#------------------------------------------------------------------------------
#$Date: 2016-03-24 03:07:40 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179614 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/78/4507857.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_4507857
loop_
_publ_author_name
'Sahu, Jhasaketan'
'Ahmad, Musheer'
'Bharadwaj, Parimal K.'
_publ_section_title
;
 Structural Diversity and Luminescence Properties of Coordination Polymers
 Built With a Rigid Linear Dicarboxylate and Zn(II)/Pb(II) Ion
;
_journal_issue                   6
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              2618
_journal_paper_doi               10.1021/cg400376g
_journal_volume                  13
_journal_year                    2013
_chemical_formula_moiety         'C30 H26 N2 O4 Zn'
_chemical_formula_sum            'C30 H26 N2 O4 Zn'
_chemical_formula_weight         543.90
_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                93.466(5)
_cell_angle_beta                 96.367(5)
_cell_angle_gamma                93.175(5)
_cell_formula_units_Z            2
_cell_length_a                   9.728(4)
_cell_length_b                   11.672(5)
_cell_length_c                   14.554(5)
_cell_measurement_reflns_used    999
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.49
_cell_measurement_theta_min      1.75
_cell_volume                     1636.1(11)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.972
_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  0.0247
_diffrn_reflns_av_sigmaI/netI    0.0533
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            8714
_diffrn_reflns_theta_full        25.49
_diffrn_reflns_theta_max         25.49
_diffrn_reflns_theta_min         1.75
_exptl_absorpt_coefficient_mu    0.781
_exptl_absorpt_correction_T_max  0.8787
_exptl_absorpt_correction_T_min  0.8594
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.104
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             564
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.17
_platon_squeeze_details          ' ?'
_refine_diff_density_max         0.664
_refine_diff_density_min         -0.573
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     334
_refine_ls_number_reflns         5918
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.076
_refine_ls_R_factor_all          0.0617
_refine_ls_R_factor_gt           0.0523
_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)+(0.0917P)²+0.6688P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1407
_refine_ls_wR_factor_ref         0.1563
_reflns_number_gt                4953
_reflns_number_total             5918
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg400376g_si_002.cif
_cod_data_source_block           Complex2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.3.1 from 2005-06-27.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        1636.1(12)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4507857
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
Zn1 Zn 0.86462(4) 0.03767(3) 0.02663(2) 0.02325(15) Uani 1 1 d .
O1 O 0.7958(2) -0.0905(2) -0.07018(16) 0.0298(5) Uani 1 1 d .
O2 O 0.9999(2) 0.1499(2) 0.10810(17) 0.0327(6) Uani 1 1 d .
O3 O 0.8266(3) 0.1582(2) -0.06932(17) 0.0370(6) Uani 1 1 d .
O4 O 0.9708(3) -0.0920(2) 0.09606(18) 0.0405(7) Uani 1 1 d .
N1 N 0.7094(3) 0.0304(3) 0.1098(2) 0.0335(7) Uani 1 1 d .
N2 N 0.4781(3) 0.0188(3) 0.4031(2) 0.0404(8) Uani 1 1 d .
C1 C 0.8682(4) -0.1511(3) -0.1172(2) 0.0289(8) Uani 1 1 d .
C2 C 0.7942(4) -0.2306(3) -0.1931(2) 0.0305(8) Uani 1 1 d .
C3 C 0.8609(4) -0.2732(3) -0.2663(2) 0.0340(8) Uani 1 1 d .
H3 H 0.9556 -0.2565 -0.2662 0.041 Uiso 1 1 calc R
C4 C 0.7885(4) -0.3398(3) -0.3390(3) 0.0366(9) Uani 1 1 d .
H4 H 0.8346 -0.3653 -0.3883 0.044 Uiso 1 1 calc R
C5 C 0.6463(4) -0.3701(3) -0.3404(3) 0.0312(8) Uani 1 1 d .
