#------------------------------------------------------------------------------
#$Date: 2022-11-08 11:42:51 +0200 (Tue, 08 Nov 2022) $
#$Revision: 279090 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/60/8106011.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_8106011
loop_
_publ_author_name
'Sun, Tao'
'Li, Ke'
_publ_section_title
;
 Crystal structure of
 poly[(μ7-4-(3,5-dicarboxylatophenoxy)phthalato)-(1,10-phenanthroline-κ2N,N′)dizinc(II)],
 C28H14N2O9Zn2
;
_journal_issue                   6
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              1293
_journal_page_last               1294
_journal_paper_doi               10.1515/ncrs-2019-0416
_journal_volume                  234
_journal_year                    2019
_chemical_formula_moiety         'C28 H14 N2 O9 Zn2'
_chemical_formula_sum            'C28 H14 N2 O9 Zn2'
_chemical_formula_weight         653.15
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                95.202(6)
_cell_angle_beta                 107.027(5)
_cell_angle_gamma                91.896(5)
_cell_formula_units_Z            2
_cell_length_a                   9.6870(5)
_cell_length_b                   10.1849(9)
_cell_length_c                   12.7338(9)
_cell_measurement_reflns_used    6590
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.5790
_cell_measurement_theta_min      3.8550
_cell_volume                     1193.97(15)
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.0584
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω    -33.00  55.00   1.00    1.00    --  -13.80  38.00 -30.00   88
  2  ω    -83.00   5.00   1.00    1.00    --  -13.80 -38.00 150.00   88
  3  ω    -31.00  53.00   1.00    1.00    --  -13.80  57.00-120.00   84
  4  ω     -2.00  82.00   1.00    1.00    --   14.82  57.00  30.00   84
  5  ω    -20.00  54.00   1.00    1.00    --   14.82 -99.00  30.00   74
  6  ω    -20.00  54.00   1.00    1.00    --   14.82 -99.00-150.00   74
  7  ω    -12.00  59.00   1.00    1.00    --   14.82-108.00 -48.00   71
  8  ω    -52.00  32.00   1.00    1.00    --   14.82 -57.00  90.00   84
  9  ω    -12.00  82.00   1.00    1.00    --   14.82  77.00 -90.00   94
 10  ω    -12.00  82.00   1.00    1.00    --   14.82  77.00 120.00   94
 11  ω    -63.00   5.00   1.00    1.00    --  -13.80 117.00  29.92   68
 12  ω    -86.00 -39.00   1.00    1.00    --  -13.80-178.00  30.00   47
 13  ω    -52.00  32.00   1.00    1.00    --   14.82 -57.00 120.00   84
 14  ω    -20.00  46.00   1.00    1.00    --   14.82 -99.00 150.00   66
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset/far, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0387934000
_diffrn_orient_matrix_UB_12      -0.0063337000
_diffrn_orient_matrix_UB_13      -0.0570473000
_diffrn_orient_matrix_UB_21      -0.0049610000
_diffrn_orient_matrix_UB_22      -0.0696740000
_diffrn_orient_matrix_UB_23      -0.0002633000
_diffrn_orient_matrix_UB_31      -0.0660134000
_diffrn_orient_matrix_UB_32      0.0038586000
_diffrn_orient_matrix_UB_33      0.0133081000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0883
_diffrn_reflns_av_unetI/netI     0.0604
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            25935
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         3.37
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    2.074
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.36211
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.817
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             656
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.29
_refine_diff_density_max         0.908
_refine_diff_density_min         -0.745
_refine_diff_density_rms         0.105
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     370
_refine_ls_number_reflns         4433
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.082
_refine_ls_R_factor_all          0.0630
_refine_ls_R_factor_gt           0.0516
_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)+(0.0562P)²+1.1624P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1190
_refine_ls_wR_factor_ref         0.1267
_reflns_number_gt                3738
_reflns_number_total             4433
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            suppl_ncrs-2019-0416_suppl.cif
_cod_data_source_block           190
_cod_original_cell_volume        1193.97(14)
_cod_database_code               8106011
_chemical_oxdiff_formula         'C H N O Zn'
_reflns_odcompleteness_completeness 99.75
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     25.30
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C6(H6), C7(H7), C10(H10), C11(H11), C12(H12),
 C15(H15), C17(H17), C19(H19), C21(H21), C22(H22), C25(H25)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.402
_oxdiff_exptl_absorpt_empirical_full_min 0.517
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
Zn1 Zn 0.80005(5) 0.87012(5) 0.39316(4) 0.02366(17) Uani 1 d . . .
