#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:35:39 +0100 (Fri 25 de Mar de 2016) $
#$Revision: 179926 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/21/7022178.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_7022178
loop_
_publ_author_name
'Du, Peng'
'Yang, Yan'
'Yang, Jin'
'Liu, Bing-Kun'
'Ma, Jian-Fang'
_publ_section_title
;
 Syntheses, structures, photoluminescence, photocatalysis, and
 photoelectronic effects of 3D mixed high-connected metal-organic
 frameworks based on octanuclear and dodecanuclear secondary building
 units.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1567
_journal_page_last               1580
_journal_paper_doi               10.1039/c2dt31964k
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety         'C48 H30 N3 O17.5 Zn4'
_chemical_formula_sum            'C48 H27 N3 O17.5 Zn4'
_chemical_formula_weight         1190.40
_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                98.097(5)
_cell_angle_beta                 106.765(5)
_cell_angle_gamma                95.065(5)
_cell_formula_units_Z            2
_cell_length_a                   10.5230(6)
_cell_length_b                   14.4480(10)
_cell_length_c                   15.8440(9)
_cell_measurement_reflns_used    2319
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.0786
_cell_measurement_theta_min      2.8587
_cell_volume                     2262.3(3)
_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, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.2375
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_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     0.71069
_diffrn_reflns_av_R_equivalents  0.0581
_diffrn_reflns_av_sigmaI/netI    0.1136
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            14743
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.86
_exptl_absorpt_coefficient_mu    2.178
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.97808
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis (Oxford Diffraction, 2006)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.743
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1192
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.606
_refine_diff_density_min         -0.607
_refine_diff_density_rms         0.106
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     670
_refine_ls_number_reflns         7953
_refine_ls_number_restraints     54
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.1138
_refine_ls_R_factor_gt           0.0597
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0315P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0954
_refine_ls_wR_factor_ref         0.1144
_reflns_number_gt                5040
_reflns_number_total             7953
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c2dt31964k.txt
_cod_data_source_block           Compound-4
_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        2262.3(2)
_cod_original_sg_symbol_H-M      p-1
_cod_database_code               7022178
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 -0.33470(6) 0.46702(5) 0.73817(5) 0.0296(2) Uani 1 1 d .
Zn2 Zn -0.44802(7) 0.31180(5) 0.80487(5) 0.0331(2) Uani 1 1 d .
Zn3 Zn -0.10722(6) 0.41926(5) 0.92500(4) 0.02578(19) Uani 1 1 d .
Zn4 Zn 0.11332(6) 0.33787(5) 1.08642(5) 0.0315(2) Uani 1 1 d .
C1 C 0.0399(5) 0.5174(4) 0.7125(4) 0.0236(14) Uani 1 1 d .
C2 C 0.1619(5) 0.4845(4) 0.7423(4) 0.0255(14) Uani 1 1 d .
H2 H 0.1762 0.4480 0.7873 0.031 Uiso 1 1 calc R
C3 C 0.2625(5) 0.5061(4) 0.7050(4) 0.0241(14) Uani 1 1 d .
C4 C 0.2395(5) 0.5592(4) 0.6381(4) 0.0290(15) Uani 1 1 d .
H4 H 0.3077 0.5751 0.6141 0.035 Uiso 1 1 calc R
C5 C 0.1149(6) 0.5896(5) 0.6056(4) 0.0330(16) Uani 1 1 d .
C6 C 0.0161(5) 0.5694(4) 0.6436(4) 0.0281(15) Uani 1 1 d .
H6 H -0.0665 0.5905 0.6232 0.034 Uiso 1 1 calc R
C7 C -0.0642(6) 0.4981(4) 0.7574(4) 0.0296(16) Uani 1 1 d .
C8 C 0.3955(5) 0.4712(4) 0.7396(4) 0.0246(14) Uani 1 1 d .
C9 C -0.0171(6) 0.6699(5) 0.4956(4) 0.0369(17) Uani 1 1 d .
H9A H -0.0487 0.7082 0.5387 0.044 Uiso 1 1 calc R
H9B H -0.0836 0.6150 0.4672 0.044 Uiso 1 1 calc R
C10 C 0.0030(6) 0.7259(4) 0.4263(4) 0.0309(15) Uani 1 1 d .
C11 C 0.1217(6) 0.7324(5) 0.4048(4) 0.0356(16) Uani 1 1 d .
H11 H 0.1898 0.6993 0.4316 0.043 Uiso 1 1 calc R
C12 C 0.1392(6) 0.7881(5) 0.3436(4) 0.0356(16) Uani 1 1 d .
H12 H 0.2200 0.7922 0.3307 0.043 Uiso 1 1 calc R
C13 C 0.0409(6) 0.8379(4) 0.3011(4) 0.0298(15) Uani 1 1 d .
C14 C -0.0806(6) 0.8275(5) 0.3214(4) 0.0414(18) Uani 1 1 d .
H14 H -0.1507 0.8582 0.2931 0.050 Uiso 1 1 calc R
C15 C -0.0969(6) 0.7730(5) 0.3821(5) 0.0437(18) Uani 1 1 d .
H15 H -0.1785 0.7675 0.3941 0.052 Uiso 1 1 calc R
C16 C 0.0658(6) 0.9020(4) 0.2417(4) 0.0346(16) Uani 1 1 d .
C17 C 0.1457(6) 0.8846(5) 0.1848(4) 0.0348(16) Uani 1 1 d .
