#------------------------------------------------------------------------------
#$Date: 2023-12-04 18:25:12 +0200 (Mon, 04 Dec 2023) $
#$Revision: 288009 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/10/67/7106773.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_7106773
loop_
_publ_author_name
'Ou, Yong-Cong'
'Liu, Wen-Ting'
'Li, Jin-Yan'
'Zhang, Gong-Guo'
'Wang, Jing'
'Tong, Ming-Liang'
_publ_section_title
;
 Solvochromic and photodimerization behaviour of 1D coordination polymer via
 single-crystal-to-single-crystal transformation
;
_journal_coden_ASTM              CHCOFS
_journal_issue                   33
_journal_name_full
;
 Chemical Communications (Cambridge, United Kingdom)
;
_journal_page_first              9384
_journal_page_last               9386
_journal_paper_doi               10.1039/c1cc13018h
_journal_volume                  47
_journal_year                    2011
_chemical_formula_sum            'C28 H18 N2 O8 Zn2'
_chemical_formula_weight         641.18
_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                85.944(7)
_cell_angle_beta                 82.190(7)
_cell_angle_gamma                70.351(7)
_cell_formula_units_Z            2
_cell_length_a                   7.4502(6)
_cell_length_b                   10.2325(8)
_cell_length_c                   17.6490(15)
_cell_measurement_reflns_used    1958
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      62.4590
_cell_measurement_theta_min      4.5831
_cell_volume                     1254.91(19)
_computing_cell_refinement
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.44 (release 25-10-2010 CrysAlis171 .NET)
(compiled Oct 25 2010,18:11:34)
;
_computing_data_collection
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.44 (release 25-10-2010 CrysAlis171 .NET)
(compiled Oct 25 2010,18:11:34)
;
_computing_data_reduction
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.44 (release 25-10-2010 CrysAlis171 .NET)
(compiled Oct 25 2010,18:11:34)
;
_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      150(2)
_diffrn_detector_area_resol_mean 16.0855
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini ultra'
_diffrn_measurement_method       'ω and π scan'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'Enhance Ultra (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0644
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            5399
_diffrn_reflns_theta_full        60.00
_diffrn_reflns_theta_max         60.00
_diffrn_reflns_theta_min         4.59
_exptl_absorpt_coefficient_mu    2.851
_exptl_absorpt_correction_T_max  0.8476
_exptl_absorpt_correction_T_min  0.6279
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.44 (release 25-10-2010 CrysAlis171 .NET)
(compiled Oct 25 2010,18:11:34)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_density_diffrn    1.697
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             648
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.06
_refine_diff_density_max         2.060
_refine_diff_density_min         -0.971
_refine_diff_density_rms         0.181
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     362
_refine_ls_number_reflns         5400
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0891
_refine_ls_R_factor_gt           0.0759
_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)+(0.1656P)²+0.1409P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2073
_refine_ls_wR_factor_ref         0.2185
_reflns_number_gt                4343
_reflns_number_total             5400
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1cc13018h.txt
_cod_data_source_block           2
_cod_original_cell_volume        1254.91(18)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7106773
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 1.00338(13) 0.96134(9) 0.27550(5) 0.0233(3) Uani 1 1 d . . .
Zn2 Zn 0.54110(14) 1.05949(10) 0.21138(5) 0.0238(3) Uani 1 1 d . . .
O1 O 0.8162(7) 0.8835(5) 0.3437(3) 0.0316(12) Uani 1 1 d . . .
O2 O 0.5295(8) 0.9433(7) 0.3010(3) 0.0410(14) Uani 1 1 d . . .
O3 O 0.2480(8) 0.8023(6) 0.3276(3) 0.0349(13) Uani 1 1 d . . .
O4 O 0.1078(7) 1.0170(5) 0.3664(3) 0.0306(12) Uani 1 1 d . . .
O5 O 0.3222(8) 1.2278(6) 0.2251(3) 0.0348(13) Uani 1 1 d . . .
