#------------------------------------------------------------------------------
#$Date: 2019-11-07 22:14:06 +0200 (Thu, 07 Nov 2019) $
#$Revision: 223735 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/24/7232446.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_7232446
loop_
_publ_author_name
'Mo, Zong-Wen'
'Huang, Ning-Yu'
'Wang, Chao'
'Ye, Zi-Ming'
'Zhou, Hao-Long'
'Zhou, Dong-Dong'
'Lin, Rui-Biao'
'Chen, Xiao-Ming'
'Zhang, Jie-Peng'
_publ_section_title
;
 Single-side and double-side swing behaviours of a flexible porous
 coordination polymer with a rhombic-lattice structure
;
_journal_issue                   12
_journal_name_full               CrystEngComm
_journal_page_first              1872
_journal_paper_doi               10.1039/C9CE00227H
_journal_volume                  21
_journal_year                    2019
_chemical_formula_moiety         'C24 H16 N6 O4 Zn2'
_chemical_formula_sum            'C24 H16 N6 O4 Zn2'
_chemical_formula_weight         583.17
_space_group_crystal_system      orthorhombic
_space_group_IT_number           56
_space_group_name_Hall           '-P 2ab 2ac'
_space_group_name_H-M_alt        'P c c n'
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2018-12-04
_audit_creation_method
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_audit_update_record
;
2018-12-04 deposited with the CCDC.    2019-02-22 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   14.8436(5)
_cell_length_b                   27.5747(8)
_cell_length_c                   16.3246(5)
_cell_measurement_reflns_used    2339
_cell_measurement_temperature    200.00(14)
_cell_measurement_theta_max      61.9860
_cell_measurement_theta_min      4.3170
_cell_volume                     6681.8(4)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      200.00(14)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.0855
_diffrn_detector_type            Sapphire3
_diffrn_measured_fraction_theta_full 0.863
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_details
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -96.00  -57.00   1.0000   35.0000
omega____ theta____ kappa____ phi______ frames
    -      -34.3979 -178.0000  -60.0000 39

#__ type_ start__ end____ width___ exp.time_
  2 omega  -35.00   74.00   1.0000   35.0000
omega____ theta____ kappa____ phi______ frames
    -       34.3979  -19.0000   60.0000 109

#__ type_ start__ end____ width___ exp.time_
  3 omega   85.00  121.00   1.0000  100.0000
omega____ theta____ kappa____ phi______ frames
    -       90.5000  -77.0000 -180.0000 36

#__ type_ start__ end____ width___ exp.time_
  4 omega   33.00   59.00   1.0000  100.0000
omega____ theta____ kappa____ phi______ frames
    -       90.5000  -77.0000 -180.0000 26

#__ type_ start__ end____ width___ exp.time_
  5 omega   70.00  139.00   1.0000  100.0000
omega____ theta____ kappa____ phi______ frames
    -       90.5000   61.0000 -120.0000 69

#__ type_ start__ end____ width___ exp.time_
  6 omega   22.00   95.00   1.0000  100.0000
omega____ theta____ kappa____ phi______ frames
    -       90.5000  -61.0000  -90.0000 73

#__ type_ start__ end____ width___ exp.time_
  7 omega   79.00  159.00   1.0000  100.0000
omega____ theta____ kappa____ phi______ frames
    -       90.5000  111.0000  -30.0000 80
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0661036000
_diffrn_orient_matrix_UB_12      0.0001423000
_diffrn_orient_matrix_UB_13      0.0726348000
_diffrn_orient_matrix_UB_21      0.0015452000
_diffrn_orient_matrix_UB_22      0.0558979000
_diffrn_orient_matrix_UB_23      -0.0015208000
_diffrn_orient_matrix_UB_31      -0.0799922000
_diffrn_orient_matrix_UB_32      0.0011582000
_diffrn_orient_matrix_UB_33      0.0601272000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0474
_diffrn_reflns_av_unetI/netI     0.0628
_diffrn_reflns_Laue_measured_fraction_full 0.863
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            12381
_diffrn_reflns_point_group_measured_fraction_full 0.863
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         62.501
_diffrn_reflns_theta_min         4.333
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_type              'Enhance Ultra (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    2.036
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.99073
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_density_diffrn    1.159
_exptl_crystal_F_000             2352
_platon_squeeze_details
;
;
_refine_diff_density_max         1.738
_refine_diff_density_min         -0.920
_refine_diff_density_rms         0.103
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     301
_refine_ls_number_reflns         5231
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.085
_refine_ls_R_factor_all          0.0851
_refine_ls_R_factor_gt           0.0656
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[σ²(Fo²)+(0.1033P)²+3.1061P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1785
_refine_ls_wR_factor_ref         0.1919
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3778
_reflns_number_total             5231
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9ce00227h2.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 7232446--7232448.cif.'