C18 C 0.1726(7) 0.9508(5) 0.1370(5) 0.054(2) Uani 1 1 d .
H18 H 0.2289 0.9388 0.1022 0.064 Uiso 1 1 calc R
C19 C 0.1201(8) 1.0351(5) 0.1377(6) 0.065(2) Uani 1 1 d .
H19 H 0.1373 1.0780 0.1024 0.077 Uiso 1 1 calc R
C20 C 0.0415(7) 1.0536(5) 0.1923(5) 0.058(2) Uani 1 1 d .
H20 H 0.0057 1.1101 0.1949 0.069 Uiso 1 1 calc R
C21 C 0.0156(7) 0.9890(5) 0.2431(4) 0.0435(18) Uani 1 1 d .
H21 H -0.0372 1.0034 0.2799 0.052 Uiso 1 1 calc R
C22 C 0.1965(7) 0.7900(4) 0.1687(4) 0.0313(15) Uani 1 1 d .
C23 C 0.5124(5) 0.3119(4) 1.1374(4) 0.0244(14) Uani 1 1 d .
C24 C 0.5307(6) 0.2481(5) 1.1959(4) 0.0370(17) Uani 1 1 d .
H24 H 0.4623 0.2301 1.2190 0.044 Uiso 1 1 calc R
C25 C 0.6505(6) 0.2109(5) 1.2205(4) 0.0391(17) Uani 1 1 d .
C26 C 0.7530(6) 0.2390(4) 1.1858(4) 0.0316(16) Uani 1 1 d .
H26 H 0.8345 0.2157 1.2032 0.038 Uiso 1 1 calc R
C27 C 0.7344(5) 0.3006(4) 1.1267(4) 0.0212(13) Uani 1 1 d .
C28 C 0.6143(5) 0.3369(4) 1.1017(4) 0.0252(14) Uani 1 1 d .
H28 H 0.6017 0.3782 1.0609 0.030 Uiso 1 1 calc R
C29 C 0.3849(6) 0.3547(5) 1.1130(4) 0.0298(15) Uani 1 1 d .
C30 C 0.8450(6) 0.3305(4) 1.0888(4) 0.0275(15) Uani 1 1 d .
C31 C 0.6539(17) 0.1562(11) 1.3569(11) 0.053(4) Uiso 0.50 1 d P
C31' C 0.5786(18) 0.1449(12) 1.3332(11) 0.061(5) Uiso 0.50 1 d P
C32 C 0.6298(12) 0.0593(6) 1.3830(6) 0.069(3) Uani 1 1 d .
C33 C 0.5168(9) 0.0000(6) 1.3718(5) 0.056(2) Uani 1 1 d .
H33 H 0.4355 0.0122 1.3355 0.067 Uiso 1 1 calc R
C34 C 0.5197(7) -0.0775(5) 1.4128(4) 0.0426(18) Uani 1 1 d .
H34 H 0.4398 -0.1157 1.4046 0.051 Uiso 1 1 calc R
C35 C 0.6375(7) -0.1007(4) 1.4660(4) 0.0350(16) Uani 1 1 d .
C36 C 0.7546(7) -0.0414(5) 1.4765(5) 0.050(2) Uani 1 1 d .
H36 H 0.8364 -0.0551 1.5108 0.060 Uiso 1 1 calc R
C37 C 0.7501(10) 0.0389(6) 1.4356(6) 0.069(3) Uani 1 1 d .
H37 H 0.8287 0.0787 1.4440 0.083 Uiso 1 1 calc R
C38 C 0.6389(6) -0.1809(5) 1.5140(4) 0.0332(16) Uani 1 1 d .
C39 C 0.5590(6) -0.2685(5) 1.4785(4) 0.0361(16) Uani 1 1 d .
C40 C 0.5561(8) -0.3348(5) 1.5334(5) 0.056(2) Uani 1 1 d .
H40 H 0.4993 -0.3915 1.5101 0.067 Uiso 1 1 calc R
C41 C 0.6335(9) -0.3198(6) 1.6201(5) 0.067(2) Uani 1 1 d .
H41 H 0.6303 -0.3657 1.6553 0.081 Uiso 1 1 calc R
C42 C 0.7162(8) -0.2363(6) 1.6552(5) 0.062(2) Uani 1 1 d .
H42 H 0.7722 -0.2261 1.7139 0.074 Uiso 1 1 calc R
C43 C 0.7163(7) -0.1681(5) 1.6038(4) 0.0482(19) Uani 1 1 d .
H43 H 0.7703 -0.1107 1.6296 0.058 Uiso 1 1 calc R
C44 C 0.4845(6) -0.2982(5) 1.3811(4) 0.0360(17) Uani 1 1 d .
C45 C -0.5689(7) 0.1394(5) 0.8500(5) 0.051(2) Uani 1 1 d .
H45 H -0.5221 0.1012 0.8210 0.061 Uiso 1 1 calc R
C46 C -0.6472(7) 0.2561(5) 0.8984(5) 0.055(2) Uani 1 1 d .
H46 H -0.6660 0.3174 0.9104 0.066 Uiso 1 1 calc R
C47' C -0.694(3) 0.000(2) 0.8772(17) 0.103(4) Uani 0.50 1 d PU
C47 C -0.699(3) 0.018(2) 0.9145(18) 0.101(4) Uani 0.50 1 d PU
C48 C -0.6227(15) -0.0100(10) 0.9778(10) 0.132(4) Uani 1 1 d U
O1 O -0.1747(4) 0.5299(3) 0.7279(3) 0.0433(12) Uani 1 1 d .