O6 O 0.1558(7) 1.0962(5) 0.2037(3) 0.0231(11) Uani 1 1 d . . .
O7 O -0.2329(7) 1.1100(5) 0.2263(3) 0.0262(11) Uani 1 1 d . . .
O8 O -0.2689(9) 1.2547(6) 0.1252(3) 0.0419(15) Uani 1 1 d . . .
N1 N 1.0769(8) 0.8233(6) 0.1857(3) 0.0229(12) Uani 1 1 d . . .
N2 N 0.5926(9) 0.9318(6) 0.1236(3) 0.0255(13) Uani 1 1 d . . .
C1 C 0.5463(10) 0.8590(7) 0.4259(4) 0.0218(14) Uani 1 1 d . . .
C2 C 0.3576(10) 0.8663(7) 0.4359(4) 0.0240(15) Uani 1 1 d . . .
C3 C 0.2724(12) 0.8383(8) 0.5078(4) 0.0305(17) Uani 1 1 d . . .
H3 H 0.1410 0.8449 0.5148 0.037 Uiso 1 1 calc R . .
C4 C 0.3791(12) 0.8009(8) 0.5686(4) 0.0330(18) Uani 1 1 d . . .
H4 H 0.3201 0.7820 0.6174 0.040 Uiso 1 1 calc R . .
C5 C 0.5699(12) 0.7906(8) 0.5598(4) 0.0340(18) Uani 1 1 d . . .
H5 H 0.6419 0.7640 0.6021 0.041 Uiso 1 1 calc R . .
C6 C 0.6573(11) 0.8195(8) 0.4884(5) 0.0318(17) Uani 1 1 d . . .
H6 H 0.7888 0.8129 0.4817 0.038 Uiso 1 1 calc R . .
C7 C 0.6403(11) 0.8968(7) 0.3513(4) 0.0258(16) Uani 1 1 d . . .
C8 C 0.2327(10) 0.8985(8) 0.3722(4) 0.0275(16) Uani 1 1 d . . .
C9 C -0.0121(11) 1.3153(7) 0.2583(4) 0.0275(17) Uani 1 1 d . . .
C10 C -0.1907(11) 1.3277(7) 0.2380(4) 0.0250(16) Uani 1 1 d . . .
C11 C -0.3554(12) 1.4400(8) 0.2641(4) 0.0313(17) Uani 1 1 d . . .
H11 H -0.4759 1.4514 0.2474 0.038 Uiso 1 1 calc R . .
C12 C -0.3399(13) 1.5320(8) 0.3137(5) 0.039(2) Uani 1 1 d . . .
H12 H -0.4506 1.6060 0.3324 0.047 Uiso 1 1 calc R . .
C13 C -0.1621(13) 1.5172(8) 0.3368(5) 0.0379(19) Uani 1 1 d . . .
H13 H -0.1529 1.5795 0.3723 0.046 Uiso 1 1 calc R . .
C14 C 0.0026(12) 1.4113(8) 0.3079(4) 0.0304(17) Uani 1 1 d . . .
H14 H 0.1242 1.4045 0.3219 0.037 Uiso 1 1 calc R . .
C15 C 0.1624(11) 1.2031(7) 0.2271(4) 0.0274(17) Uani 1 1 d . . .
C16 C -0.2287(10) 1.2244(7) 0.1913(4) 0.0235(15) Uani 1 1 d . . .
C17 C 0.5813(15) 0.8086(10) 0.1422(7) 0.060(3) Uani 1 1 d . . .
H17 H 0.5178 0.7933 0.1907 0.072 Uiso 1 1 calc R . .
C18 C 0.6620(18) 0.6979(10) 0.0911(7) 0.071(4) Uani 1 1 d . . .
H18 H 0.6493 0.6098 0.1053 0.085 Uiso 1 1 calc R . .
C19 C 0.7573(11) 0.7155(8) 0.0222(4) 0.0273(16) Uani 1 1 d . . .
C20 C 0.754(2) 0.8482(10) 0.0030(5) 0.078(4) Uani 1 1 d . . .