C6 C 0.5802(4) -0.3284(3) -0.2656(3) 0.0379(9) Uani 1 1 d .
H6 H 0.4864 -0.3476 -0.2643 0.045 Uiso 1 1 calc R
C7 C 0.6517(4) -0.2593(3) -0.1939(3) 0.0352(9) Uani 1 1 d .
H7 H 0.6053 -0.2314 -0.1455 0.042 Uiso 1 1 calc R
C8 C 0.5708(4) -0.4384(3) -0.4199(3) 0.0339(8) Uani 1 1 d .
C9 C 0.5861(4) -0.4063(3) -0.5091(3) 0.0343(9) Uani 1 1 d .
H9 H 0.6454 -0.3425 -0.5152 0.041 Uiso 1 1 calc R
C10 C 0.4816(4) -0.5365(3) -0.4099(3) 0.0338(8) Uani 1 1 d .
C11 C 0.4610(4) -0.5823(3) -0.3177(3) 0.0379(9) Uani 1 1 d .
H11A H 0.5142 -0.5341 -0.2691 0.057 Uiso 1 1 calc R
H11B H 0.4910 -0.6592 -0.3161 0.057 Uiso 1 1 calc R
H11C H 0.3646 -0.5828 -0.3089 0.057 Uiso 1 1 calc R
C12 C 0.9308(4) 0.1554(3) -0.1129(3) 0.0368(9) Uani 1 1 d .
C13 C 0.9432(4) 0.2325(3) -0.1910(3) 0.0398(9) Uani 1 1 d .
C14 C 1.0650(4) 0.2431(4) -0.2299(3) 0.0525(12) Uani 1 1 d .
H14 H 1.1407 0.2047 -0.2058 0.063 Uiso 1 1 calc R
C15 C 1.0774(4) 0.3099(4) -0.3048(3) 0.0543(12) Uani 1 1 d .
H15 H 1.1623 0.3189 -0.3280 0.065 Uiso 1 1 calc R
C16 C 0.9643(4) 0.3631(4) -0.3449(3) 0.0396(9) Uani 1 1 d .
C17 C 0.8425(4) 0.3544(4) -0.3043(3) 0.0427(10) Uani 1 1 d .
H17 H 0.7665 0.3922 -0.3287 0.051 Uiso 1 1 calc R
C18 C 0.8312(4) 0.2904(4) -0.2279(3) 0.0422(10) Uani 1 1 d .
H18 H 0.7485 0.2863 -0.2014 0.051 Uiso 1 1 calc R
C19 C 0.9801(4) 0.4315(3) -0.4262(3) 0.0337(8) Uani 1 1 d .
C20 C 1.0861(4) 0.5186(3) -0.4185(3) 0.0327(8) Uani 1 1 d .
H20 H 1.1440 0.5306 -0.3631 0.039 Uiso 1 1 calc R
C21 C 0.8916(4) 0.4123(3) -0.5099(3) 0.0340(8) Uani 1 1 d .
C22 C 0.7749(4) 0.3188(3) -0.5258(3) 0.0416(10) Uani 1 1 d .
H22A H 0.7715 0.2780 -0.4707 0.062 Uiso 1 1 calc R
H22B H 0.7910 0.2663 -0.5762 0.062 Uiso 1 1 calc R
H22C H 0.6884 0.3531 -0.5404 0.062 Uiso 1 1 calc R
C23 C 0.6026(5) -0.0450(4) 0.0943(3) 0.0574(13) Uani 1 1 d .
H23 H 0.5913 -0.0904 0.0390 0.069 Uiso 1 1 calc R
C24 C 0.5055(5) -0.0603(5) 0.1565(3) 0.0600(14) Uani 1 1 d .
H24 H 0.4304 -0.1136 0.1416 0.072 Uiso 1 1 calc R
C25 C 0.5204(4) 0.0023(4) 0.2388(3) 0.0391(9) Uani 1 1 d .