O2 O -0.0379(4) 0.4540(3) 0.8212(3) 0.0396(12) Uani 1 1 d .
O3 O 0.4095(4) 0.4152(3) 0.7927(3) 0.0323(10) Uani 1 1 d .
O4 O 0.4882(4) 0.5051(3) 0.7094(3) 0.0327(10) Uani 1 1 d .
O5 O 0.1065(4) 0.6413(3) 0.5391(3) 0.0485(13) Uani 1 1 d .
O6 O 0.3195(4) 0.7893(3) 0.1913(3) 0.0431(12) Uani 1 1 d .
O7 O 0.1061(4) 0.7225(3) 0.1273(3) 0.0377(11) Uani 1 1 d .
O8 O 0.2972(4) 0.3303(3) 1.1516(3) 0.0433(12) Uani 1 1 d .
O9 O 0.3694(4) 0.4091(3) 1.0589(3) 0.0388(11) Uani 1 1 d .
O10 O 0.8187(4) 0.3759(3) 1.0275(3) 0.0368(11) Uani 1 1 d .
O11 O 0.9585(4) 0.3042(3) 1.1249(3) 0.0329(10) Uani 1 1 d .
O12 O 0.6717(5) 0.1427(4) 1.2741(4) 0.0653(15) Uani 1 1 d .
O13 O 0.5346(4) -0.2700(3) 1.3254(3) 0.0389(11) Uani 1 1 d .
O14 O 0.3778(4) -0.3564(3) 1.3599(3) 0.0437(13) Uani 1 1 d .
O15 O 0.0867(3) 0.4354(3) 1.0116(2) 0.0241(9) Uani 1 1 d .
O16 O -0.3059(4) 0.4217(3) 0.8547(3) 0.0246(10) Uani 1 1 d .
O17 O -0.5196(16) 0.0186(10) 1.0293(9) 0.095(3) Uani 0.50 1 d PU
N1 N -0.6530(6) 0.1082(4) 0.8883(4) 0.0593(18) Uani 1 1 d .
N2 N -0.7068(6) 0.1825(5) 0.9205(4) 0.0591(18) Uani 1 1 d .
N3 N -0.5576(5) 0.2331(4) 0.8572(4) 0.0381(14) Uani 1 1 d .
O1W O 0.0895(4) 0.2177(3) 0.9934(3) 0.0480(13) Uani 1 1 d .
H16O H -0.347(8) 0.456(5) 0.873(5) 0.08(3) 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'
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 128.50(19) . 1_455
O1 Zn1 O14 102.16(17) . 2_557
O4 Zn1 O14 96.62(16) 1_455 2_557
O1 Zn1 O16 112.41(18) . .
O4 Zn1 O16 105.64(17) 1_455 .
O14 Zn1 O16 109.05(19) 2_557 .
O1 Zn1 Zn2 145.10(14) . .
O4 Zn1 Zn2 86.12(13) 1_455 .
O14 Zn1 Zn2 74.17(14) 2_557 .
O16 Zn1 Zn2 42.71(11) . .
N3 Zn2 O13 102.6(2) . 2_557
N3 Zn2 O16 134.02(19) . .
O13 Zn2 O16 122.63(18) 2_557 .
N3 Zn2 O6 89.8(2) . 2_566
O13 Zn2 O6 91.65(17) 2_557 2_566
O16 Zn2 O6 96.05(17) . 2_566
N3 Zn2 O3 90.54(19) . 1_455
O13 Zn2 O3 85.03(16) 2_557 1_455
O16 Zn2 O3 86.12(16) . 1_455
O6 Zn2 O3 176.66(16) 2_566 1_455
N3 Zn2 Zn1 163.74(15) . .
O13 Zn2 Zn1 80.22(14) 2_557 .
O16 Zn2 Zn1 43.08(12) . .
O6 Zn2 Zn1 106.23(13) 2_566 .
O3 Zn2 Zn1 73.66(11) 1_455 .
O16 Zn3 O15 169.95(14) . .
O16 Zn3 O2 93.40(16) . .
O15 Zn3 O2 91.59(16) . .
O16 Zn3 O7 94.81(16) . 2_566
O15 Zn3 O7 94.17(15) . 2_566
O2 Zn3 O7 86.85(17) . 2_566
O16 Zn3 O10 86.01(16) . 1_455
O15 Zn3 O10 89.46(15) . 1_455
O2 Zn3 O10 176.85(17) . 1_455
O7 Zn3 O10 90.11(17) 2_566 1_455
O16 Zn3 O15 91.40(15) . 2_567
O15 Zn3 O15 79.58(15) . 2_567
O2 Zn3 O15 93.55(16) . 2_567
O7 Zn3 O15 173.74(15) 2_566 2_567
O10 Zn3 O15 89.56(15) 1_455 2_567
O8 Zn4 O11 125.37(18) . 1_455
O8 Zn4 O15 115.78(18) . .
O11 Zn4 O15 112.77(16) 1_455 .
O8 Zn4 O1W 95.71(18) . .
O11 Zn4 O1W 97.29(17) 1_455 .
O15 Zn4 O1W 102.10(17) . .
C2 C1 C6 120.5(5) . .
