#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/01/7210123.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_7210123
loop_
_publ_author_name
'Xu, Guohai'
'Lv, Jianyi'
'Guo, Peng'
'Zhou, Zhonggao'
'Du, Ziyi'
'Xie, Yongrong'
_publ_section_title
;
 Two ligand-length-tunable interpenetrating coordination networks with
 stable Zn2 unit as three-connected uninode and supramolecular topologies
;
_journal_issue                   22
_journal_name_full               CrystEngComm
_journal_page_first              4473
_journal_paper_doi               10.1039/c3ce40117k
_journal_volume                  15
_journal_year                    2013
_chemical_formula_moiety         'C27 H26 N O9 Zn2'
_chemical_formula_sum            'C27 H26 N O9 Zn2'
_chemical_formula_weight         639.23
_chemical_melting_point          ?
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 130.711(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   29.662(1)
_cell_length_b                   11.265(5)
_cell_length_c                   21.545(2)
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.1
_cell_measurement_theta_min      1.9
_cell_volume                     5457(2)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        'SAINT (Bruker, 1999)'
_computing_molecular_graphics    'SHELXTL-PLUS (Sheldrick, 1990)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97(Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       'ω scan'
_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  0.0262
_diffrn_reflns_av_sigmaI/netI    0.0282
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            14831
_diffrn_reflns_theta_full        26.07
_diffrn_reflns_theta_max         26.07
_diffrn_reflns_theta_min         1.90
_exptl_absorpt_coefficient_mu    1.812
_exptl_absorpt_correction_T_max  0.845
_exptl_absorpt_correction_T_min  0.688
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.556
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2616
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.590
_refine_diff_density_min         -0.329
_refine_diff_density_rms         0.067
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     376
_refine_ls_number_reflns         5397
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0415
_refine_ls_R_factor_gt           0.0328
_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)+(0.0506P)²+8.2510P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0891
_refine_ls_wR_factor_ref         0.0939
_reflns_number_gt                4553
_reflns_number_total             5397
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce40117k.txt
_cod_data_source_block           compound2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

'_symmetry_cell_setting' value
'Monoclinic' changed to 'monoclinic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        5456.9(5)
_cod_original_sg_symbol_Hall     '-c 2yc'
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7210123
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 0.70115(11) 0.0138(2) 0.53600(15) 0.0296(6) Uani 1 1 d . . .
C2 C 0.64095(11) 0.0087(2) 0.45167(15) 0.0281(6) Uani 1 1 d . . .
C3 C 0.60618(11) 0.1100(3) 0.41726(16) 0.0310(6) Uani 1 1 d . . .
H3 H 0.6198 0.1803 0.4471 0.037 Uiso 1 1 calc R . .
C4 C 0.55121(11) 0.1075(3) 0.33867(16) 0.0312(6) Uani 1 1 d . . .
H4 H 0.5285 0.1764 0.3163 0.037 Uiso 1 1 calc R . .
C5 C 0.52943(11) 0.0030(2) 0.29260(15) 0.0279(6) Uani 1 1 d . . .
C6 C 0.56451(12) -0.0993(2) 0.32825(16) 0.0306(6) Uani 1 1 d . . .
H6 H 0.5505 -0.1702 0.2991 0.037 Uiso 1 1 calc R . .
C7 C 0.61993(12) -0.0968(2) 0.40654(16) 0.0305(6) Uani 1 1 d . . .
H7 H 0.6430 -0.1652 0.4289 0.037 Uiso 1 1 calc R . .
C8 C 0.85681(14) 0.0000(3) 0.55152(18) 0.0397(7) Uani 1 1 d . . .
C9 C 0.89856(14) -0.0003(3) 0.53486(19) 0.0397(7) Uani 1 1 d . . .
C10 C 0.8948(2) 0.0801(4) 0.4852(3) 0.0866(17) Uani 1 1 d . . .
H10 H 0.8648 0.1370 0.4593 0.104 Uiso 1 1 calc R . .
C11 C 0.9346(2) 0.0795(4) 0.4718(3) 0.0856(17) Uani 1 1 d . . .
H11 H 0.9306 0.1364 0.4372 0.103 Uiso 1 1 calc R A .
C12 C 0.97892(14) -0.0002(3) 0.50706(19) 0.0400(7) Uani 1 1 d . . .