C26 C 0.6303(6) 0.0807(5) 0.2548(3) 0.0713(17) Uani 1 1 d .
H26 H 0.6440 0.1262 0.3101 0.086 Uiso 1 1 calc R
C27 C 0.7215(6) 0.0933(5) 0.1901(3) 0.0708(17) Uani 1 1 d .
H27 H 0.7951 0.1483 0.2028 0.085 Uiso 1 1 calc R
C28 C 0.4154(4) -0.0069(4) 0.3084(3) 0.0451(10) Uani 1 1 d .
H28A H 0.3438 0.0460 0.2942 0.054 Uiso 1 1 calc R
H28B H 0.3719 -0.0842 0.3025 0.054 Uiso 1 1 calc R
C29 C 0.5521(5) -0.0793(4) 0.4374(3) 0.0444(10) Uani 1 1 d .
H29A H 0.6199 -0.1000 0.3962 0.053 Uiso 1 1 calc R
H29B H 0.4870 -0.1451 0.4385 0.053 Uiso 1 1 calc R
C30 C 0.3754(4) 0.0483(4) 0.4656(3) 0.0449(10) Uani 1 1 d .
H30A H 0.3089 -0.0165 0.4669 0.054 Uiso 1 1 calc R
H30B H 0.3256 0.1129 0.4436 0.054 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'
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
O1 Zn1 O2 159.06(10) . .
O1 Zn1 N1 100.35(11) . .
O2 Zn1 N1 98.53(11) . .
O1 Zn1 O3 90.50(10) . .
O2 Zn1 O3 91.54(11) . .
N1 Zn1 O3 109.91(12) . .
O1 Zn1 O4 84.95(10) . .
O2 Zn1 O4 85.29(11) . .
N1 Zn1 O4 92.43(12) . .
O3 Zn1 O4 157.66(11) . .
O1 Zn1 Zn1 80.10(7) . 2_755
O2 Zn1 Zn1 79.00(8) . 2_755
N1 Zn1 Zn1 150.89(9) . 2_755
O3 Zn1 Zn1 99.18(8) . 2_755
O4 Zn1 Zn1 58.50(8) . 2_755
C1 O1 Zn1 126.9(2) . .
C1 O2 Zn1 127.3(2) 2_755 .
C12 O3 Zn1 102.7(2) . .
C12 O4 Zn1 155.0(3) 2_755 .
C23 N1 C27 116.2(4) . .
C23 N1 Zn1 122.9(3) . .
C27 N1 Zn1 120.3(3) . .
C28 N2 C29 110.7(3) . .
C28 N2 C30 112.1(3) . .
C29 N2 C30 109.0(3) . .
O1 C1 O2 126.4(3) . 2_755
O1 C1 C2 117.4(3) . .
O2 C1 C2 116.2(3) 2_755 .
C3 C2 C7 118.5(3) . .
C3 C2 C1 121.6(3) . .
C7 C2 C1 119.8(3) . .
C4 C3 C2 120.7(3) . .
C4 C3 H3 119.7 . .
C2 C3 H3 119.7 . .
C3 C4 C5 121.5(3) . .
C3 C4 H4 119.3 . .
C5 C4 H4 119.3 . .
C6 C5 C4 117.5(3) . .
C6 C5 C8 122.1(3) . .
C4 C5 C8 120.3(3) . .
C7 C6 C5 121.1(3) . .
C7 C6 H6 119.4 . .
C5 C6 H6 119.4 . .
C6 C7 C2 120.7(3) . .
C6 C7 H7 119.6 . .
C2 C7 H7 119.6 . .
C9 C8 C10 118.3(3) . .
C9 C8 C5 119.0(3) . .
C10 C8 C5 122.7(3) . .
C8 C9 C10 124.4(4) . 2_644
C8 C9 H9 117.8 . .
C10 C9 H9 117.8 2_644 .
C9 C10 C8 117.4(4) 2_644 .
