#------------------------------------------------------------------------------
#$Date: 2016-03-24 01:52:43 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179544 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/13/4501332.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_4501332
loop_
_publ_author_name
'Yang, Yan'
'Du, Peng'
'Ma, Jian-Fang'
'Kan, Wei-Qiu'
'Liu, Bo'
'Yang, Jin'
_publ_section_title
;
 A Series of Metal--Organic Frameworks Based on Different Salicylic
 Derivatives and 1,1′-(1,4-Butanediyl)bis(imidazole) Ligand:
 Syntheses, Structures, and Luminescent Properties
;
_journal_issue                   12
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              5540
_journal_paper_doi               10.1021/cg201118x
_journal_volume                  11
_journal_year                    2011
_chemical_formula_moiety         'C24 H20 Cl2 N4 O6  Zn2, H2O'
_chemical_formula_sum            'C24 H22 Cl2 N4 O7 Zn2'
_chemical_formula_weight         680.10
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 101.600(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.4557(5)
_cell_length_b                   13.6034(4)
_cell_length_c                   17.3626(7)
_cell_measurement_reflns_used    2587
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.0958
_cell_measurement_theta_min      2.8191
_cell_volume                     2650.46(18)
_computing_cell_refinement       CrysAlis
_computing_data_collection       'CrysAlis (Oxford Diffraction, 2006)'
_computing_data_reduction        CrysAlis
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Oxford Diffraction Gemini R Ultra'
_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  0.0454
_diffrn_reflns_av_sigmaI/netI    0.1291
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            10411
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.82
_exptl_absorpt_coefficient_mu    2.063
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.94858
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis (Oxford Diffraction, 2006)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.704
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1376
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.504
_refine_diff_density_min         -0.290
_refine_diff_density_rms         0.059
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.696
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     358
_refine_ls_number_reflns         4669
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.696
_refine_ls_R_factor_all          0.0854
_refine_ls_R_factor_gt           0.0343
_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)+(0.0160P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0481
_refine_ls_wR_factor_ref         0.0520
_reflns_number_gt                2310
_reflns_number_total             4669
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            cg201118x_si_002.cif
_cod_data_source_block           Compound-5
_cod_database_code               4501332
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
Zn1 Zn 1.00088(4) 0.62593(3) 0.79340(2) 0.04175(13) Uani 1 1 d .
Zn2 Zn 0.77003(4) 0.35438(3) 0.77950(2) 0.03899(14) Uani 1 1 d .
C1 C 1.2274(4) 0.6174(3) 0.9142(2) 0.0419(10) Uani 1 1 d .
H1 H 1.2629 0.6657 0.8886 0.050 Uiso 1 1 calc R
C2 C 1.1990(5) 0.5122(3) 1.0005(3) 0.0615(13) Uani 1 1 d .
H2 H 1.2087 0.4730 1.0452 0.074 Uiso 1 1 calc R
C3 C 1.1037(4) 0.5149(3) 0.9421(3) 0.0604(12) Uani 1 1 d .
H3 H 1.0354 0.4770 0.9394 0.073 Uiso 1 1 calc R
C4 C 1.3960(4) 0.5997(3) 1.0296(2) 0.0525(11) Uani 1 1 d .
H4A H 1.3869 0.6203 1.0815 0.063 Uiso 1 1 calc R
H4B H 1.4304 0.6541 1.0057 0.063 Uiso 1 1 calc R
C5 C 1.4812(3) 0.5130(3) 1.03776(19) 0.0502(11) Uani 1 1 d .
H5A H 1.5514 0.5284 1.0773 0.060 Uiso 1 1 calc R
H5B H 1.4431 0.4563 1.0560 0.060 Uiso 1 1 calc R
C6 C 0.8041(5) 0.2042(3) 0.9070(3) 0.0727(15) Uani 1 1 d .
H6 H 0.7253 0.1831 0.8945 0.087 Uiso 1 1 calc R
C7 C 0.9876(7) 0.2139(5) 0.9685(5) 0.129(3) Uani 1 1 d .
H7 H 1.0590 0.2046 1.0041 0.155 Uiso 1 1 calc R
C8 C 0.9663(6) 0.2766(4) 0.9071(4) 0.0990(19) Uani 1 1 d .
H8 H 1.0230 0.3176 0.8926 0.119 Uiso 1 1 calc R
C9 C 0.8695(6) 0.0934(4) 1.0212(3) 0.138(3) Uani 1 1 d .