H20 H 0.8070 0.8684 -0.0466 0.093 Uiso 1 1 calc R . .
C21 C 0.674(2) 0.9522(9) 0.0543(5) 0.071(4) Uani 1 1 d . . .
H21 H 0.6778 1.0425 0.0396 0.086 Uiso 1 1 calc R . .
C22 C 0.8995(11) 0.5971(7) -0.0226(4) 0.0277(16) Uani 1 1 d . . .
H22 H 0.9071 0.6202 -0.0787 0.033 Uiso 1 1 calc R . .
C23 C 1.1103(11) 0.5508(7) 0.0066(4) 0.0274(16) Uani 1 1 d . . .
H23 H 1.2103 0.5509 -0.0374 0.033 Uiso 1 1 calc R . .
C24 C 1.1270(12) 0.6329(8) 0.0712(5) 0.0335(18) Uani 1 1 d . . .
C25 C 1.094(2) 0.6032(9) 0.1443(5) 0.083(5) Uani 1 1 d . . .
H25 H 1.0879 0.5137 0.1595 0.099 Uiso 1 1 calc R . .
C26 C 1.067(2) 0.6987(11) 0.1993(5) 0.077(4) Uani 1 1 d U . .
H26 H 1.0402 0.6720 0.2511 0.092 Uiso 1 1 calc R . .
C27 C 1.124(2) 0.8480(12) 0.1137(6) 0.078(4) Uani 1 1 d . . .
H27 H 1.1413 0.9347 0.1001 0.093 Uiso 1 1 calc R . .
C28 C 1.149(2) 0.7587(13) 0.0560(6) 0.087(5) Uani 1 1 d . . .
H28 H 1.1834 0.7849 0.0048 0.105 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 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn -1.5491 0.6778 '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 O4 94.1(2) . 1_655 ?
O1 Zn1 N1 99.0(2) . . ?
O4 Zn1 N1 143.2(2) 1_655 . ?
O1 Zn1 O7 89.8(2) . 1_655 ?
O4 Zn1 O7 119.4(2) 1_655 1_655 ?
N1 Zn1 O7 95.0(2) . 1_655 ?
O1 Zn1 O3 89.2(2) . 1_655 ?
O4 Zn1 O3 61.3(2) 1_655 1_655 ?
N1 Zn1 O3 84.6(2) . 1_655 ?
O7 Zn1 O3 178.83(19) 1_655 1_655 ?
O1 Zn1 O6 166.66(19) . 1_655 ?
O4 Zn1 O6 84.72(18) 1_655 1_655 ?
N1 Zn1 O6 89.6(2) . 1_655 ?
O7 Zn1 O6 79.27(18) 1_655 1_655 ?
O3 Zn1 O6 101.81(19) 1_655 1_655 ?
O1 Zn1 C8 91.9(2) . 1_655 ?
O4 Zn1 C8 30.6(2) 1_655 1_655 ?
N1 Zn1 C8 114.3(2) . 1_655 ?
O7 Zn1 C8 150.0(2) 1_655 1_655 ?
O3 Zn1 C8 30.7(2) 1_655 1_655 ?
O6 Zn1 C8 93.7(2) 1_655 1_655 ?
O2 Zn2 O5 107.2(3) . . ?
O2 Zn2 O7 99.7(2) . 1_655 ?
O5 Zn2 O7 106.1(2) . 1_655 ?
O2 Zn2 N2 104.4(3) . . ?
O5 Zn2 N2 123.9(2) . . ?
O7 Zn2 N2 112.7(2) 1_655 . ?
C7 O1 Zn1 138.6(5) . . ?
C7 O2 Zn2 132.3(5) . . ?
C8 O3 Zn1 84.7(4) . 1_455 ?
C8 O4 Zn1 93.1(5) . 1_455 ?
C15 O5 Zn2 111.5(4) . . ?
C15 O6 Zn1 122.2(4) . 1_455 ?
C16 O7 Zn2 113.7(4) . 1_455 ?