Zn2 Zn 1.09938(5) 0.77784(5) 0.61098(4) 0.02333(17) Uani 1 d . . .
N1 N 0.7728(4) 0.7336(4) 0.2530(3) 0.0259(8) Uani 1 d . . .
N2 N 0.6048(4) 0.9252(4) 0.2878(3) 0.0272(9) Uani 1 d . . .
O1 O 0.7421(3) 0.7299(3) 0.4781(3) 0.0322(8) Uani 1 d . . .
O2 O 0.9303(3) 0.6692(3) 0.6101(3) 0.0400(9) Uani 1 d . . .
O3 O 0.2688(3) 0.7182(4) 0.5571(3) 0.0434(9) Uani 1 d . . .
O4 O 0.2619(3) 0.6486(4) 0.7112(3) 0.0439(9) Uani 1 d . . .
O5 O 0.6993(3) 0.3809(3) 0.8225(2) 0.0305(8) Uani 1 d . . .
O6 O 1.1044(5) -0.0972(4) 0.8557(3) 0.0592(12) Uani 1 d . . .
O7 O 1.0988(3) -0.0458(3) 0.6881(2) 0.0285(7) Uani 1 d . . .
O8 O 0.7932(3) 0.0029(3) 0.5239(2) 0.0262(7) Uani 1 d . . .
O9 O 0.9799(3) 0.1467(3) 0.5430(2) 0.0214(6) Uani 1 d . . .
C1 C 0.8503(5) 0.6316(5) 0.2414(4) 0.0351(12) Uani 1 d . . .
H1 H 0.9256 0.6129 0.3016 0.042 Uiso 1 calc . . R
C2 C 0.8231(6) 0.5513(5) 0.1420(4) 0.0427(13) Uani 1 d . . .
H2 H 0.8791 0.4801 0.1363 0.051 Uiso 1 calc . . R
C3 C 0.7145(6) 0.5781(6) 0.0542(5) 0.0478(14) Uani 1 d . . .
H3 H 0.6968 0.5260 -0.0127 0.057 Uiso 1 calc . . R
C4 C 0.6271(5) 0.6846(5) 0.0627(4) 0.0364(12) Uani 1 d . . .
C5 C 0.6614(5) 0.7582(5) 0.1663(4) 0.0276(10) Uani 1 d . . .
C6 C 0.5069(6) 0.7177(6) -0.0238(4) 0.0463(14) Uani 1 d . . .
H6 H 0.4852 0.6704 -0.0932 0.056 Uiso 1 calc . . R
C7 C 0.4241(6) 0.8160(6) -0.0073(4) 0.0432(14) Uani 1 d . . .
H7 H 0.3465 0.8353 -0.0656 0.052 Uiso 1 calc . . R
C8 C 0.4526(5) 0.8915(5) 0.0975(4) 0.0338(12) Uani 1 d . . .
C9 C 0.5707(5) 0.8628(4) 0.1847(4) 0.0266(10) Uani 1 d . . .
C10 C 0.3677(5) 0.9920(5) 0.1222(5) 0.0429(14) Uani 1 d . . .
H10 H 0.2891 1.0165 0.0672 0.052 Uiso 1 calc . . R
C11 C 0.4002(5) 1.0526(5) 0.2252(5) 0.0438(13) Uani 1 d . . .
H11 H 0.3431 1.1185 0.2414 0.053 Uiso 1 calc . . R
C12 C 0.5185(5) 1.0178(5) 0.3084(4) 0.0369(12) Uani 1 d . . .