C13 C 0.9909(3) -0.0537(7) 0.5775(5) 0.0406(16) Uani 0.50 1 d P A 1
H13 H 1.0279 -0.0888 0.6168 0.049 Uiso 0.50 1 calc PR A 1
C14 C 0.9507(4) -0.0555(7) 0.5897(5) 0.0414(17) Uani 0.50 1 d P A 1
H14 H 0.9595 -0.0940 0.6347 0.050 Uiso 0.50 1 calc PR A 1
C13' C 0.9758(3) -0.1015(6) 0.5400(5) 0.0381(15) Uani 0.50 1 d P A 2
H13' H 0.9988 -0.1679 0.5517 0.046 Uiso 0.50 1 calc PR A 2
C14' C 0.9367(4) -0.1002(7) 0.5551(5) 0.0380(16) Uani 0.50 1 d P A 2
H14' H 0.9350 -0.1665 0.5793 0.046 Uiso 0.50 1 calc PR A 2
C15 C 0.85037(12) -0.2346(2) 0.75836(16) 0.0296(6) Uani 1 1 d . A .
C16 C 0.89374(11) -0.3148(2) 0.82940(15) 0.0259(5) Uani 1 1 d . . .
C17 C 0.94683(13) -0.3454(3) 0.84820(17) 0.0368(7) Uani 1 1 d . . .
H17 H 0.9546 -0.3173 0.8154 0.044 Uiso 1 1 calc R . .
C18 C 0.98792(13) -0.4161(3) 0.91405(17) 0.0372(7) Uani 1 1 d . . .
H18 H 1.0231 -0.4350 0.9252 0.045 Uiso 1 1 calc R . .
C19 C 0.97798(11) -0.4606(2) 0.96486(14) 0.0239(5) Uani 1 1 d . . .
C20 C 0.92517(14) -0.4281(2) 0.94575(18) 0.0361(6) Uani 1 1 d . . .
H20 H 0.9173 -0.4555 0.9786 0.043 Uiso 1 1 calc R . .
C21 C 0.88375(13) -0.3566(3) 0.87968(18) 0.0357(6) Uani 1 1 d . . .
H21 H 0.8489 -0.3364 0.8690 0.043 Uiso 1 1 calc R . .
C22 C 0.90160(14) 0.1279(3) 0.7470(2) 0.0558(9) Uani 1 1 d . A .
H22A H 0.9018 0.1736 0.7090 0.067 Uiso 1 1 calc R . .
H22B H 0.9329 0.0688 0.7725 0.067 Uiso 1 1 calc R . .
C23 C 0.91258(14) 0.2085(4) 0.8112(2) 0.0589(10) Uani 1 1 d . . .
H23A H 0.9221 0.1612 0.8560 0.071 Uiso 1 1 calc R . .
H23B H 0.9464 0.2593 0.8327 0.071 Uiso 1 1 calc R . .
C24 C 0.82245(16) 0.1967(4) 0.8399(2) 0.0682(12) Uani 1 1 d . A .
H24A H 0.8489 0.1288 0.8620 0.082 Uiso 1 1 calc R . .
H24B H 0.8135 0.2133 0.8750 0.082 Uiso 1 1 calc R . .
C25 C 0.85225(17) 0.3040(4) 0.8370(2) 0.0665(12) Uani 1 1 d . . .
H25A H 0.8278 0.3740 0.8210 0.080 Uiso 1 1 calc R . .
H25B H 0.8905 0.3181 0.8908 0.080 Uiso 1 1 calc R . .
C26 C 0.7989(2) 0.4358(3) 0.6758(3) 0.0896(16) Uani 1 1 d . A .
H26A H 0.7842 0.4687 0.7013 0.108 Uiso 1 1 calc R . .
H26B H 0.7984 0.4978 0.6441 0.108 Uiso 1 1 calc R . .
C27 C 0.8600(2) 0.3899(3) 0.7389(3) 0.0719(12) Uani 1 1 d . . .
H27A H 0.8772 0.3726 0.7140 0.086 Uiso 1 1 calc R . .
H27B H 0.8844 0.4501 0.7805 0.086 Uiso 1 1 calc R . .
N1 N 0.86040(12) 0.2817(2) 0.77738(17) 0.0472(7) Uani 1 1 d . . .
O1 O 0.71079(8) 0.10179(18) 0.57933(11) 0.0367(5) Uani 1 1 d . . .
O2 O 0.73648(8) -0.06897(17) 0.55601(12) 0.0379(5) Uani 1 1 d . . .