_cod_database_code               7232446
_shelxl_version_number           2013-2
_chemical_oxdiff_formula         'Zn1 N3 O4 C15 H10'
_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.
;
_reflns_odcompleteness_completeness 87.61
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(O2) = Uanis(C17) = Uanis(O1)
Uanis(O4) = Uanis(C18) = Uanis(O3)
3.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C3(H3), C4(H4), C5(H5), C7(H7), C8(H8), C9(H9), C11(H11), C12(H12),
 C13(H13), C15(H15), C16(H16), C20(H20), C21(H21), C23(H23), C24(H24)
;
_ins_header
;
TITL abs in Pccn 
REM Pccn (#56, found as Pbnb in a-cb setting)
CELL 1.54184  14.843648  27.574693  16.324617  90.0000  90.0000  90.0000
ZERR    4.00   0.000504   0.000769   0.000490   0.0000   0.0000   0.0000
LATT  1
SYMM -x+1/2,-y+1/2, z 
SYMM -x, y+1/2,-z+1/2 
SYMM  x+1/2,-y,-z+1/2 
SFAC C H N O Zn
UNIT 60.00 40.00 12.00 16.00 4.00
TREF
HKLF 4
END
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y+1/2, z'
'-x, y+1/2, -z+1/2'
'x+1/2, -y, -z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'x, -y-1/2, z-1/2'
'-x-1/2, y, 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
Zn1 Zn 0.45340(4) 0.39700(2) 0.17137(4) 0.0266(2) Uani 1 1 d .
Zn2 Zn 0.54651(4) 0.29141(2) 0.28463(4) 0.0269(2) Uani 1 1 d .
O1 O 0.4901(5) 0.4676(2) 0.1604(4) 0.0863(12) Uani 1 1 d .
O2 O 0.3494(5) 0.4709(2) 0.2045(4) 0.0863(12) Uani 1 1 d .
O3 O 0.5002(5) 0.72265(18) 0.1657(4) 0.0852(14) Uani 1 1 d .
O4 O 0.3942(5) 0.72056(18) 0.2549(4) 0.0852(14) Uani 1 1 d .
N4 N 0.4040(3) 0.36840(15) 0.2752(3) 0.0317(10) Uani 1 1 d .
N5 N 0.4270(3) 0.32391(15) 0.3057(3) 0.0305(10) Uani 1 1 d .
N6 N 0.1278(3) 0.38203(16) 0.5742(3) 0.0323(10) Uani 1 1 d .
N1 N 0.5671(3) 0.36264(16) 0.1450(3) 0.0330(10) Uani 1 1 d .
N2 N 0.6049(3) 0.32597(15) 0.1899(3) 0.0322(10) Uani 1 1 d .
N3 N 0.8740(3) 0.30920(17) -0.1165(3) 0.0352(11) Uani 1 1 d .
C1 C 0.3754(3) 0.3153(2) 0.3708(3) 0.0313(12) Uani 1 1 d .
H1 H 0.3775 0.2875 0.4030 0.038 Uiso 1 1 calc R
C2 C 0.3166(4) 0.35526(19) 0.3834(3) 0.0319(12) Uani 1 1 d .
C3 C 0.3392(4) 0.3866(2) 0.3205(3) 0.0333(12) Uani 1 1 d .