C16 O7 Zn1 125.0(4) . 1_455 ?
Zn2 O7 Zn1 120.0(2) 1_455 1_455 ?
C27 N1 C26 113.1(7) . . ?
C27 N1 Zn1 127.6(6) . . ?
C26 N1 Zn1 119.3(5) . . ?
C17 N2 C21 118.3(7) . . ?
C17 N2 Zn2 115.4(6) . . ?
C21 N2 Zn2 124.6(6) . . ?
C2 C1 C6 120.0(7) . . ?
C2 C1 C7 122.1(6) . . ?
C6 C1 C7 117.8(7) . . ?
C1 C2 C3 120.2(7) . . ?
C1 C2 C8 123.8(6) . . ?
C3 C2 C8 116.0(7) . . ?
C4 C3 C2 120.0(8) . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
C5 C4 C3 121.0(7) . . ?
C5 C4 H4 119.5 . . ?
C3 C4 H4 119.5 . . ?
C4 C5 C6 119.9(7) . . ?
C4 C5 H5 120.1 . . ?
C6 C5 H5 120.1 . . ?
C5 C6 C1 119.0(7) . . ?
C5 C6 H6 120.5 . . ?
C1 C6 H6 120.5 . . ?
O2 C7 O1 125.5(7) . . ?
O2 C7 C1 114.4(7) . . ?
O1 C7 C1 120.1(6) . . ?
O4 C8 O3 121.0(7) . . ?
O4 C8 C2 120.2(7) . . ?
O3 C8 C2 118.7(7) . . ?
O4 C8 Zn1 56.3(4) . 1_455 ?
O3 C8 Zn1 64.6(4) . 1_455 ?
C2 C8 Zn1 175.1(5) . 1_455 ?
C10 C9 C14 119.2(7) . . ?
C10 C9 C15 120.6(7) . . ?
C14 C9 C15 120.1(8) . . ?
C9 C10 C11 120.5(7) . . ?
C9 C10 C16 124.4(7) . . ?
C11 C10 C16 115.0(7) . . ?
C12 C11 C10 119.7(8) . . ?
C12 C11 H11 120.2 . . ?
C10 C11 H11 120.2 . . ?
C11 C12 C13 120.1(7) . . ?
C11 C12 H12 119.9 . . ?
C13 C12 H12 119.9 . . ?
C12 C13 C14 120.5(7) . . ?
C12 C13 H13 119.8 . . ?
C14 C13 H13 119.8 . . ?
C13 C14 C9 119.9(8) . . ?
C13 C14 H14 120.1 . . ?
C9 C14 H14 120.1 . . ?
O6 C15 O5 122.1(6) . . ?
O6 C15 C9 122.4(7) . . ?
O5 C15 C9 115.5(7) . . ?
O8 C16 O7 123.0(6) . . ?
O8 C16 C10 120.5(6) . . ?
O7 C16 C10 116.3(6) . . ?
N2 C17 C18 121.0(9) . . ?
N2 C17 H17 119.5 . . ?
C18 C17 H17 119.5 . . ?
C19 C18 C17 121.0(8) . . ?
C19 C18 H18 119.5 . . ?
C17 C18 H18 119.5 . . ?
C18 C19 C20 115.9(8) . . ?
C18 C19 C22 123.1(7) . . ?
C20 C19 C22 119.2(8) . . ?
C21 C20 C19 121.0(8) . . ?
C21 C20 H20 119.5 . . ?
C19 C20 H20 119.5 . . ?
N2 C21 C20 122.5(8) . . ?
N2 C21 H21 118.7 . . ?
C20 C21 H21 118.7 . . ?
C19 C22 C23 119.2(6) . 2_765 ?
C19 C22 C23 111.9(6) . . ?
C23 C22 C23 91.1(6) 2_765 . ?
C19 C22 H22 111.1 . . ?
C23 C22 H22 111.1 2_765 . ?
C23 C22 H22 111.1 . . ?
C24 C23 C22 119.7(6) . 2_765 ?
C24 C23 C22 115.5(6) . . ?