O3 O 0.81795(12) 0.0782(2) 0.52170(16) 0.0626(7) Uani 1 1 d . . .
O4 O 0.86442(10) -0.08159(18) 0.59804(13) 0.0413(5) Uani 1 1 d . . .
O5 O 0.86405(9) -0.20277(18) 0.71662(12) 0.0386(5) Uani 1 1 d . . .
O6 O 0.80471(10) -0.2014(2) 0.74504(15) 0.0524(6) Uani 1 1 d . . .
O7 O 0.84616(8) 0.07164(17) 0.70459(13) 0.0375(5) Uani 1 1 d . . .
O8 O 0.76214(14) 0.3375(2) 0.62352(18) 0.0740(9) Uani 1 1 d D . .
O9 O 0.76857(10) 0.1711(2) 0.75832(13) 0.0485(6) Uani 1 1 d D . .
Zn1 Zn 0.783759(13) 0.17651(3) 0.678277(18) 0.02836(10) Uani 1 1 d . A .
Zn2 Zn 0.823195(13) -0.07066(3) 0.640414(18) 0.02897(10) Uani 1 1 d . A .
H01 H 0.7309(11) 0.354(3) 0.5694(12) 0.043 Uiso 1 1 d D . .
H02 H 0.7402(12) 0.224(2) 0.749(2) 0.043 Uiso 1 1 d 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_3
O2 C1 O1 126.6(2) .
O2 C1 C2 117.1(2) .
O1 C1 C2 116.2(2) .
C3 C2 C7 119.3(2) .
C3 C2 C1 119.9(2) .
C7 C2 C1 120.8(2) .
C2 C3 C4 120.6(3) .
C2 C3 H3 119.7 .
C4 C3 H3 119.7 .
C3 C4 C5 121.0(3) .
C3 C4 H4 119.5 .
C5 C4 H4 119.5 .
C4 C5 C6 118.1(2) .
C4 C5 C5 120.03(16) 2_655
C6 C5 C5 121.91(16) 2_655
C7 C6 C5 121.1(3) .
C7 C6 H6 119.4 .
C5 C6 H6 119.4 .
C6 C7 C2 120.0(2) .
C6 C7 H7 120.0 .
C2 C7 H7 120.0 .
O3 C8 O4 123.3(3) .
O3 C8 C9 120.7(3) .
O4 C8 C9 116.1(3) .
C14 C9 C10 117.5(4) .
C14 C9 C14' 31.3(4) .
C10 C9 C14' 113.9(4) .
C14 C9 C8 116.7(4) .
C10 C9 C8 122.3(3) .
C14' C9 C8 122.4(4) .
C9 C10 C11 121.3(3) .
C9 C10 H10 119.3 .
C11 C10 H10 119.3 .
C12 C11 C10 122.5(3) .
C12 C11 H11 118.7 .
C10 C11 H11 118.7 .
C11 C12 C13' 118.3(4) .
C11 C12 C13 110.6(4) .
C13' C12 C13 33.6(3) .
C11 C12 C12 122.1(3) 5_756
C13' C12 C12 117.5(4) 5_756
C13 C12 C12 124.1(4) 5_756
C14 C13 C12 123.8(6) .
C14 C13 H13 118.1 .
C12 C13 H13 118.1 .
C9 C14 C13 118.0(6) .
C9 C14 H14 121.0 .
C13 C14 H14 121.0 .
C12 C13' C14' 117.2(6) .
C12 C13' H13' 121.4 .
C14' C13' H13' 121.4 .
C13' C14' C9 122.9(6) .
C13' C14' H14' 118.6 .
C9 C14' H14' 118.6 .
O6 C15 O5 124.1(3) .
O6 C15 C16 119.8(2) .
O5 C15 C16 116.1(2) .
C21 C16 C17 118.0(2) .
C21 C16 C15 121.8(2) .
C17 C16 C15 120.1(2) .
C18 C17 C16 121.3(3) .
C18 C17 H17 119.3 .
C16 C17 H17 119.3 .
C17 C18 C19 121.3(3) .
C17 C18 H18 119.4 .
C19 C18 H18 119.4 .
C20 C19 C18 116.6(2) .
C20 C19 C19 122.2(3) 5_747
C18 C19 C19 121.2(3) 5_747
C21 C20 C19 122.3(2) .
C21 C20 H20 118.8 .
C19 C20 H20 118.8 .