H3 H 0.3121 0.4165 0.3115 0.040 Uiso 1 1 calc R
C4 C 0.1636(4) 0.4174(2) 0.5294(4) 0.0382(14) Uani 1 1 d .
H4 H 0.1467 0.4492 0.5409 0.046 Uiso 1 1 calc R
C5 C 0.2245(4) 0.4096(2) 0.4667(4) 0.0411(14) Uani 1 1 d .
H5 H 0.2476 0.4357 0.4374 0.049 Uiso 1 1 calc R
C6 C 0.2507(4) 0.36322(19) 0.4479(3) 0.0307(12) Uani 1 1 d .
C7 C 0.2104(4) 0.3254(2) 0.4926(4) 0.0388(14) Uani 1 1 d .
H7 H 0.2240 0.2932 0.4807 0.047 Uiso 1 1 calc R
C8 C 0.1506(4) 0.33653(19) 0.5541(4) 0.0370(13) Uani 1 1 d .
H8 H 0.1247 0.3112 0.5833 0.044 Uiso 1 1 calc R
C9 C 0.6787(4) 0.3116(2) 0.1503(3) 0.0338(13) Uani 1 1 d .
H9 H 0.7179 0.2878 0.1689 0.041 Uiso 1 1 calc R
C10 C 0.6892(4) 0.33703(19) 0.0777(3) 0.0307(12) Uani 1 1 d .
C11 C 0.6163(4) 0.3688(2) 0.0782(4) 0.0441(15) Uani 1 1 d .
H11 H 0.6039 0.3913 0.0373 0.053 Uiso 1 1 calc R
C12 C 0.8005(4) 0.3374(2) -0.1269(3) 0.0406(14) Uani 1 1 d .
H12 H 0.7893 0.3502 -0.1786 0.049 Uiso 1 1 calc R
C13 C 0.7425(4) 0.3478(2) -0.0655(4) 0.0448(15) Uani 1 1 d .
H13 H 0.6929 0.3676 -0.0759 0.054 Uiso 1 1 calc R
C14 C 0.7560(4) 0.32926(19) 0.0140(3) 0.0317(12) Uani 1 1 d .
C15 C 0.8337(4) 0.3013(2) 0.0243(3) 0.0366(13) Uani 1 1 d .
H15 H 0.8478 0.2889 0.0757 0.044 Uiso 1 1 calc R
C16 C 0.8898(4) 0.2919(2) -0.0419(4) 0.0380(14) Uani 1 1 d .
H16 H 0.9405 0.2727 -0.0336 0.046 Uiso 1 1 calc R
C17 C 0.4253(8) 0.4890(4) 0.1864(7) 0.0863(12) Uani 1 1 d .
C18 C 0.4458(7) 0.6988(3) 0.2081(7) 0.0852(14) Uani 1 1 d .
C19 C 0.4357(5) 0.5454(2) 0.1885(4) 0.0516(18) Uani 1 1 d .
C20 C 0.4920(5) 0.5719(2) 0.1377(5) 0.0542(18) Uani 1 1 d .
H20 H 0.5277 0.5560 0.0995 0.065 Uiso 1 1 calc R
C21 C 0.4953(4) 0.6218(2) 0.1436(4) 0.0490(16) Uani 1 1 d .
H21 H 0.5324 0.6394 0.1087 0.059 Uiso 1 1 calc R
C22 C 0.4435(4) 0.6455(2) 0.2014(4) 0.0410(14) Uani 1 1 d .
C23 C 0.3896(5) 0.6177(2) 0.2522(4) 0.0484(16) Uani 1 1 d .
H23 H 0.3562 0.6330 0.2928 0.058 Uiso 1 1 calc R
C24 C 0.3842(6) 0.5693(2) 0.2446(4) 0.0571(19) Uani 1 1 d .
H24 H 0.3450 0.5520 0.2779 0.069 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
O1 Zn1 N6 106.6(2) . 8_655
N4 Zn1 O1 123.3(2) . .