C22 C23 C22 88.9(6) 2_765 . ?
C24 C23 H23 110.3 . . ?
C22 C23 H23 110.3 2_765 . ?
C22 C23 H23 110.3 . . ?
C25 C24 C28 114.6(8) . . ?
C25 C24 C23 125.1(8) . . ?
C28 C24 C23 119.5(8) . . ?
C24 C25 C26 121.5(8) . . ?
C24 C25 H25 119.2 . . ?
C26 C25 H25 119.2 . . ?
N1 C26 C25 124.9(8) . . ?
N1 C26 H26 117.6 . . ?
C25 C26 H26 117.6 . . ?
N1 C27 C28 125.0(9) . . ?
N1 C27 H27 117.5 . . ?
C28 C27 H27 117.5 . . ?
C24 C28 C27 120.6(9) . . ?
C24 C28 H28 119.7 . . ?
C27 C28 H28 119.7 . . ?
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 2.045(5) . ?
Zn1 O4 2.066(5) 1_655 ?
Zn1 N1 2.090(6) . ?
Zn1 O7 2.144(5) 1_655 ?
Zn1 O3 2.250(6) 1_655 ?
Zn1 O6 2.284(5) 1_655 ?
Zn1 C8 2.479(8) 1_655 ?
Zn2 O2 1.921(5) . ?
Zn2 O5 1.936(5) . ?
Zn2 O7 1.973(5) 1_655 ?
Zn2 N2 2.010(5) . ?
O1 C7 1.260(9) . ?
O2 C7 1.253(9) . ?
O3 C8 1.270(9) . ?
O3 Zn1 2.250(6) 1_455 ?
O4 C8 1.263(9) . ?
O4 Zn1 2.066(5) 1_455 ?
O5 C15 1.293(10) . ?
O6 C15 1.215(9) . ?
O6 Zn1 2.284(5) 1_455 ?
O7 C16 1.292(9) . ?
O7 Zn2 1.973(5) 1_455 ?
O7 Zn1 2.144(5) 1_455 ?
O8 C16 1.237(9) . ?
N1 C27 1.302(12) . ?
N1 C26 1.304(11) . ?
N2 C17 1.308(11) . ?
N2 C21 1.327(12) . ?
C1 C2 1.370(10) . ?
C1 C6 1.423(10) . ?
C1 C7 1.494(10) . ?
C2 C3 1.395(10) . ?
C2 C8 1.504(10) . ?
C3 C4 1.379(11) . ?
C3 H3 0.9500 . ?
C4 C5 1.378(12) . ?
C4 H4 0.9500 . ?
C5 C6 1.397(11) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C8 Zn1 2.479(8) 1_455 ?
C9 C10 1.387(11) . ?
C9 C14 1.402(11) . ?
C9 C15 1.484(10) . ?
C10 C11 1.418(11) . ?
C10 C16 1.505(10) . ?
C11 C12 1.372(12) . ?
C11 H11 0.9500 . ?
C12 C13 1.395(13) . ?
C12 H12 0.9500 . ?
C13 C14 1.397(11) . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C17 C18 1.412(13) . ?
C17 H17 0.9500 . ?
C18 C19 1.356(12) . ?
C18 H18 0.9500 . ?
C19 C20 1.368(12) . ?
C19 C22 1.504(10) . ?
C20 C21 1.366(13) . ?
C20 H20 0.9500 . ?
C21 H21 0.9500 . ?
C22 C23 1.544(10) 2_765 ?
C22 C23 1.625(11) . ?
C22 H22 1.0000 . ?
C23 C24 1.506(10) . ?
C23 C22 1.544(10) 2_765 ?
C23 H23 1.0000 . ?
C24 C25 1.314(13) . ?
C24 C28 1.356(13) . ?
C25 C26 1.374(13) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C27 C28 1.367(13) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
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
O4 Zn1 O1 C7 127.7(7) 1_655 . . . ?
N1 Zn1 O1 C7 -86.8(7) . . . . ?