C9 C10 C11 119.4(3) 2_644 .
C8 C10 C11 123.2(3) . .
C10 C11 H11A 109.5 . .
C10 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C10 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
O3 C12 O4 124.6(4) . 2_755
O3 C12 C13 119.6(3) . .
O4 C12 C13 115.8(4) 2_755 .
C14 C13 C18 118.6(4) . .
C14 C13 C12 120.1(4) . .
C18 C13 C12 121.3(4) . .
C13 C14 C15 121.3(4) . .
C13 C14 H14 119.4 . .
C15 C14 H14 119.4 . .
C16 C15 C14 120.4(4) . .
C16 C15 H15 119.8 . .
C14 C15 H15 119.8 . .
C15 C16 C17 118.1(4) . .
C15 C16 C19 119.1(4) . .
C17 C16 C19 122.7(3) . .
C16 C17 C18 121.4(4) . .
C16 C17 H17 119.3 . .
C18 C17 H17 119.3 . .
C13 C18 C17 120.1(4) . .
C13 C18 H18 119.9 . .
C17 C18 H18 119.9 . .
C20 C19 C21 119.3(3) . .
C20 C19 C16 118.3(3) . .
C21 C19 C16 122.4(3) . .
C21 C20 C19 122.7(3) 2_764 .
C21 C20 H20 118.7 2_764 .
C19 C20 H20 118.7 . .
C20 C21 C19 118.0(3) 2_764 .
C20 C21 C22 118.6(3) 2_764 .
C19 C21 C22 123.4(3) . .
C21 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C21 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
N1 C23 C24 123.4(4) . .
N1 C23 H23 118.3 . .
C24 C23 H23 118.3 . .
C25 C24 C23 119.9(4) . .
C25 C24 H24 120.0 . .
C23 C24 H24 120.0 . .
C24 C25 C26 116.8(4) . .
C24 C25 C28 122.6(4) . .
C26 C25 C28 120.4(4) . .
C25 C26 C27 120.6(4) . .
C25 C26 H26 119.7 . .
C27 C26 H26 119.7 . .
N1 C27 C26 123.0(4) . .
N1 C27 H27 118.5 . .
C26 C27 H27 118.5 . .
N2 C28 C25 112.3(3) . .
N2 C28 H28A 109.1 . .
C25 C28 H28A 109.1 . .
N2 C28 H28B 109.1 . .
C25 C28 H28B 109.1 . .
H28A C28 H28B 107.9 . .
N2 C29 C30 110.0(3) . 2_656
N2 C29 H29A 109.7 . .
C30 C29 H29A 109.7 2_656 .
N2 C29 H29B 109.7 . .
C30 C29 H29B 109.7 2_656 .
H29A C29 H29B 108.2 . .
N2 C30 C29 109.6(3) . 2_656
N2 C30 H30A 109.8 . .
C29 C30 H30A 109.8 2_656 .
N2 C30 H30B 109.8 . .
C29 C30 H30B 109.8 2_656 .
H30A C30 H30B 108.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O1 2.024(2) .
Zn1 O2 2.032(2) .
Zn1 N1 2.039(3) .
Zn1 O3 2.061(3) .
Zn1 O4 2.123(3) .
Zn1 Zn1 2.9899(15) 2_755
O1 C1 1.251(4) .
O2 C1 1.275(4) 2_755
O3 C12 1.255(5) .
O4 C12 1.254(5) 2_755
N1 C23 1.315(5) .
N1 C27 1.331(5) .
N2 C28 1.451(5) .
N2 C29 1.470(5) .
N2 C30 1.466(5) .
C1 O2 1.275(4) 2_755
C1 C2 1.492(5) .
C2 C3 1.389(5) .
C2 C7 1.406(5) .
C3 C4 1.377(5) .
C3 H3 0.9300 .
C4 C5 1.406(5) .
C4 H4 0.9300 .
