 . .
C5 C4 H4 120.7 . .
C6 C5 C4 120.8(5) . .
C6 C5 O3 121.1(5) . .
C4 C5 O3 118.0(5) . .
C5 C6 C7 121.4(5) . .
C5 C6 H6A 119.3 . .
C7 C6 H6A 119.3 . .
C6 C7 C2 118.3(5) . .
C6 C7 C8 115.3(5) . .
C2 C7 C8 126.4(5) . .
O5 C8 O4 121.6(5) . .
O5 C8 C7 119.0(5) . .
O4 C8 C7 119.3(5) . .
C18 C9 O3 118.6(4) . .
C18 C9 C10 122.7(5) . .
O3 C9 C10 118.6(5) . .
C11 C10 C9 119.5(6) . .
C11 C10 H10A 120.3 . .
C9 C10 H10A 120.3 . .
C10 C11 C12 120.8(5) . .
C10 C11 H11 119.6 . .
C12 C11 H11 119.6 . .
C13 C12 C11 122.2(6) . .
C13 C12 C17 118.4(7) . .
C11 C12 C17 119.5(6) . .
C14 C13 C12 121.7(7) . .
C14 C13 H13 119.2 . .
C12 C13 H13 119.2 . .
C13 C14 C15 121.3(7) . .
C13 C14 H14 119.4 . .
C15 C14 H14 119.4 . .
C16 C15 C14 119.0(8) . .
C16 C15 H15 120.5 . .
C14 C15 H15 120.5 . .
C15 C16 C17 121.1(7) . .
C15 C16 H16 119.5 . .
C17 C16 H16 119.5 . .
C16 C17 C18 122.5(5) . .
C16 C17 C12 118.6(5) . .
C18 C17 C12 118.9(5) . .
C9 C18 C17 118.6(5) . .
C9 C18 C19 119.4(5) . .
C17 C18 C19 121.9(5) . .
O1 C19 O2 125.0(5) . .
O1 C19 C18 116.2(5) . .
O2 C19 C18 118.7(4) . .
N3 C20 C21 124.8(5) . .
N3 C20 H20 117.6 . .
C21 C20 H20 117.6 . .
C20 C21 C22 119.7(5) . .
C20 C21 H21 120.2 . .
C22 C21 H21 120.2 . .
C23 C22 C21 116.0(5) . .
C23 C22 C22 122.2(5) . 7_666
C21 C22 C22 121.8(6) . 7_666
C22 C23 C24 120.4(5) . .
C22 C23 H23 119.8 . .
C24 C23 H23 119.8 . .
N3 C24 C23 123.5(5) . .
N3 C24 H24 118.3 . .
C23 C24 H24 118.3 . .
C26 C25 C26 117.7(7) . 2_655
C26 C25 C30 121.1(3) . 1_545
C26 C25 C30 121.1(3) 2_655 1_545
C27 C26 C25 119.7(6) . .
C27 C26 H26 120.1 . .
C25 C26 H26 120.1 . .
N1 C27 C26 122.2(5) . .
N1 C27 H27 118.9 . .
C26 C27 H27 118.9 . .
N2 C28 C29 122.9(6) . .
N2 C28 H28 118.5 . .
C29 C28 H28 118.5 . .
C28 C29 C30 118.8(6) . .
C28 C29 H29 120.6 . .
C30 C29 H29 120.6 . .
C29 C30 C29 118.6(7) . 2_655
C29 C30 C25 120.7(3) . 1_565
C29 C30 C25 120.7(3) 2_655 1_565
C27 N1 C27 118.5(6) . 2_655
C27 N1 Zn1 120.8(3) . .
C27 N1 Zn1 120.8(3) 2_655 .
C28 N2 C28 117.9(6) 2_655 .
C28 N2 Zn1 121.0(3) 2_655 .
C28 N2 Zn1 121.0(3) . .
C20 N3 C24 115.6(4) . .
C20 N3 Zn2 123.3(3) . .
C24 N3 Zn2 120.7(3) . .
C19 O1 Zn2 129.9(3) . .