C2 C1 C7 118.8(6) . .
C6 C1 C7 120.7(5) . .
C1 C2 C3 119.8(6) . .
C1 C2 H2 120.1 . .
C3 C2 H2 120.1 . .
C4 C3 C2 119.5(5) . .
C4 C3 C8 121.5(5) . .
C2 C3 C8 119.0(6) . .
C3 C4 C5 120.8(5) . .
C3 C4 H4 119.6 . .
C5 C4 H4 119.6 . .
O5 C5 C6 126.1(6) . .
O5 C5 C4 114.3(5) . .
C6 C5 C4 119.5(6) . .
C5 C6 C1 119.8(5) . .
C5 C6 H6 120.1 . .
C1 C6 H6 120.1 . .
O2 C7 O1 124.3(5) . .
O2 C7 C1 119.0(6) . .
O1 C7 C1 116.6(6) . .
O3 C8 O4 125.2(5) . .
O3 C8 C3 120.4(5) . .
O4 C8 C3 114.4(6) . .
O5 C9 C10 108.5(5) . .
O5 C9 H9A 110.0 . .
C10 C9 H9A 110.0 . .
O5 C9 H9B 110.0 . .
C10 C9 H9B 110.0 . .
H9A C9 H9B 108.4 . .
C15 C10 C11 117.7(6) . .
C15 C10 C9 120.6(5) . .
C11 C10 C9 121.7(6) . .
C10 C11 C12 120.2(6) . .
C10 C11 H11 119.9 . .
C12 C11 H11 119.9 . .
C13 C12 C11 122.4(6) . .
C13 C12 H12 118.8 . .
C11 C12 H12 118.8 . .
C12 C13 C14 116.5(6) . .
C12 C13 C16 121.2(5) . .
C14 C13 C16 122.3(6) . .
C15 C14 C13 120.9(6) . .
C15 C14 H14 119.6 . .
C13 C14 H14 119.6 . .
C14 C15 C10 122.3(6) . .
C14 C15 H15 118.8 . .
C10 C15 H15 118.8 . .
C21 C16 C17 115.9(6) . .
C21 C16 C13 120.2(5) . .
C17 C16 C13 123.8(6) . .
C18 C17 C16 120.3(6) . .
C18 C17 C22 117.2(5) . .
C16 C17 C22 122.4(6) . .
C17 C18 C19 123.0(7) . .
C17 C18 H18 118.5 . .
C19 C18 H18 118.5 . .
C20 C19 C18 117.8(8) . .
C20 C19 H19 121.1 . .
C18 C19 H19 121.1 . .
C21 C20 C19 120.4(7) . .
C21 C20 H20 119.8 . .
C19 C20 H20 119.8 . .
C20 C21 C16 122.6(6) . .
C20 C21 H21 118.7 . .
C16 C21 H21 118.7 . .
O6 C22 O7 127.7(6) . .
O6 C22 C17 117.7(5) . .
O7 C22 C17 114.4(6) . .
C24 C23 C28 119.4(5) . .
C24 C23 C29 120.6(5) . .
C28 C23 C29 120.0(6) . .
C23 C24 C25 120.4(5) . .
C23 C24 H24 119.8 . .
C25 C24 H24 119.8 . .
O12 C25 C24 123.1(6) . .
O12 C25 C26 117.5(6) . .
C24 C25 C26 119.3(6) . .
C27 C26 C25 120.5(6) . .
C27 C26 H26 119.8 . .
C25 C26 H26 119.8 . .
C26 C27 C28 120.1(5) . .
C26 C27 C30 120.4(5) . .
C28 C27 C30 119.5(6) . .
C27 C28 C23 120.3(6) . .
C27 C28 H28 119.8 . .
C23 C28 H28 119.8 . .
O9 C29 O8 124.5(6) . .
O9 C29 C23 119.4(5) . .
O8 C29 C23 116.1(6) . .
O10 C30 O11 126.6(5) . .
O10 C30 C27 118.3(5) . .
O11 C30 C27 115.1(6) . .
C31' C31 O12 87(2) . .
C31' C31 C32 81(2) . .
O12 C31 C32 108.4(10) . .
C31 C31' O12 62.8(18) . .
C31 C31' C32 71(2) . .
O12 C31' C32 96.9(10) . .
C33 C32 C37 118.4(8) . .
C33 C32 C31 132.5(11) . .
C37 C32 C31 108.6(11) . .
C33 C32 C31' 104.7(11) . .
C37 C32 C31' 136.7(11) . .
C31 C32 C31' 28.0(7) . .
C32 C33 C34 121.4(8) . .
C32 C33 H33 119.3 . .
C34 C33 H33 119.3 . .
C33 C34 C35 122.2(7) . .
C33 C34 H34 118.9 . .
C35 C34 H34 118.9 . .
C34 C35 C36 116.9(7) . .
C34 C35 C38 121.8(6) . .
C36 C35 C38 121.2(6) . .
C35 C36 C37 120.4(8) . .
C35 C36 H36 119.8 . .
C37 C36 H36 119.8 . .
C32 C37 C36 120.6(8) . .
C32 C37 H37 119.7 . .
C36 C37 H37 119.7 . .
C43 C38 C39 116.3(7) . .
C43 C38 C35 118.8(6) . .
C39 C38 C35 124.7(6) . .
C40 C39 C38 119.7(6) . .
C40 C39 C44 117.2(6) . .