H12 H 0.5380 1.0599 0.3795 0.044 Uiso 1 calc . . R
C13 C 0.7976(4) 0.6758(4) 0.5625(4) 0.0240(10) Uani 1 d . . .
C14 C 0.6968(4) 0.6116(4) 0.6162(3) 0.0212(9) Uani 1 d . . .
C15 C 0.5552(4) 0.6478(4) 0.5930(3) 0.0226(9) Uani 1 d . . .
H15 H 0.5197 0.7038 0.5389 0.027 Uiso 1 calc . . R
C16 C 0.4666(4) 0.6002(4) 0.6507(4) 0.0225(9) Uani 1 d . . .
C17 C 0.5149(4) 0.5069(4) 0.7240(4) 0.0238(10) Uani 1 d . . .
H17 H 0.4533 0.4709 0.7593 0.029 Uiso 1 calc . . R
C18 C 0.6546(4) 0.4678(4) 0.7442(3) 0.0207(9) Uani 1 d . . .
C19 C 0.7474(4) 0.5239(4) 0.6927(4) 0.0251(10) Uani 1 d . . .
H19 H 0.8434 0.5020 0.7099 0.030 Uiso 1 calc . . R
C20 C 0.7935(4) 0.2849(4) 0.8079(4) 0.0233(9) Uani 1 d . . .
C21 C 0.8803(5) 0.2402(5) 0.9018(4) 0.0282(10) Uani 1 d . . .
H21 H 0.8796 0.2777 0.9710 0.034 Uiso 1 calc . . R
C22 C 0.9689(5) 0.1388(4) 0.8926(4) 0.0260(10) Uani 1 d . . .
H22 H 1.0264 0.1067 0.9560 0.031 Uiso 1 calc . . R
C23 C 0.9732(4) 0.0837(4) 0.7886(3) 0.0222(9) Uani 1 d . . .
C24 C 0.8864(4) 0.1332(4) 0.6954(3) 0.0208(9) Uani 1 d . . .
C25 C 0.7932(4) 0.2320(4) 0.7047(4) 0.0226(9) Uani 1 d . . .
H25 H 0.7316 0.2618 0.6419 0.027 Uiso 1 calc . . R
C26 C 1.0673(5) -0.0290(5) 0.7809(4) 0.0270(10) Uani 1 d . . .
C27 C 0.8866(4) 0.0867(4) 0.5799(3) 0.0194(9) Uani 1 d . . .
C28 C 0.3225(4) 0.6560(4) 0.6383(4) 0.0254(10) Uani 1 d . . .
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
N1 Zn1 O7 92.76(12) . 2_766
N2 Zn1 N1 78.78(14) . .
N2 Zn1 O7 82.06(12) . 2_766
O1 Zn1 N1 91.86(14) . .
O1 Zn1 N2 105.23(13) . .
O1 Zn1 O7 172.03(11) . 2_766
O1 Zn1 O8 85.79(13) . 1_565
O1 Zn1 O9 95.41(12) . 2_766
O8 Zn1 N1 171.36(12) 1_565 .
O8 Zn1 N2 93.80(13) 1_565 .
O8 Zn1 O7 90.57(11) 1_565 2_766
O8 Zn1 O9 92.86(11) 1_565 2_766
O9 Zn1 N1 95.64(13) 2_766 .
O9 Zn1 N2 158.71(13) 2_766 .
O9 Zn1 O7 77.67(10) 2_766 2_766
O2 Zn2 O3 126.69(16) . 1_655
O2 Zn2 O4 95.30(13) . 1_655
O2 Zn2 O7 110.21(14) . 1_565
O2 Zn2 O9 99.77(13) . 2_766
O2 Zn2 C28 113.89(14) . 1_655
O3 Zn2 O4 60.14(12) 1_655 1_655
O3 Zn2 O9 86.14(12) 1_655 2_766
O3 Zn2 C28 30.24(13) 1_655 1_655
O4 Zn2 C28 29.91(13) 1_655 1_655
O7 Zn2 O3 122.78(14) 1_565 1_655
O7 Zn2 O4 113.23(13) 1_565 1_655
O7 Zn2 O9 90.38(12) 1_565 2_766
O7 Zn2 C28 122.12(14) 1_565 1_655
O9 Zn2 O4 145.46(11) 2_766 1_655
O9 Zn2 C28 116.17(13) 2_766 1_655
C1 N1 Zn1 128.3(3) . .