C5 C6 1.400(5) .
C5 C8 1.466(5) .
C6 C7 1.378(5) .
C6 H6 0.9300 .
C7 H7 0.9300 .
C8 C9 1.395(6) .
C8 C10 1.422(5) .
C9 C10 1.397(5) 2_644
C9 H9 0.9300 .
C10 C9 1.397(5) 2_644
C10 C11 1.504(5) .
C11 H11A 0.9600 .
C11 H11B 0.9600 .
C11 H11C 0.9600 .
C12 O4 1.254(5) 2_755
C12 C13 1.502(5) .
C13 C14 1.372(6) .
C13 C18 1.388(6) .
C14 C15 1.390(6) .
C14 H14 0.9300 .
C15 C16 1.383(6) .
C15 H15 0.9300 .
C16 C17 1.383(5) .
C16 C19 1.485(5) .
C17 C18 1.387(5) .
C17 H17 0.9300 .
C18 H18 0.9300 .
C19 C20 1.398(5) .
C19 C21 1.410(5) .
C20 C21 1.384(5) 2_764
C20 H20 0.9300 .
C21 C20 1.384(5) 2_764
C21 C22 1.518(5) .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
C23 C24 1.391(6) .
C23 H23 0.9300 .
C24 C25 1.354(6) .
C24 H24 0.9300 .
C25 C26 1.358(6) .
C25 C28 1.519(5) .
C26 C27 1.373(6) .
C26 H26 0.9300 .
C27 H27 0.9300 .
C28 H28A 0.9700 .
C28 H28B 0.9700 .
C29 C30 1.519(6) 2_656
C29 H29A 0.9700 .
C29 H29B 0.9700 .
C30 C29 1.519(6) 2_656
C30 H30A 0.9700 .
C30 H30B 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_4
O2 Zn1 O1 C1 2.1(5) . .
N1 Zn1 O1 C1 -152.0(3) . .
O3 Zn1 O1 C1 97.7(3) . .
O4 Zn1 O1 C1 -60.4(3) . .
Zn1 Zn1 O1 C1 -1.5(3) 2_755 .
O1 Zn1 O2 C1 -8.5(5) . 2_755
N1 Zn1 O2 C1 145.7(3) . 2_755
O3 Zn1 O2 C1 -103.9(3) . 2_755
O4 Zn1 O2 C1 54.0(3) . 2_755
Zn1 Zn1 O2 C1 -4.8(3) 2_755 2_755
O1 Zn1 O3 C12 -80.6(2) . .
O2 Zn1 O3 C12 78.6(2) . .
N1 Zn1 O3 C12 178.2(2) . .
O4 Zn1 O3 C12 -2.8(4) . .
Zn1 Zn1 O3 C12 -0.6(2) 2_755 .
O1 Zn1 O4 C12 84.8(6) . 2_755
O2 Zn1 O4 C12 -76.6(6) . 2_755
N1 Zn1 O4 C12 -175.0(6) . 2_755
O3 Zn1 O4 C12 5.9(8) . 2_755
Zn1 Zn1 O4 C12 3.4(6) 2_755 2_755
O1 Zn1 N1 C23 1.0(4) . .
O2 Zn1 N1 C23 -169.9(4) . .
O3 Zn1 N1 C23 95.4(4) . .
O4 Zn1 N1 C23 -84.3(4) . .
Zn1 Zn1 N1 C23 -87.2(4) 2_755 .
O1 Zn1 N1 C27 172.2(4) . .
O2 Zn1 N1 C27 1.3(4) . .
O3 Zn1 N1 C27 -93.5(4) . .
O4 Zn1 N1 C27 86.9(4) . .
Zn1 Zn1 N1 C27 83.9(4) 2_755 .
Zn1 O1 C1 O2 5.9(5) . 2_755
Zn1 O1 C1 C2 -172.4(2) . .
O1 C1 C2 C3 159.2(4) . .