C38 C39 C44 122.9(6) . .
C41 C40 C39 122.1(7) . .
C41 C40 H40 119.0 . .
C39 C40 H40 119.0 . .
C40 C41 C42 119.3(8) . .
C40 C41 H41 120.3 . .
C42 C41 H41 120.3 . .
C43 C42 C41 119.8(7) . .
C43 C42 H42 120.1 . .
C41 C42 H42 120.1 . .
C42 C43 C38 122.8(7) . .
C42 C43 H43 118.6 . .
C38 C43 H43 118.6 . .
O13 C44 O14 123.6(6) . .
O13 C44 C39 118.6(6) . .
O14 C44 C39 117.6(6) . .
N1 C45 N3 111.6(6) . .
N1 C45 H45 124.2 . .
N3 C45 H45 124.2 . .
N2 C46 N3 113.1(6) . .
N2 C46 H46 123.5 . .
N3 C46 H46 123.5 . .
C47 C47' N1 74(5) . .
C47 C47' C48 46(4) . .
N1 C47' C48 97.3(15) . .
C47' C47 C48 113(6) . .
C47' C47 N1 83(5) . .
C48 C47 N1 119(2) . .
O17 C48 C47 136(2) . .
O17 C48 O17 50.2(12) . 2_457
C47 C48 O17 114.9(18) . 2_457
O17 C48 C47' 134.7(17) . .
C47 C48 C47' 21.5(18) . .
O17 C48 C47' 98.1(13) 2_457 .
C7 O1 Zn1 119.5(4) . .
C7 O2 Zn3 142.1(4) . .
C8 O3 Zn2 124.8(3) . 1_655
C8 O4 Zn1 122.9(4) . 1_655
C5 O5 C9 119.9(5) . .
C22 O6 Zn2 136.5(4) . 2_566
C22 O7 Zn3 133.9(4) . 2_566
C29 O8 Zn4 115.3(4) . .
C30 O10 Zn3 142.0(4) . 1_655
C30 O11 Zn4 121.0(4) . 1_655
C31 O12 C25 121.2(9) . .
C31 O12 C31' 29.8(8) . .
C25 O12 C31' 111.1(8) . .
C44 O13 Zn2 121.3(4) . 2_557
C44 O14 Zn1 123.1(4) . 2_557
Zn4 O15 Zn3 112.35(17) . .
Zn4 O15 Zn3 118.90(17) . 2_567
Zn3 O15 Zn3 100.42(15) . 2_567
Zn2 O16 Zn1 94.21(16) . .
Zn2 O16 Zn3 126.8(2) . .
Zn1 O16 Zn3 114.81(18) . .
Zn2 O16 H16O 98(6) . .
Zn1 O16 H16O 95(6) . .
Zn3 O16 H16O 120(6) . .
C48 O17 O17 82.3(16) . 2_457
C48 O17 C48 129.8(12) . 2_457
O17 O17 C48 47.5(11) 2_457 2_457
C45 N1 N2 108.5(6) . .
C45 N1 C47 139.5(12) . .
N2 N1 C47 111.8(12) . .
C45 N1 C47' 119.6(11) . .
N2 N1 C47' 130.9(12) . .
C47 N1 C47' 23.8(13) . .
C46 N2 N1 103.7(6) . .
C46 N3 C45 103.0(6) . .
C46 N3 Zn2 130.2(5) . .
C45 N3 Zn2 126.4(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O1 1.902(4) .
Zn1 O4 1.935(4) 1_455
Zn1 O14 1.985(4) 2_557
Zn1 O16 1.995(4) .
Zn1 Zn2 2.9138(11) .
Zn2 N3 1.973(5) .
Zn2 O13 1.981(4) 2_557
Zn2 O16 1.982(4) .
Zn2 O6 2.072(4) 2_566
Zn2 O3 2.197(4) 1_455
Zn3 O16 2.073(4) .
Zn3 O15 2.076(4) .
Zn3 O2 2.086(4) .
Zn3 O7 2.101(4) 2_566
Zn3 O10 2.138(4) 1_455
Zn3 O15 2.160(3) 2_567
Zn4 O8 1.934(4) .
Zn4 O11 1.944(4) 1_455
Zn4 O15 1.954(4) .
Zn4 O1W 2.059(4) .
C1 C2 1.385(7) .
C1 C6 1.387(8) .
C1 C7 1.496(7) .
C2 C3 1.386(7) .
C2 H2 0.9300 .
C3 C4 1.373(8) .
C3 C8 1.508(8) .
C4 C5 1.398(8) .
C4 H4 0.9300 .
C5 O5 1.362(8) .
C5 C6 1.373(8) .
C6 H6 0.9300 .
C7 O2 1.247(8) .
C7 O1 1.274(7) .
C8 O3 1.234(7) .
C8 O4 1.294(7) .
C9 O5 1.413(7) .
C9 C10 1.503(9) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C15 1.377(9) .
C10 C11 1.384(8) .
C11 C12 1.385(9) .
C11 H11 0.9300 .
C12 C13 1.380(8) .
C12 H12 0.9300 .
C13 C14 1.406(8) .
C13 C16 1.469(9) .
C14 C15 1.363(9) .
C14 H14 0.9300 .
C15 H15 0.9300 .
C16 C21 1.405(9) .
C16 C17 1.412(8) .
C17 C18 1.360(9) .
C17 C22 1.526(8) .