C5 O3 C9 115.9(4) . .
C1 O6 H6 109.5 . .
Zn2 O8 H8A 109.2 . .
Zn2 O8 H8B 109.4 . .
H8A O8 H8B 109.5 . .
Zn1 O9 H9A 109.3 . .
Zn1 O9 H9B 109.4 . .
H9A O9 H9B 109.5 . .
Zn1 O10 H10B 109.3 . .
Zn1 O10 H10D 109.3 . .
H10B O10 H10D 109.5 . .
O10 Zn1 O10 173.52(19) . 2_655
O10 Zn1 N2 86.76(9) . .
O10 Zn1 N2 86.76(9) 2_655 .
O10 Zn1 N1 93.24(9) . .
O10 Zn1 N1 93.24(9) 2_655 .
N2 Zn1 N1 180.000(1) . .
O10 Zn1 O9 89.55(14) . .
O10 Zn1 O9 90.73(14) 2_655 .
N2 Zn1 O9 92.52(8) . .
N1 Zn1 O9 87.48(8) . .
O10 Zn1 O9 90.73(14) . 2_655
O10 Zn1 O9 89.55(14) 2_655 2_655
N2 Zn1 O9 92.53(8) . 2_655
N1 Zn1 O9 87.47(8) . 2_655
O9 Zn1 O9 174.95(17) . 2_655
O1 Zn2 O1 180.00(18) 5_666 .
O1 Zn2 O8 91.61(13) 5_666 .
O1 Zn2 O8 88.39(13) . .
O1 Zn2 O8 88.39(13) 5_666 5_666
O1 Zn2 O8 91.61(13) . 5_666
O8 Zn2 O8 180.00(8) . 5_666
O1 Zn2 N3 88.82(15) 5_666 .
O1 Zn2 N3 91.18(15) . .
O8 Zn2 N3 89.91(14) . .
O8 Zn2 N3 90.09(14) 5_666 .
O1 Zn2 N3 91.18(15) 5_666 5_666
O1 Zn2 N3 88.82(15) . 5_666
O8 Zn2 N3 90.09(14) . 5_666
O8 Zn2 N3 89.91(14) 5_666 5_666
N3 Zn2 N3 180.0 . 5_666
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O7 1.242(7) .
C1 O6 1.292(7) .
C1 C2 1.489(8) .
C2 C3 1.394(8) .
C2 C7 1.428(7) .
C3 C4 1.388(8) .
C3 H3 0.9300 .
C4 C5 1.390(7) .
C4 H4 0.9300 .
C5 C6 1.375(7) .
C5 O3 1.395(6) .
C6 C7 1.404(7) .
C6 H6A 0.9300 .
C7 C8 1.511(7) .
C8 O5 1.241(6) .
C8 O4 1.287(6) .
C9 C18 1.378(7) .
C9 O3 1.396(6) .
C9 C10 1.409(8) .
C10 C11 1.362(9) .
C10 H10A 0.9300 .
C11 C12 1.419(9) .
C11 H11 0.9300 .
C12 C13 1.415(9) .
C12 C17 1.436(8) .
C13 C14 1.340(11) .
C13 H13 0.9300 .
C14 C15 1.414(12) .
C14 H14 0.9300 .
C15 C16 1.389(9) .
C15 H15 0.9300 .
C16 C17 1.413(8) .
C16 H16 0.9300 .
C17 C18 1.428(8) .
C18 C19 1.501(7) .
C19 O1 1.260(6) .
C19 O2 1.262(6) .
C20 N3 1.334(7) .
C20 C21 1.374(7) .
C20 H20 0.9300 .
C21 C22 1.399(7) .
C21 H21 0.9300 .
C22 C23 1.386(7) .
C22 C22 1.502(10) 7_666
C23 C24 1.387(7) .
C23 H23 0.9300 .
C24 N3 1.345(7) .
C24 H24 0.9300 .
C25 C26 1.388(7) .
C25 C26 1.388(7) 2_655
C25 C30 1.472(10) 1_545
C26 C27 1.380(7) .
C26 H26 0.9300 .
C27 N1 1.343(6) .