C1 N1 C5 118.6(4) . .
C5 N1 Zn1 113.0(3) . .
C9 N2 Zn1 113.5(3) . .
C12 N2 Zn1 128.5(3) . .
C12 N2 C9 117.8(4) . .
C13 O1 Zn1 137.9(3) . .
C13 O2 Zn2 132.2(3) . .
C28 O3 Zn2 94.4(3) . 1_455
C28 O4 Zn2 84.9(3) . 1_455
C18 O5 C20 119.5(3) . .
Zn2 O7 Zn1 112.57(13) 1_545 2_766
C26 O7 Zn1 124.4(3) . 2_766
C26 O7 Zn2 122.3(3) . 1_545
C27 O8 Zn1 128.9(3) . 1_545
Zn1 O9 Zn2 118.82(12) 2_766 2_766
C27 O9 Zn1 122.3(2) . 2_766
C27 O9 Zn2 117.1(2) . 2_766
N1 C1 H1 118.8 . .
N1 C1 C2 122.3(5) . .
C2 C1 H1 118.8 . .
C1 C2 H2 120.4 . .
C3 C2 C1 119.1(5) . .
C3 C2 H2 120.4 . .
C2 C3 H3 119.6 . .
C2 C3 C4 120.8(5) . .
C4 C3 H3 119.6 . .
C3 C4 C6 125.0(5) . .
C5 C4 C3 115.9(5) . .
C5 C4 C6 119.1(5) . .
N1 C5 C4 123.2(5) . .
N1 C5 C9 117.2(4) . .
C4 C5 C9 119.5(4) . .
C4 C6 H6 119.3 . .
C7 C6 C4 121.4(5) . .
C7 C6 H6 119.3 . .
C6 C7 H7 119.2 . .
C6 C7 C8 121.5(5) . .
C8 C7 H7 119.2 . .
C9 C8 C7 119.0(5) . .
C9 C8 C10 116.2(5) . .
C10 C8 C7 124.8(5) . .
N2 C9 C5 116.7(4) . .
N2 C9 C8 123.9(4) . .
C8 C9 C5 119.4(4) . .
C8 C10 H10 120.0 . .
C11 C10 C8 119.9(5) . .
C11 C10 H10 120.0 . .
C10 C11 H11 119.6 . .
C10 C11 C12 120.7(5) . .
C12 C11 H11 119.6 . .
N2 C12 C11 121.4(5) . .
N2 C12 H12 119.3 . .
C11 C12 H12 119.3 . .
O1 C13 O2 127.1(4) . .
O1 C13 C14 117.4(4) . .
O2 C13 C14 115.5(4) . .
C15 C14 C13 119.5(4) . .
C19 C14 C13 120.2(4) . .
C19 C14 C15 120.2(4) . .
C14 C15 H15 120.1 . .
C16 C15 C14 119.8(4) . .
C16 C15 H15 120.1 . .
C15 C16 C17 120.1(4) . .
C15 C16 C28 119.4(4) . .
C17 C16 C28 120.4(4) . .
C16 C17 H17 120.1 . .
C18 C17 C16 119.8(4) . .
C18 C17 H17 120.1 . .
O5 C18 C17 117.2(4) . .
O5 C18 C19 122.6(4) . .
C17 C18 C19 120.0(4) . .
C14 C19 C18 119.9(4) . .
C14 C19 H19 120.0 . .
C18 C19 H19 120.0 . .
C21 C20 O5 116.6(4) . .
C21 C20 C25 121.5(4) . .
C25 C20 O5 121.8(4) . .
C20 C21 H21 120.3 . .
C20 C21 C22 119.3(4) . .
C22 C21 H21 120.3 . .
C21 C22 H22 119.6 . .
C21 C22 C23 120.8(4) . .
C23 C22 H22 119.6 . .
C22 C23 C26 119.6(4) . .