C16 C21 C20 120.5(3) .
C16 C21 H21 119.8 .
C20 C21 H21 119.8 .
O7 C22 C23 109.2(3) .
O7 C22 H22A 109.8 .
C23 C22 H22A 109.8 .
O7 C22 H22B 109.8 .
C23 C22 H22B 109.8 .
H22A C22 H22B 108.3 .
N1 C23 C22 111.0(3) .
N1 C23 H23A 109.4 .
C22 C23 H23A 109.4 .
N1 C23 H23B 109.4 .
C22 C23 H23B 109.4 .
H23A C23 H23B 108.0 .
O9 C24 C25 108.8(3) .
O9 C24 H24A 109.9 .
C25 C24 H24A 109.9 .
O9 C24 H24B 109.9 .
C25 C24 H24B 109.9 .
H24A C24 H24B 108.3 .
N1 C25 C24 109.2(3) .
N1 C25 H25A 109.8 .
C24 C25 H25A 109.8 .
N1 C25 H25B 109.8 .
C24 C25 H25B 109.8 .
H25A C25 H25B 108.3 .
O8 C26 C27 107.3(3) .
O8 C26 H26A 110.2 .
C27 C26 H26A 110.2 .
O8 C26 H26B 110.2 .
C27 C26 H26B 110.2 .
H26A C26 H26B 108.5 .
N1 C27 C26 111.2(3) .
N1 C27 H27A 109.4 .
C26 C27 H27A 109.4 .
N1 C27 H27B 109.4 .
C26 C27 H27B 109.4 .
H27A C27 H27B 108.0 .
C23 N1 C27 111.4(3) .
C23 N1 C25 112.6(3) .
C27 N1 C25 113.9(3) .
C23 N1 Zn1 105.59(19) .
C27 N1 Zn1 106.1(2) .
C25 N1 Zn1 106.6(2) .
C1 O1 Zn1 133.85(17) .
C1 O2 Zn2 128.78(18) .
C8 O4 Zn2 118.82(19) .
C15 O5 Zn2 120.56(18) .
C22 O7 Zn2 123.80(19) .
C22 O7 Zn1 113.78(19) .
Zn2 O7 Zn1 118.21(9) .
C26 O8 Zn1 116.2(2) .
C26 O8 H01 117(2) .
Zn1 O8 H01 127(2) .
C24 O9 Zn1 110.1(2) .
C24 O9 H02 106(2) .
Zn1 O9 H02 117(2) .
O7 Zn1 O1 102.71(8) .
O7 Zn1 O8 126.41(12) .
O1 Zn1 O8 92.58(10) .
O7 Zn1 O9 115.30(9) .
O1 Zn1 O9 101.99(8) .
O8 Zn1 O9 110.91(12) .
O7 Zn1 N1 81.90(9) .
O1 Zn1 N1 171.98(10) .
O8 Zn1 N1 79.42(11) .
O9 Zn1 N1 81.58(10) .
O7 Zn2 O5 107.26(9) .
O7 Zn2 O4 110.63(9) .
O5 Zn2 O4 96.38(8) .
O7 Zn2 O2 107.10(8) .
O5 Zn2 O2 120.66(9) .
O4 Zn2 O2 114.31(9) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O2 1.251(3) .
C1 O1 1.260(3) .
C1 C2 1.504(3) .
C2 C3 1.385(4) .
C2 C7 1.398(4) .
C3 C4 1.387(4) .
C3 H3 0.9300 .
C4 C5 1.398(4) .
C4 H4 0.9300 .
C5 C6 1.399(4) .
C5 C5 1.496(5) 2_655
C6 C7 1.390(4) .
C6 H6 0.9300 .
C7 H7 0.9300 .
C8 O3 1.245(4) .
C8 O4 1.267(3) .
C8 C9 1.497(4) .
C9 C14 1.338(8) .
C9 C10 1.350(4) .
C9 C14' 1.446(8) .
C10 C11 1.386(5) .
C10 H10 0.9300 .
C11 C12 1.345(5) .
C11 H11 0.9300 .
C12 C13' 1.378(7) .
C12 C13 1.444(7) .
C12 C12 1.467(6) 5_756
C13 C14 1.379(11) .
C13 H13 0.9300 .
C14 H14 0.9300 .
C13' C14' 1.396(10) .
C13' H13' 0.9300 .
C14' H14' 0.9300 .
C15 O6 1.245(3) .