C27 H27 0.9300 .
C28 N2 1.345(6) .
C28 C29 1.388(7) .
C28 H28 0.9300 .
C29 C30 1.393(6) .
C29 H29 0.9300 .
C30 C29 1.393(6) 2_655
C30 C25 1.472(10) 1_565
N1 C27 1.343(6) 2_655
N1 Zn1 2.147(5) .
N2 C28 1.345(6) 2_655
N2 Zn1 2.135(6) .
N3 Zn2 2.194(4) .
O1 Zn2 2.070(3) .
O6 H6 0.8200 .
O8 Zn2 2.175(3) .
O8 H8A 0.8500 .
O8 H8B 0.8500 .
O9 Zn1 2.155(4) .
O9 H9A 0.9600 .
O9 H9B 0.9600 .
O10 Zn1 2.111(4) .
O10 H10B 0.8498 .
O10 H10D 0.8501 .
Zn1 O10 2.111(4) 2_655
Zn1 O9 2.155(4) 2_655
Zn2 O1 2.070(3) 5_666
Zn2 O8 2.175(3) 5_666
Zn2 N3 2.194(4) 5_666
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
O7 C1 C2 C3 20.7(8) . . . .
O6 C1 C2 C3 -158.0(6) . . . .
O7 C1 C2 C7 -157.4(6) . . . .
O6 C1 C2 C7 23.9(9) . . . .
C7 C2 C3 C4 0.6(9) . . . .
C1 C2 C3 C4 -177.7(6) . . . .
C2 C3 C4 C5 0.9(10) . . . .
C3 C4 C5 C6 -2.5(9) . . . .
C3 C4 C5 O3 174.2(6) . . . .
C4 C5 C6 C7 2.5(9) . . . .
O3 C5 C6 C7 -174.1(5) . . . .
C5 C6 C7 C2 -0.8(8) . . . .
C5 C6 C7 C8 177.9(5) . . . .
C3 C2 C7 C6 -0.7(8) . . . .
C1 C2 C7 C6 177.3(6) . . . .
C3 C2 C7 C8 -179.3(5) . . . .
C1 C2 C7 C8 -1.3(9) . . . .
C6 C7 C8 O5 -18.9(7) . . . .
C2 C7 C8 O5 159.7(5) . . . .
C6 C7 C8 O4 157.5(5) . . . .
C2 C7 C8 O4 -23.9(8) . . . .
C18 C9 C10 C11 -3.4(8) . . . .
O3 C9 C10 C11 -179.8(5) . . . .
C9 C10 C11 C12 0.7(9) . . . .
C10 C11 C12 C13 -177.2(6) . . . .
C10 C11 C12 C17 2.8(9) . . . .
C11 C12 C13 C14 -178.3(7) . . . .
C17 C12 C13 C14 1.7(10) . . . .
C12 C13 C14 C15 0.3(12) . . . .
C13 C14 C15 C16 -1.5(12) . . . .
C14 C15 C16 C17 0.7(11) . . . .
C15 C16 C17 C18 -177.3(6) . . . .
C15 C16 C17 C12 1.3(9) . . . .
C13 C12 C17 C16 -2.5(8) . . . .
C11 C12 C17 C16 177.6(6) . . . .
C13 C12 C17 C18 176.2(5) . . . .
C11 C12 C17 C18 -3.8(8) . . . .
O3 C9 C18 C17 178.8(4) . . . .
C10 C9 C18 C17 2.3(8) . . . .
O3 C9 C18 C19 -1.7(7) . . . .
C10 C9 C18 C19 -178.2(5) . . . .
C16 C17 C18 C9 179.9(6) . . . .
C12 C17 C18 C9 1.3(8) . . . .
C16 C17 C18 C19 0.3(8) . . . .
C12 C17 C18 C19 -178.2(5) . . . .
C9 C18 C19 O1 -84.1(6) . . . .
C17 C18 C19 O1 95.4(6) . . . .
C9 C18 C19 O2 98.8(6) . . . .
C17 C18 C19 O2 -81.7(6) . . . .