H9A H 0.7990 0.0555 0.9990 0.166 Uiso 1 1 calc R
H9B H 0.8580 0.1224 1.0702 0.166 Uiso 1 1 calc R
C10 C 0.9879(8) 0.0212(4) 1.0377(3) 0.191(4) Uani 1 1 d .
H10A H 1.0567 0.0586 1.0637 0.229 Uiso 1 1 calc R
H10B H 0.9753 -0.0318 1.0724 0.229 Uiso 1 1 calc R
C11 C 0.9177(3) 0.3999(2) 0.6345(2) 0.0387(10) Uani 1 1 d .
C12 C 0.8314(4) 0.3232(3) 0.6236(2) 0.0424(10) Uani 1 1 d .
C13 C 0.8141(4) 0.2710(3) 0.5522(2) 0.0476(11) Uani 1 1 d .
H13 H 0.7574 0.2211 0.5430 0.057 Uiso 1 1 calc R
C14 C 0.8782(4) 0.2917(3) 0.4962(2) 0.0523(11) Uani 1 1 d .
C15 C 0.9654(4) 0.3627(3) 0.5072(2) 0.0610(12) Uani 1 1 d .
H15 H 1.0112 0.3747 0.4696 0.073 Uiso 1 1 calc R
C16 C 0.9818(4) 0.4152(3) 0.5760(2) 0.0593(13) Uani 1 1 d .
H16 H 1.0396 0.4642 0.5838 0.071 Uiso 1 1 calc R
C17 C 0.9424(3) 0.4646(3) 0.7044(2) 0.0416(10) Uani 1 1 d .
C18 C 1.0167(4) 0.9234(2) 0.7502(2) 0.0336(9) Uani 1 1 d .
C19 C 0.9286(4) 0.9963(2) 0.72925(19) 0.0320(9) Uani 1 1 d .
C20 C 0.9675(3) 1.0947(2) 0.72866(19) 0.0373(10) Uani 1 1 d .
H20 H 0.9115 1.1447 0.7162 0.045 Uiso 1 1 calc R
C21 C 1.0847(4) 1.1175(2) 0.7459(2) 0.0393(10) Uani 1 1 d .
C22 C 1.1736(3) 1.0472(3) 0.7672(2) 0.0461(11) Uani 1 1 d .
H22 H 1.2539 1.0643 0.7790 0.055 Uiso 1 1 calc R
C23 C 1.1368(4) 0.9510(3) 0.7698(2) 0.0456(11) Uani 1 1 d .
H23 H 1.1940 0.9025 0.7851 0.055 Uiso 1 1 calc R
C24 C 0.9900(4) 0.8162(3) 0.7528(2) 0.0398(11) Uani 1 1 d .
N1 N 1.1213(3) 0.5817(2) 0.88666(17) 0.0403(8) Uani 1 1 d .
N2 N 1.2794(3) 0.5776(2) 0.98251(19) 0.0412(8) Uani 1 1 d .
N3 N 0.8511(4) 0.2715(2) 0.8698(2) 0.0515(9) Uani 1 1 d .
N4 N 0.8882(6) 0.1696(3) 0.9670(3) 0.0850(14) Uani 1 1 d .
O1 O 0.9911(2) 0.54691(16) 0.69853(14) 0.0509(7) Uani 1 1 d .
O2 O 0.9165(2) 0.43801(15) 0.76900(14) 0.0406(7) Uani 1 1 d .
O3 O 0.7654(2) 0.29893(15) 0.67480(14) 0.0481(7) Uani 1 1 d .
O5 O 0.8898(2) 0.78331(16) 0.71865(15) 0.0433(7) Uani 1 1 d .
O4 O 1.0687(2) 0.75927(16) 0.78924(15) 0.0498(7) Uani 1 1 d .
O6 O 0.8127(2) 0.97973(15) 0.70960(14) 0.0419(7) Uani 1 1 d .
O1W O 0.8481(2) 0.62575(16) 0.83288(15) 0.0415(7) Uani 1 1 d .
Cl1 Cl 0.84433(12) 0.23047(9) 0.40648(6) 0.0825(4) Uani 1 1 d .
Cl2 Cl 1.12719(10) 1.23955(7) 0.73820(7) 0.0627(3) Uani 1 1 d .
H1A H 0.814(4) 0.678(3) 0.835(3) 0.094 Uiso 1 1 d .
H1B H 0.793(4) 0.578(3) 0.812(2) 0.094 Uiso 1 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'
Cl Cl 0.1484 0.1585 '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 O4 115.47(10) . .
O1 Zn1 N1 115.55(11) . .
O4 Zn1 N1 95.36(12) . .
O1 Zn1 O1W 112.49(11) . .
O4 Zn1 O1W 112.94(10) . .