C18 C19 1.381(10) .
C18 H18 0.9300 .
C19 C20 1.375(10) .
C19 H19 0.9300 .
C20 C21 1.372(10) .
C20 H20 0.9300 .
C21 H21 0.9300 .
C22 O6 1.241(7) .
C22 O7 1.258(7) .
C23 C24 1.384(9) .
C23 C28 1.393(7) .
C23 C29 1.499(8) .
C24 C25 1.388(8) .
C24 H24 0.9300 .
C25 O12 1.382(8) .
C25 C26 1.399(8) .
C26 C27 1.367(8) .
C26 H26 0.9300 .
C27 C28 1.383(7) .
C27 C30 1.513(8) .
C28 H28 0.9300 .
C29 O9 1.230(7) .
C29 O8 1.296(7) .
C30 O10 1.226(7) .
C30 O11 1.283(7) .
C31 C31' 0.764(19) .
C31 O12 1.368(16) .
C31 C32 1.534(19) .
C31' O12 1.538(17) .
C31' C32 1.61(2) .
C32 C33 1.354(11) .
C32 C37 1.382(12) .
C33 C34 1.370(10) .
C33 H33 0.9300 .
C34 C35 1.382(9) .
C34 H34 0.9300 .
C35 C36 1.391(9) .
C35 C38 1.471(9) .
C36 C37 1.404(11) .
C36 H36 0.9300 .
C37 H37 0.9300 .
C38 C43 1.398(9) .
C38 C39 1.401(8) .
C39 C40 1.386(10) .
C39 C44 1.496(9) .
C40 C41 1.354(10) .
C40 H40 0.9300 .
C41 C42 1.366(10) .
C41 H41 0.9300 .
C42 C43 1.364(10) .
C42 H42 0.9300 .
C43 H43 0.9300 .
C44 O13 1.246(7) .
C44 O14 1.271(7) .
C45 N1 1.292(8) .
C45 N3 1.334(8) .
C45 H45 0.9300 .
C46 N2 1.326(9) .
C46 N3 1.332(7) .
C46 H46 0.9300 .
C47' C47 0.63(3) .
C47' N1 1.55(3) .
C47' C48 1.59(3) .
C47 C48 1.24(3) .
C47 N1 1.50(3) .
C48 O17 1.153(17) .
C48 O17 1.548(19) 2_457
O3 Zn2 2.197(4) 1_655
O4 Zn1 1.935(4) 1_655
O6 Zn2 2.072(4) 2_566
O7 Zn3 2.101(4) 2_566
O10 Zn3 2.138(4) 1_655
O11 Zn4 1.944(4) 1_655
O13 Zn2 1.981(4) 2_557
O14 Zn1 1.985(4) 2_557
O15 Zn3 2.160(3) 2_567
O16 H16O 0.76(7) .
O17 O17 1.20(2) 2_457
O17 C48 1.548(19) 2_457
N1 N2 1.362(8) .
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
O1 Zn1 Zn2 N3 143.3(6) . .
O4 Zn1 Zn2 N3 -30.0(6) 1_455 .
O14 Zn1 Zn2 N3 -128.1(6) 2_557 .
O16 Zn1 Zn2 N3 88.1(6) . .
O1 Zn1 Zn2 O13 -115.0(3) . 2_557
O4 Zn1 Zn2 O13 71.64(17) 1_455 2_557
O14 Zn1 Zn2 O13 -26.37(18) 2_557 2_557
O16 Zn1 Zn2 O13 -170.2(2) . 2_557
O1 Zn1 Zn2 O16 55.2(3) . .
O4 Zn1 Zn2 O16 -118.1(2) 1_455 .
O14 Zn1 Zn2 O16 143.8(2) 2_557 .
O1 Zn1 Zn2 O6 -26.1(3) . 2_566
O4 Zn1 Zn2 O6 160.51(17) 1_455 2_566
O14 Zn1 Zn2 O6 62.50(18) 2_557 2_566
O16 Zn1 Zn2 O6 -81.3(2) . 2_566
O1 Zn1 Zn2 O3 157.3(3) . 1_455
O4 Zn1 Zn2 O3 -16.01(15) 1_455 1_455
O14 Zn1 Zn2 O3 -114.01(17) 2_557 1_455
O16 Zn1 Zn2 O3 102.1(2) . 1_455
C6 C1 C2 C3 2.0(7) . .
C7 C1 C2 C3 -176.5(5) . .
C1 C2 C3 C4 -0.6(8) . .
C1 C2 C3 C8 178.8(4) . .
C2 C3 C4 C5 -1.7(8) . .
C8 C3 C4 C5 178.8(5) . .
C3 C4 C5 O5 -179.8(5) . .
C3 C4 C5 C6 2.7(8) . .
O5 C5 C6 C1 -178.5(5) . .
C4 C5 C6 C1 -1.3(8) . .
C2 C1 C6 C5 -1.0(8) . .
C7 C1 C6 C5 177.4(5) . .
C2 C1 C7 O2 1.0(8) . .
C6 C1 C7 O2 -177.5(5) . .
C2 C1 C7 O1 179.8(5) . .
C6 C1 C7 O1 1.3(7) . .
C4 C3 C8 O3 -172.1(5) . .
C2 C3 C8 O3 8.4(7) . .
C4 C3 C8 O4 8.2(7) . .
C2 C3 C8 O4 -171.2(5) . .