N3 C20 C21 C22 0.2(10) . . . .
C20 C21 C22 C23 -2.0(9) . . . .
C20 C21 C22 C22 178.4(6) . . . 7_666
C21 C22 C23 C24 2.2(8) . . . .
C22 C22 C23 C24 -178.1(6) 7_666 . . .
C22 C23 C24 N3 -0.8(9) . . . .
C26 C25 C26 C27 -0.4(4) 2_655 . . .
C30 C25 C26 C27 179.6(4) 1_545 . . .
C25 C26 C27 N1 0.9(9) . . . .
N2 C28 C29 C30 -2.1(8) . . . .
C28 C29 C30 C29 1.0(4) . . . 2_655
C28 C29 C30 C25 -179.0(4) . . . 1_565
C26 C27 N1 C27 -0.4(4) . . . 2_655
C26 C27 N1 Zn1 179.6(4) . . . .
C29 C28 N2 C28 1.1(4) . . . 2_655
C29 C28 N2 Zn1 -178.9(4) . . . .
C21 C20 N3 C24 1.2(9) . . . .
C21 C20 N3 Zn2 -171.2(5) . . . .
C23 C24 N3 C20 -0.9(8) . . . .
C23 C24 N3 Zn2 171.8(4) . . . .
O2 C19 O1 Zn2 -7.2(8) . . . .
C18 C19 O1 Zn2 175.9(3) . . . .
C6 C5 O3 C9 -61.7(7) . . . .
C4 C5 O3 C9 121.7(5) . . . .
C18 C9 O3 C5 116.4(5) . . . .
C10 C9 O3 C5 -67.0(6) . . . .
C28 N2 Zn1 O10 93.1(3) 2_655 . . .
C28 N2 Zn1 O10 -86.9(3) . . . .
C28 N2 Zn1 O10 -86.9(3) 2_655 . . 2_655
C28 N2 Zn1 O10 93.1(3) . . . 2_655
C28 N2 Zn1 N1 0(100) 2_655 . . .
C28 N2 Zn1 N1 0(100) . . . .
C28 N2 Zn1 O9 -177.5(3) 2_655 . . .
C28 N2 Zn1 O9 2.5(3) . . . .
C28 N2 Zn1 O9 2.5(3) 2_655 . . 2_655
C28 N2 Zn1 O9 -177.5(3) . . . 2_655
C27 N1 Zn1 O10 -36.5(3) . . . .
C27 N1 Zn1 O10 143.5(3) 2_655 . . .
C27 N1 Zn1 O10 143.5(3) . . . 2_655
C27 N1 Zn1 O10 -36.5(3) 2_655 . . 2_655
C27 N1 Zn1 N2 0(100) . . . .
C27 N1 Zn1 N2 0(100) 2_655 . . .
C27 N1 Zn1 O9 -125.9(3) . . . .
C27 N1 Zn1 O9 54.1(3) 2_655 . . .
C27 N1 Zn1 O9 54.1(3) . . . 2_655
C27 N1 Zn1 O9 -125.9(3) 2_655 . . 2_655
C19 O1 Zn2 O1 -53(100) . . . 5_666
C19 O1 Zn2 O8 177.6(4) . . . .
C19 O1 Zn2 O8 -2.4(4) . . . 5_666
C19 O1 Zn2 N3 87.7(4) . . . .
C19 O1 Zn2 N3 -92.3(4) . . . 5_666
C20 N3 Zn2 O1 125.0(4) . . . 5_666
C24 N3 Zn2 O1 -47.1(4) . . . 5_666
C20 N3 Zn2 O1 -55.0(4) . . . .
C24 N3 Zn2 O1 132.9(4) . . . .
C20 N3 Zn2 O8 -143.4(4) . . . .
C24 N3 Zn2 O8 44.5(4) . . . .
C20 N3 Zn2 O8 36.6(4) . . . 5_666
C24 N3 Zn2 O8 -135.5(4) . . . 5_666
C20 N3 Zn2 N3 -35(100) . . . 5_666
C24 N3 Zn2 N3 153(100) . . . 5_666