C15 O5 1.257(3) .
C15 C16 1.498(4) .
C16 C21 1.379(4) .
C16 C17 1.389(4) .
C17 C18 1.370(4) .
C17 H17 0.9300 .
C18 C19 1.399(4) .
C18 H18 0.9300 .
C19 C20 1.384(4) .
C19 C19 1.486(5) 5_747
C20 C21 1.380(4) .
C20 H20 0.9300 .
C21 H21 0.9300 .
C22 O7 1.408(4) .
C22 C23 1.503(5) .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C23 N1 1.461(4) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C24 O9 1.436(4) .
C24 C25 1.522(6) .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C25 N1 1.475(5) .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C26 O8 1.443(5) .
C26 C27 1.480(6) .
C26 H26A 0.9700 .
C26 H26B 0.9700 .
C27 N1 1.469(5) .
C27 H27A 0.9700 .
C27 H27B 0.9700 .
N1 Zn1 2.191(3) .
O1 Zn1 1.9797(19) .
O2 Zn2 1.9549(19) .
O4 Zn2 1.949(2) .
O5 Zn2 1.9450(19) .
O7 Zn2 1.9279(19) .
O7 Zn1 1.9426(19) .
O8 Zn1 2.026(2) .
O8 H01 0.919(18) .
O9 Zn1 2.048(2) .
O9 H02 0.936(18) .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O8 H01 O3 0.919(18) 1.68(2) 2.577(4) 164(3) 7_656
O9 H02 O6 0.936(18) 1.65(2) 2.566(3) 164(3) 4_656
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 C1 C2 C3 -162.4(3) . .
O1 C1 C2 C3 17.5(4) . .
O2 C1 C2 C7 16.3(4) . .
O1 C1 C2 C7 -163.9(2) . .
C7 C2 C3 C4 -0.4(4) . .
C1 C2 C3 C4 178.3(2) . .
C2 C3 C4 C5 0.4(4) . .
C3 C4 C5 C6 0.4(4) . .
C3 C4 C5 C5 -178.8(3) . 2_655
C4 C5 C6 C7 -1.3(4) . .
C5 C5 C6 C7 178.0(3) 2_655 .
C5 C6 C7 C2 1.3(4) . .
C3 C2 C7 C6 -0.4(4) . .
C1 C2 C7 C6 -179.1(2) . .
O3 C8 C9 C14 156.1(5) . .
O4 C8 C9 C14 -22.7(6) . .
O3 C8 C9 C10 -2.5(6) . .
O4 C8 C9 C10 178.7(4) . .
O3 C8 C9 C14' -168.3(5) . .
O4 C8 C9 C14' 12.9(6) . .
C14 C9 C10 C11 20.3(8) . .
C14' C9 C10 C11 -14.4(8) . .
C8 C9 C10 C11 178.7(4) . .
C9 C10 C11 C12 0.1(9) . .
C10 C11 C12 C13' 16.9(8) . .
C10 C11 C12 C13 -19.2(8) . .
C10 C11 C12 C12 -179.7(5) . 5_756
C11 C12 C13 C14 21.2(10) . .
C13' C12 C13 C14 -89.4(12) . .
C12 C12 C13 C14 -178.9(7) 5_756 .
C10 C9 C14 C13 -18.1(10) . .
C14' C9 C14 C13 73.3(10) . .
C8 C9 C14 C13 -177.7(6) . .
C12 C13 C14 C9 -2.9(12) . .
C11 C12 C13' C14' -17.3(9) . .
C13 C12 C13' C14' 67.6(9) . .
C12 C12 C13' C14' 178.5(6) 5_756 .
C12 C13' C14' C9 2.5(12) . .
C14 C9 C14' C13' -90.9(12) . .
C10 C9 C14' C13' 13.2(10) . .
C8 C9 C14' C13' -179.9(6) . .
O6 C15 C16 C21 2.1(4) . .
O5 C15 C16 C21 -179.6(3) . .
O6 C15 C16 C17 -175.4(3) . .
O5 C15 C16 C17 2.9(4) . .
C21 C16 C17 C18 0.8(4) . .
C15 C16 C17 C18 178.3(3) . .
C16 C17 C18 C19 0.1(5) . .
C17 C18 C19 C20 -0.8(4) . .
C17 C18 C19 C19 178.6(3) . 5_747
C18 C19 C20 C21 0.6(4) . .