O5 C9 C10 C15 -171.3(5) . .
O5 C9 C10 C11 8.5(8) . .
C15 C10 C11 C12 2.7(8) . .
C9 C10 C11 C12 -177.1(5) . .
C10 C11 C12 C13 -0.8(9) . .
C11 C12 C13 C14 -1.5(9) . .
C11 C12 C13 C16 175.3(5) . .
C12 C13 C14 C15 1.9(9) . .
C16 C13 C14 C15 -174.9(6) . .
C13 C14 C15 C10 0.1(10) . .
C11 C10 C15 C14 -2.4(9) . .
C9 C10 C15 C14 177.4(6) . .
C12 C13 C16 C21 -140.0(6) . .
C14 C13 C16 C21 36.7(9) . .
C12 C13 C16 C17 36.1(9) . .
C14 C13 C16 C17 -147.2(6) . .
C21 C16 C17 C18 1.4(9) . .
C13 C16 C17 C18 -174.8(6) . .
C21 C16 C17 C22 -173.9(6) . .
C13 C16 C17 C22 9.8(9) . .
C16 C17 C18 C19 -3.0(11) . .
C22 C17 C18 C19 172.6(7) . .
C17 C18 C19 C20 2.6(13) . .
C18 C19 C20 C21 -0.9(12) . .
C19 C20 C21 C16 -0.5(12) . .
C17 C16 C21 C20 0.3(10) . .
C13 C16 C21 C20 176.7(6) . .
C18 C17 C22 O6 66.1(8) . .
C16 C17 C22 O6 -118.4(7) . .
C18 C17 C22 O7 -108.9(7) . .
C16 C17 C22 O7 66.6(8) . .
C28 C23 C24 C25 1.4(9) . .
C29 C23 C24 C25 -178.0(5) . .
C23 C24 C25 O12 -175.8(6) . .
C23 C24 C25 C26 0.5(9) . .
O12 C25 C26 C27 174.8(5) . .
C24 C25 C26 C27 -1.7(9) . .
C25 C26 C27 C28 1.1(8) . .
C25 C26 C27 C30 -179.6(5) . .
C26 C27 C28 C23 0.8(8) . .
C30 C27 C28 C23 -178.5(5) . .
C24 C23 C28 C27 -2.0(8) . .
C29 C23 C28 C27 177.4(5) . .
C24 C23 C29 O9 -177.9(5) . .
C28 C23 C29 O9 2.7(8) . .
C24 C23 C29 O8 1.8(8) . .
C28 C23 C29 O8 -177.6(5) . .
C26 C27 C30 O10 170.7(5) . .
C28 C27 C30 O10 -10.0(7) . .
C26 C27 C30 O11 -8.8(7) . .
C28 C27 C30 O11 170.5(5) . .
C32 C31 C31' O12 -109.0(9) . .
O12 C31 C31' C32 109.0(9) . .
C31' C31 C32 C33 -7(2) . .
O12 C31 C32 C33 -91.7(14) . .
C31' C31 C32 C37 -179.5(17) . .
O12 C31 C32 C37 96.1(12) . .
O12 C31 C32 C31' -84(2) . .
C31 C31' C32 C33 174.5(18) . .
O12 C31' C32 C33 -127.6(8) . .
C31 C31' C32 C37 1(2) . .
O12 C31' C32 C37 58.5(14) . .
O12 C31' C32 C31 57.9(17) . .
C37 C32 C33 C34 1.4(11) . .
C31 C32 C33 C34 -170.2(10) . .
C31' C32 C33 C34 -173.8(8) . .
C32 C33 C34 C35 -1.5(10) . .
C33 C34 C35 C36 0.1(9) . .
C33 C34 C35 C38 176.4(6) . .
C34 C35 C36 C37 1.2(9) . .
C38 C35 C36 C37 -175.1(6) . .
C33 C32 C37 C36 -0.1(11) . .
C31 C32 C37 C36 173.4(8) . .
C31' C32 C37 C36 173.1(10) . .
C35 C36 C37 C32 -1.2(11) . .
C34 C35 C38 C43 -134.0(6) . .
C36 C35 C38 C43 42.2(8) . .
C34 C35 C38 C39 40.5(8) . .
C36 C35 C38 C39 -143.4(6) . .
C43 C38 C39 C40 2.7(9) . .
C35 C38 C39 C40 -171.9(6) . .
C43 C38 C39 C44 -171.7(6) . .
C35 C38 C39 C44 13.7(9) . .
C38 C39 C40 C41 -3.3(11) . .
C44 C39 C40 C41 171.4(7) . .
C39 C40 C41 C42 0.7(12) . .
C40 C41 C42 C43 2.4(12) . .
C41 C42 C43 C38 -2.9(12) . .
C39 C38 C43 C42 0.3(10) . .
C35 C38 C43 C42 175.2(6) . .
C40 C39 C44 O13 -141.8(6) . .
C38 C39 C44 O13 32.8(9) . .
C40 C39 C44 O14 33.4(8) . .
C38 C39 C44 O14 -152.0(6) . .
N1 C47' C47 C48 -118(4) . .
C48 C47' C47 N1 118(4) . .
C47' C47 C48 O17 99(6) . .
N1 C47 C48 O17 5(4) . .
C47' C47 C48 O17 41(7) . 2_457
N1 C47 C48 O17 -53(3) . 2_457
N1 C47 C48 C47' -94(6) . .