C24 C23 C22 118.4(4) . .
C24 C23 C26 121.9(4) . .
C23 C24 C25 120.7(4) . .
C23 C24 C27 123.4(4) . .
C25 C24 C27 115.9(4) . .
C20 C25 C24 119.2(4) . .
C20 C25 H25 120.4 . .
C24 C25 H25 120.4 . .
O6 C26 O7 125.3(4) . .
O6 C26 C23 120.3(4) . .
O7 C26 C23 114.3(4) . .
O8 C27 O9 124.1(4) . .
O8 C27 C24 119.2(3) . .
O9 C27 C24 116.5(3) . .
O3 C28 Zn2 55.3(2) . 1_455
O3 C28 C16 118.9(4) . .
O4 C28 Zn2 65.2(2) . 1_455
O4 C28 O3 120.5(4) . .
O4 C28 C16 120.4(4) . .
C16 C28 Zn2 171.7(3) . 1_455
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 N1 2.106(4) .
Zn1 N2 2.100(4) .
Zn1 O1 2.026(3) .
Zn1 O7 2.459(3) 2_766
Zn1 O8 2.066(3) 1_565
Zn1 O9 2.066(3) 2_766
Zn2 O2 1.942(3) .
Zn2 O3 2.045(3) 1_655
Zn2 O4 2.260(3) 1_655
Zn2 O7 1.968(3) 1_565
Zn2 O9 2.110(3) 2_766
Zn2 C28 2.479(4) 1_655
N1 C1 1.324(6) .
N1 C5 1.348(6) .
N2 C9 1.348(6) .
N2 C12 1.339(6) .
O1 C13 1.240(5) .
O2 C13 1.258(5) .
O3 Zn2 2.045(3) 1_455
O3 C28 1.252(5) .
O4 Zn2 2.260(3) 1_455
O4 C28 1.241(5) .
O5 C18 1.378(5) .
O5 C20 1.395(5) .
O6 C26 1.206(5) .
O7 Zn1 2.459(3) 2_766
O7 Zn2 1.968(3) 1_545
O7 C26 1.302(5) .
O8 Zn1 2.066(3) 1_545
O8 C27 1.231(5) .
O9 Zn1 2.066(3) 2_766
O9 Zn2 2.110(3) 2_766
O9 C27 1.295(5) .
C1 H1 0.9300 .
C1 C2 1.394(7) .
C2 H2 0.9300 .
C2 C3 1.348(8) .
C3 H3 0.9300 .
C3 C4 1.413(7) .
C4 C5 1.400(6) .
C4 C6 1.423(8) .
C5 C9 1.449(6) .
C6 H6 0.9300 .
C6 C7 1.342(8) .
C7 H7 0.9300 .
C7 C8 1.425(7) .
C8 C9 1.402(6) .
C8 C10 1.404(7) .
C10 H10 0.9300 .
C10 C11 1.342(8) .
C11 H11 0.9300 .
C11 C12 1.394(7) .
C12 H12 0.9300 .
C13 C14 1.509(5) .
C14 C15 1.387(6) .
C14 C19 1.376(6) .
C15 H15 0.9300 .
C15 C16 1.385(6) .
C16 C17 1.388(6) .
C16 C28 1.496(6) .
C17 H17 0.9300 .
C17 C18 1.381(6) .
C18 C19 1.395(6) .
C19 H19 0.9300 .
C20 C21 1.370(6) .
C20 C25 1.374(6) .
C21 H21 0.9300 .
C21 C22 1.384(6) .
C22 H22 0.9300 .
C22 C23 1.403(6) .
C23 C24 1.386(6) .
C23 C26 1.503(6) .
C24 C25 1.394(6) .
C24 C27 1.505(6) .
C25 H25 0.9300 .
C28 Zn2 2.479(4) 1_455
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
Zn1 N1 C1 C2 -177.7(3) . . . .
Zn1 N1 C5 C4 176.7(3) . . . .
Zn1 N1 C5 C9 -6.0(5) . . . .
Zn1 N2 C9 C5 7.3(5) . . . .