N4 Zn1 N6 111.24(19) . 8_655
N1 Zn1 O1 102.2(3) . .
N1 Zn1 N4 107.84(18) . .
N1 Zn1 N6 103.76(19) . 8_655
O3 Zn2 O4 58.1(3) 3_645 3_645
O3 Zn2 C18 29.2(3) 3_645 3_645
O4 Zn2 C18 28.9(3) 3_645 3_645
N5 Zn2 O3 92.5(2) . 3_645
N5 Zn2 O4 141.5(2) . 3_645
N5 Zn2 N3 105.34(19) . 8_756
N5 Zn2 C18 118.4(3) . 3_645
N2 Zn2 O3 146.8(2) . 3_645
N2 Zn2 O4 91.3(2) . 3_645
N2 Zn2 N5 107.42(18) . .
N2 Zn2 N3 104.04(19) . 8_756
N2 Zn2 C18 119.3(3) . 3_645
N3 Zn2 O3 95.6(2) 8_756 3_645
N3 Zn2 O4 102.1(2) 8_756 3_645
N3 Zn2 C18 100.1(3) 8_756 3_645
C17 O1 Zn1 102.9(7) . .
C18 O3 Zn2 92.6(6) . 3_655
C18 O4 Zn2 90.1(6) . 3_655
N5 N4 Zn1 124.6(3) . .
C3 N4 Zn1 126.4(4) . .
C3 N4 N5 108.7(4) . .
N4 N5 Zn2 123.8(3) . .
C1 N5 Zn2 124.3(4) . .
C1 N5 N4 107.8(4) . .
C4 N6 Zn1 121.1(4) . 8_656
C4 N6 C8 116.8(5) . .
C8 N6 Zn1 122.1(4) . 8_656
N2 N1 Zn1 125.9(3) . .
C11 N1 Zn1 126.0(4) . .
C11 N1 N2 108.0(4) . .
N1 N2 Zn2 125.8(3) . .
C9 N2 Zn2 125.9(4) . .
C9 N2 N1 107.2(4) . .
C12 N3 Zn2 120.1(4) . 8_755
C16 N3 Zn2 122.1(4) . 8_755
C16 N3 C12 117.7(5) . .
N5 C1 H1 125.3 . .
N5 C1 C2 109.4(5) . .
C2 C1 H1 125.3 . .
C1 C2 C6 129.5(5) . .
C3 C2 C1 103.2(5) . .
C3 C2 C6 127.3(5) . .
N4 C3 C2 110.9(5) . .
N4 C3 H3 124.5 . .
C2 C3 H3 124.5 . .
N6 C4 H4 118.2 . .
N6 C4 C5 123.6(5) . .
C5 C4 H4 118.2 . .
C4 C5 H5 120.1 . .
C6 C5 C4 119.7(5) . .
C6 C5 H5 120.1 . .
C5 C6 C2 119.6(5) . .
C5 C6 C7 117.1(5) . .
C7 C6 C2 123.3(5) . .
C6 C7 H7 120.4 . .
C8 C7 C6 119.2(5) . .
C8 C7 H7 120.4 . .
N6 C8 C7 123.5(5) . .
N6 C8 H8 118.3 . .
C7 C8 H8 118.3 . .
N2 C9 H9 124.5 . .
N2 C9 C10 111.0(5) . .
C10 C9 H9 124.5 . .
C9 C10 C11 103.0(5) . .
C9 C10 C14 127.9(5) . .
C11 C10 C14 128.9(5) . .
N1 C11 C10 110.6(5) . .
N1 C11 H11 124.7 . .
C10 C11 H11 124.7 . .
N3 C12 H12 118.5 . .
N3 C12 C13 123.0(5) . .
C13 C12 H12 118.5 . .
C12 C13 H13 119.5 . .
C12 C13 C14 120.9(5) . .
C14 C13 H13 119.5 . .
C13 C14 C10 120.5(5) . .
C15 C14 C10 124.0(5) . .
C15 C14 C13 115.4(5) . .
C14 C15 H15 119.8 . .