N1 Zn1 O1W 103.34(12) . .
O3 Zn2 O6 119.78(10) . 2_646
O3 Zn2 N3 115.58(11) . .
O6 Zn2 N3 124.49(11) 2_646 .
O3 Zn2 O2 90.05(10) . .
O6 Zn2 O2 86.97(9) 2_646 .
N3 Zn2 O2 97.01(14) . .
O3 Zn2 O5 88.62(10) . 2_646
O6 Zn2 O5 87.64(10) 2_646 2_646
N3 Zn2 O5 89.86(14) . 2_646
O2 Zn2 O5 172.89(10) . 2_646
N1 C1 N2 113.0(3) . .
N1 C1 H1 123.5 . .
N2 C1 H1 123.5 . .
C3 C2 N2 107.3(4) . .
C3 C2 H2 126.4 . .
N2 C2 H2 126.4 . .
C2 C3 N1 109.8(4) . .
C2 C3 H3 125.1 . .
N1 C3 H3 125.1 . .
N2 C4 C5 113.2(3) . .
N2 C4 H4A 108.9 . .
C5 C4 H4A 108.9 . .
N2 C4 H4B 108.9 . .
C5 C4 H4B 108.9 . .
H4A C4 H4B 107.7 . .
C5 C5 C4 113.1(4) 3_867 .
C5 C5 H5A 109.0 3_867 .
C4 C5 H5A 109.0 . .
C5 C5 H5B 109.0 3_867 .
C4 C5 H5B 109.0 . .
H5A C5 H5B 107.8 . .
N3 C6 N4 109.0(5) . .
N3 C6 H6 125.5 . .
N4 C6 H6 125.5 . .
N4 C7 C8 105.2(7) . .
N4 C7 H7 127.4 . .
C8 C7 H7 127.4 . .
C7 C8 N3 110.6(6) . .
C7 C8 H8 124.7 . .
N3 C8 H8 124.7 . .
N4 C9 C10 108.4(5) . .
N4 C9 H9A 110.0 . .
C10 C9 H9A 110.0 . .
N4 C9 H9B 110.0 . .
C10 C9 H9B 110.0 . .
H9A C9 H9B 108.4 . .
C10 C10 C9 111.5(6) 3_757 .
C10 C10 H10A 109.3 3_757 .
C9 C10 H10A 109.3 . .
C10 C10 H10B 109.3 3_757 .
C9 C10 H10B 109.3 . .
H10A C10 H10B 108.0 . .
C16 C11 C12 118.1(3) . .
C16 C11 C17 118.0(3) . .
C12 C11 C17 123.9(3) . .
O3 C12 C13 117.9(4) . .
O3 C12 C11 124.9(3) . .
C13 C12 C11 117.2(3) . .
C14 C13 C12 121.6(4) . .
C14 C13 H13 119.2 . .
C12 C13 H13 119.2 . .
C13 C14 C15 121.9(4) . .
C13 C14 Cl1 119.0(4) . .
C15 C14 Cl1 119.0(3) . .
C16 C15 C14 117.0(4) . .
C16 C15 H15 121.5 . .
C14 C15 H15 121.5 . .
C15 C16 C11 124.1(4) . .
C15 C16 H16 118.0 . .
C11 C16 H16 118.0 . .
O1 C17 O2 120.5(3) . .
O1 C17 C11 118.4(3) . .
O2 C17 C11 121.0(3) . .
C23 C18 C19 119.5(3) . .
C23 C18 C24 116.8(4) . .
C19 C18 C24 123.6(4) . .
O6 C19 C18 125.3(3) . .
O6 C19 C20 117.5(3) . .
C18 C19 C20 117.2(4) . .
C21 C20 C19 121.1(3) . .
C21 C20 H20 119.4 . .
C19 C20 H20 119.4 . .
C20 C21 C22 122.9(3) . .
C20 C21 Cl2 118.8(3) . .
C22 C21 Cl2 118.3(3) . .
C23 C22 C21 116.6(4) . .
C23 C22 H22 121.7 . .
C21 C22 H22 121.7 . .
C22 C23 C18 122.6(4) . .
C22 C23 H23 118.7 . .
C18 C23 H23 118.7 . .
O4 C24 O5 120.7(3) . .
O4 C24 C18 119.1(4) . .
O5 C24 C18 120.2(4) . .
C1 N1 C3 104.4(3) . .
C1 N1 Zn1 128.6(3) . .
C3 N1 Zn1 126.5(3) . .
C1 N2 C2 105.5(4) . .
C1 N2 C4 127.9(3) . .