C19 C19 C20 C21 -178.8(3) 5_747 .
C17 C16 C21 C20 -1.0(4) . .
C15 C16 C21 C20 -178.5(3) . .
C19 C20 C21 C16 0.3(5) . .
O7 C22 C23 N1 -47.4(4) . .
O9 C24 C25 N1 -54.3(4) . .
O8 C26 C27 N1 -49.3(5) . .
C22 C23 N1 C27 -85.6(4) . .
C22 C23 N1 C25 145.1(3) . .
C22 C23 N1 Zn1 29.2(4) . .
C26 C27 N1 C23 155.2(4) . .
C26 C27 N1 C25 -76.1(4) . .
C26 C27 N1 Zn1 40.8(4) . .
C24 C25 N1 C23 -80.7(4) . .
C24 C25 N1 C27 151.3(3) . .
C24 C25 N1 Zn1 34.6(4) . .
O2 C1 O1 Zn1 18.2(5) . .
C2 C1 O1 Zn1 -161.62(19) . .
O1 C1 O2 Zn2 -21.9(4) . .
C2 C1 O2 Zn2 157.97(18) . .
O3 C8 O4 Zn2 -10.7(4) . .
C9 C8 O4 Zn2 168.1(2) . .
O6 C15 O5 Zn2 13.2(4) . .
C16 C15 O5 Zn2 -164.98(17) . .
C23 C22 O7 Zn2 -161.2(2) . .
C23 C22 O7 Zn1 42.4(4) . .
C27 C26 O8 Zn1 33.7(5) . .
C25 C24 O9 Zn1 45.7(4) . .
C22 O7 Zn1 O1 153.0(2) . .
Zn2 O7 Zn1 O1 -4.84(14) . .
C22 O7 Zn1 O8 50.1(3) . .
Zn2 O7 Zn1 O8 -107.77(14) . .
C22 O7 Zn1 O9 -97.0(2) . .
Zn2 O7 Zn1 O9 105.17(13) . .
C22 O7 Zn1 N1 -20.3(2) . .
Zn2 O7 Zn1 N1 -178.17(14) . .
C1 O1 Zn1 O7 -3.7(3) . .
C1 O1 Zn1 O8 124.6(3) . .
C1 O1 Zn1 O9 -123.4(3) . .
C1 O1 Zn1 N1 120.8(6) . .
C26 O8 Zn1 O7 -80.9(4) . .
C26 O8 Zn1 O1 171.2(3) . .
C26 O8 Zn1 O9 67.3(4) . .
C26 O8 Zn1 N1 -9.3(3) . .
C24 O9 Zn1 O7 56.4(3) . .
C24 O9 Zn1 O1 166.8(3) . .
C24 O9 Zn1 O8 -95.7(3) . .
C24 O9 Zn1 N1 -20.5(3) . .
C23 N1 Zn1 O7 -5.9(2) . .
C27 N1 Zn1 O7 112.4(2) . .
C25 N1 Zn1 O7 -125.8(3) . .
C23 N1 Zn1 O1 -131.7(6) . .
C27 N1 Zn1 O1 -13.3(8) . .
C25 N1 Zn1 O1 108.4(7) . .
C23 N1 Zn1 O8 -135.5(3) . .
C27 N1 Zn1 O8 -17.1(2) . .
C25 N1 Zn1 O8 104.6(3) . .
C23 N1 Zn1 O9 111.3(2) . .
C27 N1 Zn1 O9 -130.3(2) . .
C25 N1 Zn1 O9 -8.6(2) . .
C22 O7 Zn2 O5 76.2(3) . .
Zn1 O7 Zn2 O5 -128.32(12) . .
C22 O7 Zn2 O4 -27.8(3) . .
Zn1 O7 Zn2 O4 127.71(11) . .
C22 O7 Zn2 O2 -152.9(3) . .
Zn1 O7 Zn2 O2 2.55(14) . .
C15 O5 Zn2 O7 68.7(2) . .
C15 O5 Zn2 O4 -177.3(2) . .
C15 O5 Zn2 O2 -54.1(2) . .
C8 O4 Zn2 O7 -60.1(2) . .
C8 O4 Zn2 O5 -171.3(2) . .
C8 O4 Zn2 O2 60.9(2) . .
C1 O2 Zn2 O7 10.7(3) . .
C1 O2 Zn2 O5 133.6(2) . .
C1 O2 Zn2 O4 -112.2(2) . .