C16 C15 C14 120.3(5) . .
C16 C15 H15 119.8 . .
N3 C16 C15 122.7(5) . .
N3 C16 H16 118.7 . .
C15 C16 H16 118.7 . .
O1 C17 O2 126.9(9) . .
O1 C17 C19 114.5(10) . .
O2 C17 C19 118.2(9) . .
O3 C18 Zn2 58.2(4) . 3_655
O3 C18 C22 119.9(9) . .
O4 C18 Zn2 61.0(4) . 3_655
O4 C18 O3 119.2(8) . .
O4 C18 C22 121.0(10) . .
C22 C18 Zn2 178.0(9) . 3_655
C20 C19 C17 124.8(8) . .
C24 C19 C17 116.2(7) . .
C24 C19 C20 118.9(6) . .
C19 C20 H20 119.8 . .
C21 C20 C19 120.4(6) . .
C21 C20 H20 119.8 . .
C20 C21 H21 120.0 . .
C20 C21 C22 119.9(6) . .
C22 C21 H21 120.0 . .
C21 C22 C18 120.6(7) . .
C21 C22 C23 117.9(6) . .
C23 C22 C18 121.4(7) . .
C22 C23 H23 119.0 . .
C24 C23 C22 122.0(6) . .
C24 C23 H23 119.0 . .
C19 C24 H24 119.7 . .
C23 C24 C19 120.7(7) . .
C23 C24 H24 119.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O1 2.030(6) .
Zn1 N4 2.008(5) .
Zn1 N6 2.035(4) 8_655
Zn1 N1 1.983(4) .
Zn2 O3 2.176(6) 3_645
Zn2 O4 2.238(6) 3_645
Zn2 N5 2.017(4) .
Zn2 N2 2.013(5) .
Zn2 N3 2.059(5) 8_756
Zn2 C18 2.558(8) 3_645
O1 C17 1.205(12) .
O2 C17 1.266(12) .
O3 Zn2 2.176(6) 3_655
O3 C18 1.250(12) .
O4 Zn2 2.238(6) 3_655
O4 C18 1.237(13) .
N4 N5 1.367(6) .
N4 C3 1.313(7) .
N5 C1 1.332(7) .
N6 Zn1 2.035(4) 8_656
N6 C4 1.331(7) .
N6 C8 1.341(7) .
N1 N2 1.369(6) .
N1 C11 1.323(7) .
N2 C9 1.331(7) .
N3 Zn2 2.059(5) 8_755
N3 C12 1.349(7) .
N3 C16 1.329(7) .
C1 H1 0.9300 .
C1 C2 1.420(8) .
C2 C3 1.384(8) .
C2 C6 1.454(8) .
C3 H3 0.9300 .
C4 H4 0.9300 .
C4 C5 1.383(8) .
C5 H5 0.9300 .
C5 C6 1.372(8) .
C6 C7 1.406(8) .
C7 H7 0.9300 .
C7 C8 1.374(8) .
C8 H8 0.9300 .
C9 H9 0.9300 .
C9 C10 1.385(8) .
C10 C11 1.392(8) .
C10 C14 1.453(8) .
C11 H11 0.9300 .
C12 H12 0.9300 .
C12 C13 1.353(8) .
C13 H13 0.9300 .
C13 C14 1.410(8) .
C14 C15 1.397(8) .
C15 H15 0.9300 .
C15 C16 1.389(8) .
C16 H16 0.9300 .
C17 C19 1.564(11) .
C18 Zn2 2.558(8) 3_655
C18 C22 1.475(10) .
C19 C20 1.386(11) .
C19 C24 1.362(11) .
C20 H20 0.9300 .
C20 C21 1.379(10) .
C21 H21 0.9300 .
C21 C22 1.381(9) .
C22 C23 1.384(10) .
C23 H23 0.9300 .
C23 C24 1.341(10) .
C24 H24 0.9300 .
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
Zn1 O1 C17 O2 -8.8(13) .
Zn1 O1 C17 C19 177.8(6) .
Zn1 N4 N5 Zn2 27.4(6) .