O2 C1 C2 C3 -19.2(5) 2_755 .
O1 C1 C2 C7 -17.5(5) . .
O2 C1 C2 C7 164.0(3) 2_755 .
C7 C2 C3 C4 1.5(6) . .
C1 C2 C3 C4 -175.3(3) . .
C2 C3 C4 C5 -2.1(6) . .
C3 C4 C5 C6 1.0(6) . .
C3 C4 C5 C8 178.3(3) . .
C4 C5 C6 C7 0.6(6) . .
C8 C5 C6 C7 -176.6(4) . .
C5 C6 C7 C2 -1.2(6) . .
C3 C2 C7 C6 0.2(6) . .
C1 C2 C7 C6 177.0(3) . .
C6 C5 C8 C9 129.0(4) . .
C4 C5 C8 C9 -48.1(5) . .
C6 C5 C8 C10 -50.8(5) . .
C4 C5 C8 C10 132.1(4) . .
C10 C8 C9 C10 0.7(6) . 2_644
C5 C8 C9 C10 -179.1(3) . 2_644
C9 C8 C10 C9 -0.6(6) . 2_644
C5 C8 C10 C9 179.2(3) . 2_644
C9 C8 C10 C11 177.5(3) . .
C5 C8 C10 C11 -2.7(5) . .
Zn1 O3 C12 O4 -0.6(4) . 2_755
Zn1 O3 C12 C13 179.9(3) . .
O3 C12 C13 C14 170.2(4) . .
O4 C12 C13 C14 -9.4(6) 2_755 .
O3 C12 C13 C18 -12.6(6) . .
O4 C12 C13 C18 167.8(4) 2_755 .
C18 C13 C14 C15 0.0(7) . .
C12 C13 C14 C15 177.2(4) . .
C13 C14 C15 C16 -3.2(8) . .
C14 C15 C16 C17 4.5(7) . .
C14 C15 C16 C19 -178.5(4) . .
C15 C16 C17 C18 -2.6(7) . .
C19 C16 C17 C18 -179.6(4) . .
C14 C13 C18 C17 1.9(7) . .
C12 C13 C18 C17 -175.3(4) . .
C16 C17 C18 C13 -0.6(7) . .
C15 C16 C19 C20 -53.9(6) . .
C17 C16 C19 C20 123.0(4) . .
C15 C16 C19 C21 126.6(5) . .
C17 C16 C19 C21 -56.4(6) . .
C21 C19 C20 C21 0.1(6) . 2_764
C16 C19 C20 C21 -179.4(4) . 2_764
C20 C19 C21 C20 -0.1(6) . 2_764
C16 C19 C21 C20 179.3(4) . 2_764
C20 C19 C21 C22 179.1(3) . .
C16 C19 C21 C22 -1.5(6) . .
C27 N1 C23 C24 0.2(8) . .
Zn1 N1 C23 C24 171.6(4) . .
N1 C23 C24 C25 -1.6(9) . .
C23 C24 C25 C26 1.8(8) . .
C23 C24 C25 C28 177.6(5) . .
C24 C25 C26 C27 -0.7(9) . .
C28 C25 C26 C27 -176.7(5) . .
C23 N1 C27 C26 1.0(9) . .
Zn1 N1 C27 C26 -170.7(5) . .
C25 C26 C27 N1 -0.7(10) . .
C29 N2 C28 C25 -77.5(4) . .
C30 N2 C28 C25 160.6(4) . .
C24 C25 C28 N2 151.3(4) . .
C26 C25 C28 N2 -33.0(6) . .
C28 N2 C29 C30 176.5(3) . 2_656
C30 N2 C29 C30 -59.8(5) . 2_656
C28 N2 C30 C29 -177.5(4) . 2_656
C29 N2 C30 C29 59.6(5) . 2_656
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
1 0.000 0.000 0.500 149.2 31.6
2 -0.019 0.500 0.000 347.6 64.8