O7 Zn1 O1 C7 8.2(7) 1_655 . . . ?
O3 Zn1 O1 C7 -171.2(7) 1_655 . . . ?
O6 Zn1 O1 C7 43.2(13) 1_655 . . . ?
C8 Zn1 O1 C7 158.2(7) 1_655 . . . ?
O5 Zn2 O2 C7 -117.7(7) . . . . ?
O7 Zn2 O2 C7 -7.3(8) 1_655 . . . ?
N2 Zn2 O2 C7 109.3(7) . . . . ?
O2 Zn2 O5 C15 -65.3(5) . . . . ?
O7 Zn2 O5 C15 -171.1(5) 1_655 . . . ?
N2 Zn2 O5 C15 56.2(6) . . . . ?
O1 Zn1 N1 C27 148.8(10) . . . . ?
O4 Zn1 N1 C27 -101.7(10) 1_655 . . . ?
O7 Zn1 N1 C27 58.2(10) 1_655 . . . ?
O3 Zn1 N1 C27 -122.9(10) 1_655 . . . ?
O6 Zn1 N1 C27 -21.0(10) 1_655 . . . ?
C8 Zn1 N1 C27 -115.0(10) 1_655 . . . ?
O1 Zn1 N1 C26 -27.1(9) . . . . ?
O4 Zn1 N1 C26 82.4(9) 1_655 . . . ?
O7 Zn1 N1 C26 -117.7(9) 1_655 . . . ?
O3 Zn1 N1 C26 61.2(9) 1_655 . . . ?
O6 Zn1 N1 C26 163.1(9) 1_655 . . . ?
C8 Zn1 N1 C26 69.1(9) 1_655 . . . ?
O2 Zn2 N2 C17 9.0(7) . . . . ?
O5 Zn2 N2 C17 -113.7(7) . . . . ?
O7 Zn2 N2 C17 116.2(7) 1_655 . . . ?
O2 Zn2 N2 C21 -156.0(9) . . . . ?
O5 Zn2 N2 C21 81.3(9) . . . . ?
O7 Zn2 N2 C21 -48.8(9) 1_655 . . . ?
C6 C1 C2 C3 1.5(10) . . . . ?
C7 C1 C2 C3 -176.0(6) . . . . ?
C6 C1 C2 C8 -176.2(6) . . . . ?
C7 C1 C2 C8 6.4(10) . . . . ?
C1 C2 C3 C4 -1.1(11) . . . . ?
C8 C2 C3 C4 176.8(7) . . . . ?
C2 C3 C4 C5 0.0(12) . . . . ?
C3 C4 C5 C6 0.6(12) . . . . ?
C4 C5 C6 C1 -0.1(11) . . . . ?
C2 C1 C6 C5 -0.9(10) . . . . ?
C7 C1 C6 C5 176.7(6) . . . . ?
Zn2 O2 C7 O1 -21.7(12) . . . . ?
Zn2 O2 C7 C1 156.8(5) . . . . ?
Zn1 O1 C7 O2 20.7(12) . . . . ?
Zn1 O1 C7 C1 -157.7(5) . . . . ?
C2 C1 C7 O2 4.1(9) . . . . ?
C6 C1 C7 O2 -173.4(7) . . . . ?
C2 C1 C7 O1 -177.2(6) . . . . ?
C6 C1 C7 O1 5.2(9) . . . . ?
Zn1 O4 C8 O3 0.0(7) 1_455 . . . ?
Zn1 O4 C8 C2 -176.0(6) 1_455 . . . ?
Zn1 O3 C8 O4 0.0(6) 1_455 . . . ?
Zn1 O3 C8 C2 176.0(6) 1_455 . . . ?
C1 C2 C8 O4 -104.5(8) . . . . ?
C3 C2 C8 O4 77.7(9) . . . . ?
C1 C2 C8 O3 79.4(9) . . . . ?
C3 C2 C8 O3 -98.4(8) . . . . ?
C1 C2 C8 Zn1 -148(6) . . . 1_455 ?