Zn1 N2 C9 C8 -174.3(3) . . . .
Zn1 N2 C12 C11 172.8(4) . . . .
Zn1 O1 C13 O2 -20.9(8) . . . .
Zn1 O1 C13 C14 158.3(3) . . . .
Zn1 O7 C26 O6 -130.3(5) 2_766 . . .
Zn1 O7 C26 C23 51.7(5) 2_766 . . .
Zn1 O8 C27 O9 30.7(6) 1_545 . . .
Zn1 O8 C27 C24 -155.2(3) 1_545 . . .
Zn1 O9 C27 O8 -117.9(4) 2_766 . . .
Zn1 O9 C27 C24 67.8(4) 2_766 . . .
Zn2 O2 C13 O1 23.4(7) . . . .
Zn2 O2 C13 C14 -155.8(3) . . . .
Zn2 O3 C28 O4 2.1(5) 1_455 . . .
Zn2 O3 C28 C16 -173.0(3) 1_455 . . .
Zn2 O4 C28 O3 -1.9(4) 1_455 . . .
Zn2 O4 C28 C16 173.1(4) 1_455 . . .
Zn2 O7 C26 O6 39.4(6) 1_545 . . .
Zn2 O7 C26 C23 -138.6(3) 1_545 . . .
Zn2 O9 C27 O8 46.5(5) 2_766 . . .
Zn2 O9 C27 C24 -127.8(3) 2_766 . . .
N1 Zn1 N2 C9 -8.0(3) . . . .
N1 Zn1 N2 C12 176.8(4) . . . .
N1 Zn1 O1 C13 117.2(5) . . . .
N1 C1 C2 C3 0.3(8) . . . .
N1 C5 C9 N2 -0.9(6) . . . .
N1 C5 C9 C8 -179.3(4) . . . .
N2 Zn1 N1 C1 -173.1(4) . . . .
N2 Zn1 N1 C5 7.5(3) . . . .
N2 Zn1 O1 C13 -163.9(4) . . . .
O1 Zn1 N1 C1 -67.9(4) . . . .
O1 Zn1 N1 C5 112.6(3) . . . .
O1 Zn1 N2 C9 -96.8(3) . . . .
O1 Zn1 N2 C12 87.9(4) . . . .
O1 C13 C14 C15 -19.6(6) . . . .
O1 C13 C14 C19 164.4(4) . . . .
O2 C13 C14 C15 159.7(4) . . . .
O2 C13 C14 C19 -16.3(6) . . . .
O3 Zn2 O2 C13 -118.5(4) 1_655 . . .
O4 Zn2 O2 C13 -174.9(4) 1_655 . . .
O5 C18 C19 C14 -179.1(4) . . . .
O5 C20 C21 C22 175.7(4) . . . .
O5 C20 C25 C24 -177.9(4) . . . .
O7 Zn1 N1 C1 105.6(4) 2_766 . . .
O7 Zn1 N1 C5 -73.9(3) 2_766 . . .
O7 Zn1 N2 C9 86.4(3) 2_766 . . .
O7 Zn1 N2 C12 -88.8(4) 2_766 . . .
O7 Zn1 O1 C13 -8.2(12) 2_766 . . .
O7 Zn2 O2 C13 68.0(4) 1_565 . . .
O8 Zn1 N1 C1 -141.9(8) 1_565 . . .
O8 Zn1 N1 C5 38.6(10) 1_565 . . .
O8 Zn1 N2 C9 176.5(3) 1_565 . . .
O8 Zn1 N2 C12 1.2(4) 1_565 . . .
O8 Zn1 O1 C13 -71.2(4) 1_565 . . .
O9 Zn1 N1 C1 27.7(4) 2_766 . . .
O9 Zn1 N1 C5 -151.7(3) 2_766 . . .
O9 Zn1 N2 C9 68.6(5) 2_766 . . .
O9 Zn1 N2 C12 -106.7(5) 2_766 . . .
O9 Zn1 O1 C13 21.3(5) 2_766 . . .
O9 Zn2 O2 C13 -26.1(4) 2_766 . . .