Zn1 N4 N5 C1 -174.5(4) .
Zn1 N4 C3 C2 174.5(4) .
Zn1 N6 C4 C5 174.9(5) 8_656
Zn1 N6 C8 C7 -175.1(5) 8_656
Zn1 N1 N2 Zn2 9.2(6) .
Zn1 N1 N2 C9 177.8(4) .
Zn1 N1 C11 C10 -176.9(4) .
Zn2 O3 C18 O4 -0.1(9) 3_655
Zn2 O3 C18 C22 179.6(7) 3_655
Zn2 O4 C18 O3 0.1(9) 3_655
Zn2 O4 C18 C22 -179.6(8) 3_655
Zn2 N5 C1 C2 158.0(4) .
Zn2 N2 C9 C10 166.4(4) .
Zn2 N3 C12 C13 175.7(5) 8_755
Zn2 N3 C16 C15 -176.1(4) 8_755
O1 C17 C19 C20 26.0(13) .
O1 C17 C19 C24 -154.6(8) .
O2 C17 C19 C20 -148.0(9) .
O2 C17 C19 C24 31.4(12) .
O3 C18 C22 C21 -5.7(12) .
O3 C18 C22 C23 174.5(7) .
O4 C18 C22 C21 174.0(8) .
O4 C18 C22 C23 -5.8(12) .
N4 N5 C1 C2 0.1(6) .
N5 N4 C3 C2 0.4(6) .
N5 C1 C2 C3 0.2(6) .
N5 C1 C2 C6 -177.7(5) .
N6 C4 C5 C6 0.2(10) .
N1 N2 C9 C10 -2.2(6) .
N2 N1 C11 C10 -1.2(7) .
N2 C9 C10 C11 1.4(7) .
N2 C9 C10 C14 -174.1(5) .
N3 C12 C13 C14 -0.2(10) .
C1 C2 C3 N4 -0.4(6) .
C1 C2 C6 C5 156.6(6) .
C1 C2 C6 C7 -24.2(9) .
C2 C6 C7 C8 178.1(5) .
C3 N4 N5 Zn2 -158.4(4) .
C3 N4 N5 C1 -0.3(6) .
C3 C2 C6 C5 -20.7(9) .
C3 C2 C6 C7 158.5(6) .
C4 N6 C8 C7 2.3(9) .
C4 C5 C6 C2 -178.3(6) .
C4 C5 C6 C7 2.4(9) .
C5 C6 C7 C8 -2.6(8) .
C6 C2 C3 N4 177.5(5) .
C6 C7 C8 N6 0.3(9) .
C8 N6 C4 C5 -2.6(9) .
C9 C10 C11 N1 -0.1(7) .
C9 C10 C14 C13 161.1(6) .
C9 C10 C14 C15 -14.9(9) .
C10 C14 C15 C16 173.9(6) .
C11 N1 N2 Zn2 -166.6(4) .
C11 N1 N2 C9 2.0(6) .
C11 C10 C14 C13 -13.2(10) .
C11 C10 C14 C15 170.7(6) .
C12 N3 C16 C15 0.6(9) .
C12 C13 C14 C10 -174.4(6) .
C12 C13 C14 C15 2.0(9) .
C13 C14 C15 C16 -2.4(8) .
C14 C10 C11 N1 175.3(6) .
C14 C15 C16 N3 1.1(9) .
C16 N3 C12 C13 -1.1(9) .
C17 C19 C20 C21 179.0(7) .
C17 C19 C24 C23 178.7(7) .
C18 C22 C23 C24 177.3(7) .
C19 C20 C21 C22 1.1(11) .
C20 C19 C24 C23 -1.8(11) .
C20 C21 C22 C18 -179.6(7) .
C20 C21 C22 C23 0.3(10) .
C21 C22 C23 C24 -2.6(10) .
C22 C23 C24 C19 3.4(11) .
C24 C19 C20 C21 -0.4(11) .
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
_platon_squeeze_void_content
1 -0.082 -0.052 0.425 2544 706 ' '