C3 C2 C8 Zn1 34(7) . . . 1_455 ?
C14 C9 C10 C11 3.0(10) . . . . ?
C15 C9 C10 C11 -176.1(6) . . . . ?
C14 C9 C10 C16 -174.1(7) . . . . ?
C15 C9 C10 C16 6.8(11) . . . . ?
C9 C10 C11 C12 -4.1(11) . . . . ?
C16 C10 C11 C12 173.2(7) . . . . ?
C10 C11 C12 C13 1.6(11) . . . . ?
C11 C12 C13 C14 1.9(12) . . . . ?
C12 C13 C14 C9 -3.0(12) . . . . ?
C10 C9 C14 C13 0.6(11) . . . . ?
C15 C9 C14 C13 179.6(7) . . . . ?
Zn1 O6 C15 O5 128.6(6) 1_455 . . . ?
Zn1 O6 C15 C9 -52.7(8) 1_455 . . . ?
Zn2 O5 C15 O6 -17.4(9) . . . . ?
Zn2 O5 C15 C9 163.8(5) . . . . ?
C10 C9 C15 O6 -23.3(11) . . . . ?
C14 C9 C15 O6 157.6(7) . . . . ?
C10 C9 C15 O5 155.4(7) . . . . ?
C14 C9 C15 O5 -23.7(10) . . . . ?
Zn2 O7 C16 O8 -42.9(9) 1_455 . . . ?
Zn1 O7 C16 O8 124.0(7) 1_455 . . . ?
Zn2 O7 C16 C10 131.2(5) 1_455 . . . ?
Zn1 O7 C16 C10 -61.9(8) 1_455 . . . ?
C9 C10 C16 O8 -110.1(9) . . . . ?
C11 C10 C16 O8 72.7(9) . . . . ?
C9 C10 C16 O7 75.6(9) . . . . ?
C11 C10 C16 O7 -101.6(8) . . . . ?
C21 N2 C17 C18 3.0(17) . . . . ?
Zn2 N2 C17 C18 -163.0(10) . . . . ?
N2 C17 C18 C19 1(2) . . . . ?
C17 C18 C19 C20 -5.9(18) . . . . ?
C17 C18 C19 C22 158.9(11) . . . . ?
C18 C19 C20 C21 6(2) . . . . ?
C22 C19 C20 C21 -159.2(13) . . . . ?
C17 N2 C21 C20 -3(2) . . . . ?
Zn2 N2 C21 C20 161.8(11) . . . . ?
C19 C20 C21 N2 -2(2) . . . . ?
C18 C19 C22 C23 22.0(13) . . . 2_765 ?
C20 C19 C22 C23 -173.7(9) . . . 2_765 ?
C18 C19 C22 C23 -82.4(11) . . . . ?
C20 C19 C22 C23 82.0(10) . . . . ?
C19 C22 C23 C24 -0.5(9) . . . . ?
C23 C22 C23 C24 -122.7(8) 2_765 . . . ?
C19 C22 C23 C22 122.2(7) . . . 2_765 ?
C23 C22 C23 C22 0.0 2_765 . . 2_765 ?
C22 C23 C24 C25 -15.3(14) 2_765 . . . ?
C22 C23 C24 C25 89.0(12) . . . . ?
C22 C23 C24 C28 175.3(10) 2_765 . . . ?
C22 C23 C24 C28 -80.3(12) . . . . ?
C28 C24 C25 C26 6(2) . . . . ?
C23 C24 C25 C26 -164.3(12) . . . . ?
C27 N1 C26 C25 -3(2) . . . . ?
Zn1 N1 C26 C25 173.4(12) . . . . ?
C24 C25 C26 N1 -2(3) . . . . ?
C26 N1 C27 C28 4(2) . . . . ?
Zn1 N1 C27 C28 -172.2(12) . . . . ?
C25 C24 C28 C27 -5(2) . . . . ?
C23 C24 C28 C27 165.8(13) . . . . ?
N1 C27 C28 C24 0(3) . . . . ?