C2 N2 C4 126.5(4) . .
C6 N3 C8 105.1(4) . .
C6 N3 Zn2 127.8(4) . .
C8 N3 Zn2 127.0(4) . .
C7 N4 C6 110.1(5) . .
C7 N4 C9 124.8(7) . .
C6 N4 C9 125.1(6) . .
C17 O1 Zn1 111.8(2) . .
C17 O2 Zn2 125.0(2) . .
C12 O3 Zn2 128.0(2) . .
C24 O5 Zn2 123.3(2) . 2_656
C24 O4 Zn1 109.6(3) . .
C19 O6 Zn2 126.7(2) . 2_656
Zn1 O1W H1A 118(3) . .
Zn1 O1W H1B 116(2) . .
H1A O1W H1B 109(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O1 1.951(2) .
Zn1 O4 1.980(2) .
Zn1 N1 1.997(3) .
Zn1 O1W 2.004(2) .
Zn2 O3 1.959(2) .
Zn2 O6 1.978(2) 2_646
Zn2 N3 2.002(3) .
Zn2 O2 2.065(2) .
Zn2 O5 2.077(2) 2_646
C1 N1 1.307(4) .
C1 N2 1.331(4) .
C1 H1 0.9300 .
C2 C3 1.333(5) .
C2 N2 1.361(5) .
C2 H2 0.9300 .
C3 N1 1.367(4) .
C3 H3 0.9300 .
C4 N2 1.450(5) .
C4 C5 1.518(5) .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C5 C5 1.503(6) 3_867
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C6 N3 1.299(5) .
C6 N4 1.353(6) .
C6 H6 0.9300 .
C7 N4 1.283(7) .
C7 C8 1.348(7) .
C7 H7 0.9300 .
C8 N3 1.349(6) .
C8 H8 0.9300 .
C9 N4 1.445(6) .
C9 C10 1.651(8) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C10 1.506(9) 3_757
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 C16 1.382(4) .
C11 C12 1.423(5) .
C11 C17 1.480(5) .
C12 O3 1.319(4) .
C12 C13 1.409(5) .
C13 C14 1.360(5) .
C13 H13 0.9300 .
C14 C15 1.375(5) .
C14 Cl1 1.741(4) .
C15 C16 1.372(5) .
C15 H15 0.9300 .
C16 H16 0.9300 .
C17 O1 1.264(4) .
C17 O2 1.270(4) .
C18 C23 1.400(5) .
C18 C19 1.409(5) .
C18 C24 1.494(5) .
C19 O6 1.321(4) .
C19 C20 1.412(4) .
C20 C21 1.352(5) .
C20 H20 0.9300 .
C21 C22 1.391(5) .
C21 Cl2 1.743(3) .
C22 C23 1.379(4) .
C22 H22 0.9300 .
C23 H23 0.9300 .
C24 O4 1.258(4) .
C24 O5 1.263(4) .
O5 Zn2 2.077(2) 2_656
O6 Zn2 1.978(2) 2_656
O1W H1A 0.81(4) .
O1W H1B 0.93(4) .
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
O1W H1B O2 0.93(4) 2.57(4) 2.952(3) 105(3) .
O1W H1A O3 0.81(4) 1.87(4) 2.681(3) 172(4) 2_656
O1W H1B O6 0.93(4) 1.79(4) 2.709(3) 169(4) 2_646
C1 H1 Cl2 0.93 2.93 3.782(4) 153.8 2_746
C4 H4B Cl1 0.97 2.91 3.453(4) 116.2 2_756
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
N2 C2 C3 N1 -0.3(5) . .
N2 C4 C5 C5 69.1(5) . 3_867
N4 C7 C8 N3 1.7(7) . .
N4 C9 C10 C10 -56.9(10) . 3_757
C16 C11 C12 O3 178.7(4) . .
C17 C11 C12 O3 -1.7(6) . .
C16 C11 C12 C13 -2.6(5) . .
C17 C11 C12 C13 177.0(3) . .
O3 C12 C13 C14 179.8(3) . .
C11 C12 C13 C14 1.0(5) . .
C12 C13 C14 C15 1.8(6) . .
C12 C13 C14 Cl1 -175.3(3) . .
C13 C14 C15 C16 -2.7(6) . .
Cl1 C14 C15 C16 174.3(3) . .
C14 C15 C16 C11 1.0(6) . .
C12 C11 C16 C15 1.7(6) . .
C17 C11 C16 C15 -177.9(4) . .
C16 C11 C17 O1 21.1(5) . .
C12 C11 C17 O1 -158.5(3) . .