C1 N1 C5 C4 -2.8(6) . . . .
C1 N1 C5 C9 174.5(4) . . . .
C1 C2 C3 C4 -1.2(8) . . . .
C2 C3 C4 C5 0.2(7) . . . .
C2 C3 C4 C6 -177.5(5) . . . .
C3 C4 C5 N1 1.8(7) . . . .
C3 C4 C5 C9 -175.3(4) . . . .
C3 C4 C6 C7 176.2(5) . . . .
C4 C5 C9 N2 176.5(4) . . . .
C4 C5 C9 C8 -2.0(6) . . . .
C4 C6 C7 C8 -0.1(8) . . . .
C5 N1 C1 C2 1.7(7) . . . .
C5 C4 C6 C7 -1.5(8) . . . .
C6 C4 C5 N1 179.7(4) . . . .
C6 C4 C5 C9 2.5(7) . . . .
C6 C7 C8 C9 0.6(7) . . . .
C6 C7 C8 C10 -177.4(5) . . . .
C7 C8 C9 N2 -177.9(4) . . . .
C7 C8 C9 C5 0.4(6) . . . .
C7 C8 C10 C11 176.7(5) . . . .
C8 C10 C11 C12 0.6(8) . . . .
C9 N2 C12 C11 -2.3(7) . . . .
C9 C8 C10 C11 -1.3(7) . . . .
C10 C8 C9 N2 0.3(7) . . . .
C10 C8 C9 C5 178.6(4) . . . .
C10 C11 C12 N2 1.3(8) . . . .
C12 N2 C9 C5 -176.8(4) . . . .
C12 N2 C9 C8 1.5(6) . . . .
C13 C14 C15 C16 -173.1(4) . . . .
C13 C14 C19 C18 178.2(4) . . . .
C14 C15 C16 C17 -6.1(6) . . . .
C14 C15 C16 C28 170.3(4) . . . .
C15 C14 C19 C18 2.2(6) . . . .
C15 C16 C17 C18 4.0(6) . . . .
C15 C16 C28 Zn2 -26(3) . . . 1_455
C15 C16 C28 O3 18.1(6) . . . .
C15 C16 C28 O4 -157.0(4) . . . .
C16 C17 C18 O5 176.3(4) . . . .
C16 C17 C18 C19 1.2(6) . . . .
C17 C16 C28 Zn2 151(2) . . . 1_455
C17 C16 C28 O3 -165.5(4) . . . .
C17 C16 C28 O4 19.3(7) . . . .
C17 C18 C19 C14 -4.3(6) . . . .
C18 O5 C20 C21 153.4(4) . . . .
C18 O5 C20 C25 -30.4(6) . . . .
C19 C14 C15 C16 3.0(6) . . . .
C20 O5 C18 C17 144.8(4) . . . .
C20 O5 C18 C19 -40.3(6) . . . .
C20 C21 C22 C23 1.5(7) . . . .
C21 C20 C25 C24 -1.8(6) . . . .
C21 C22 C23 C24 -0.1(6) . . . .
C21 C22 C23 C26 -178.3(4) . . . .
C22 C23 C24 C25 -2.3(6) . . . .
C22 C23 C24 C27 177.1(4) . . . .
C22 C23 C26 O6 21.9(7) . . . .
C22 C23 C26 O7 -159.9(4) . . . .
C23 C24 C25 C20 3.3(6) . . . .
C23 C24 C27 O8 97.4(5) . . . .
C23 C24 C27 O9 -88.0(5) . . . .
C24 C23 C26 O6 -156.2(5) . . . .
C24 C23 C26 O7 22.0(6) . . . .
C25 C20 C21 C22 -0.5(7) . . . .
C25 C24 C27 O8 -83.1(5) . . . .
C25 C24 C27 O9 91.4(4) . . . .
C26 C23 C24 C25 175.8(4) . . . .
C26 C23 C24 C27 -4.7(6) . . . .
C27 C24 C25 C20 -176.2(4) . . . .
C28 Zn2 O2 C13 -150.5(4) 1_655 . . .
C28 C16 C17 C18 -172.4(4) . . . .