C16 C11 C17 O2 -158.3(4) . .
C12 C11 C17 O2 22.2(6) . .
C23 C18 C19 O6 180.0(3) . .
C24 C18 C19 O6 0.1(5) . .
C23 C18 C19 C20 0.5(5) . .
C24 C18 C19 C20 -179.4(3) . .
O6 C19 C20 C21 -178.2(3) . .
C18 C19 C20 C21 1.3(5) . .
C19 C20 C21 C22 -1.7(6) . .
C19 C20 C21 Cl2 176.1(2) . .
C20 C21 C22 C23 0.2(5) . .
Cl2 C21 C22 C23 -177.6(3) . .
C21 C22 C23 C18 1.7(5) . .
C19 C18 C23 C22 -2.1(5) . .
C24 C18 C23 C22 177.9(3) . .
C23 C18 C24 O4 16.8(5) . .
C19 C18 C24 O4 -163.3(3) . .
C23 C18 C24 O5 -163.0(3) . .
C19 C18 C24 O5 16.9(5) . .
N2 C1 N1 C3 0.7(4) . .
N2 C1 N1 Zn1 172.9(2) . .
C2 C3 N1 C1 -0.2(4) . .
C2 C3 N1 Zn1 -172.6(3) . .
O1 Zn1 N1 C1 101.0(3) . .
O4 Zn1 N1 C1 -20.5(3) . .
O1W Zn1 N1 C1 -135.7(3) . .
O1 Zn1 N1 C3 -88.4(3) . .
O4 Zn1 N1 C3 150.0(3) . .
O1W Zn1 N1 C3 34.9(3) . .
N1 C1 N2 C2 -0.9(4) . .
N1 C1 N2 C4 -179.8(3) . .
C3 C2 N2 C1 0.7(4) . .
C3 C2 N2 C4 179.6(3) . .
C5 C4 N2 C1 -116.3(4) . .
C5 C4 N2 C2 65.0(5) . .
N4 C6 N3 C8 1.0(5) . .
N4 C6 N3 Zn2 -176.6(3) . .
C7 C8 N3 C6 -1.7(6) . .
C7 C8 N3 Zn2 176.0(4) . .
O3 Zn2 N3 C6 -89.1(3) . .
O6 Zn2 N3 C6 86.3(4) 2_646 .
O2 Zn2 N3 C6 177.4(3) . .
O5 Zn2 N3 C6 -0.7(3) 2_646 .
O3 Zn2 N3 C8 93.7(4) . .
O6 Zn2 N3 C8 -90.9(4) 2_646 .
O2 Zn2 N3 C8 0.3(4) . .
O5 Zn2 N3 C8 -177.9(4) 2_646 .
C8 C7 N4 C6 -1.1(7) . .
C8 C7 N4 C9 178.4(4) . .
N3 C6 N4 C7 0.0(6) . .
N3 C6 N4 C9 -179.4(4) . .
C10 C9 N4 C7 -39.8(8) . .
C10 C9 N4 C6 139.6(5) . .
O2 C17 O1 Zn1 -6.5(4) . .
C11 C17 O1 Zn1 174.1(3) . .
O4 Zn1 O1 C17 -177.2(2) . .
N1 Zn1 O1 C17 72.8(3) . .
O1W Zn1 O1 C17 -45.6(3) . .
O1 C17 O2 Zn2 145.7(3) . .
C11 C17 O2 Zn2 -34.9(5) . .
O3 Zn2 O2 C17 24.8(3) . .
O6 Zn2 O2 C17 -95.0(3) 2_646 .
N3 Zn2 O2 C17 140.6(3) . .
O5 Zn2 O2 C17 -54.4(8) 2_646 .
C13 C12 O3 Zn2 178.4(2) . .
C11 C12 O3 Zn2 -2.9(5) . .
O6 Zn2 O3 C12 81.0(3) 2_646 .
N3 Zn2 O3 C12 -103.3(3) . .
O2 Zn2 O3 C12 -5.5(3) . .
O5 Zn2 O3 C12 167.5(3) 2_646 .
O4 C24 O5 Zn2 139.1(3) . 2_656
C18 C24 O5 Zn2 -41.1(4) . 2_656
O5 C24 O4 Zn1 -7.1(4) . .
C18 C24 O4 Zn1 173.1(2) . .
O1 Zn1 O4 C24 80.3(2) . .
N1 Zn1 O4 C24 -158.0(2) . .
O1W Zn1 O4 C24 -51.1(3) . .
C18 C19 O6 Zn2 10.6(5) . 2_656
C20 C19 O6 Zn2 -169.9(2) . 2_656