C47 C47' C48 O17 -103(6) . .
N1 C47' C48 O17 -44(3) . .
N1 C47' C48 C47 59(6) . .
C47 C47' C48 O17 -143(6) . 2_457
N1 C47' C48 O17 -84.2(15) . 2_457
O2 C7 O1 Zn1 -29.3(7) . .
C1 C7 O1 Zn1 151.9(4) . .
O4 Zn1 O1 C7 174.0(4) 1_455 .
O14 Zn1 O1 C7 -77.2(4) 2_557 .
O16 Zn1 O1 C7 39.6(4) . .
Zn2 Zn1 O1 C7 2.5(5) . .
O1 C7 O2 Zn3 -11.6(10) . .
C1 C7 O2 Zn3 167.1(4) . .
O16 Zn3 O2 C7 30.0(7) . .
O15 Zn3 O2 C7 -141.3(7) . .
O7 Zn3 O2 C7 124.6(7) 2_566 .
O10 Zn3 O2 C7 109(3) 1_455 .
O15 Zn3 O2 C7 -61.6(7) 2_567 .
O4 C8 O3 Zn2 -28.7(7) . 1_655
C3 C8 O3 Zn2 151.7(3) . 1_655
O3 C8 O4 Zn1 3.7(7) . 1_655
C3 C8 O4 Zn1 -176.7(3) . 1_655
C6 C5 O5 C9 -7.8(9) . .
C4 C5 O5 C9 174.9(5) . .
C10 C9 O5 C5 179.7(5) . .
O7 C22 O6 Zn2 -10.4(11) . 2_566
C17 C22 O6 Zn2 175.4(4) . 2_566
O6 C22 O7 Zn3 -0.6(10) . 2_566
C17 C22 O7 Zn3 173.8(4) . 2_566
O9 C29 O8 Zn4 25.6(7) . .
C23 C29 O8 Zn4 -154.1(4) . .
O11 Zn4 O8 C29 178.9(4) 1_455 .
O15 Zn4 O8 C29 -30.7(5) . .
O1W Zn4 O8 C29 75.7(4) . .
O11 C30 O10 Zn3 15.7(10) . 1_655
C27 C30 O10 Zn3 -163.8(4) . 1_655
O10 C30 O11 Zn4 1.5(8) . 1_655
C27 C30 O11 Zn4 -179.0(3) . 1_655
C31' C31 O12 C25 78(2) . .
C32 C31 O12 C25 157.8(9) . .
C32 C31 O12 C31' 80(2) . .
C24 C25 O12 C31 -55.6(12) . .
C26 C25 O12 C31 128.0(10) . .
C24 C25 O12 C31' -24.3(11) . .
C26 C25 O12 C31' 159.3(8) . .
C32 C31' O12 C31 -64(2) . .
C31 C31' O12 C25 -116(2) . .
C32 C31' O12 C25 179.7(7) . .
O14 C44 O13 Zn2 1.6(8) . 2_557
C39 C44 O13 Zn2 176.4(4) . 2_557
O13 C44 O14 Zn1 39.7(9) . 2_557
C39 C44 O14 Zn1 -135.3(5) . 2_557
O8 Zn4 O15 Zn3 167.86(16) . .
O11 Zn4 O15 Zn3 -38.0(2) 1_455 .
O1W Zn4 O15 Zn3 65.36(19) . .
O8 Zn4 O15 Zn3 -75.4(2) . 2_567
O11 Zn4 O15 Zn3 78.8(2) 1_455 2_567
O1W Zn4 O15 Zn3 -177.88(17) . 2_567
O16 Zn3 O15 Zn4 100.9(9) . .
O2 Zn3 O15 Zn4 -139.32(19) . .
O7 Zn3 O15 Zn4 -52.35(19) 2_566 .
O10 Zn3 O15 Zn4 37.72(18) 1_455 .
O15 Zn3 O15 Zn4 127.4(2) 2_567 .
O16 Zn3 O15 Zn3 -26.5(10) . 2_567
O2 Zn3 O15 Zn3 93.32(17) . 2_567
O7 Zn3 O15 Zn3 -179.72(16) 2_566 2_567
O10 Zn3 O15 Zn3 -89.65(16) 1_455 2_567
O15 Zn3 O15 Zn3 0.0 2_567 2_567
N3 Zn2 O16 Zn1 -157.1(2) . .
O13 Zn2 O16 Zn1 11.5(2) 2_557 .
O6 Zn2 O16 Zn1 107.35(18) 2_566 .
O3 Zn2 O16 Zn1 -70.10(16) 1_455 .
N3 Zn2 O16 Zn3 77.4(3) . .
O13 Zn2 O16 Zn3 -114.0(3) 2_557 .
O6 Zn2 O16 Zn3 -18.1(3) 2_566 .
O3 Zn2 O16 Zn3 164.4(3) 1_455 .
Zn1 Zn2 O16 Zn3 -125.5(3) . .
O1 Zn1 O16 Zn2 -149.45(16) . .
O4 Zn1 O16 Zn2 66.00(19) 1_455 .
O14 Zn1 O16 Zn2 -36.9(2) 2_557 .
O1 Zn1 O16 Zn3 -15.4(3) . .
O4 Zn1 O16 Zn3 -159.94(19) 1_455 .
O14 Zn1 O16 Zn3 97.2(2) 2_557 .
Zn2 Zn1 O16 Zn3 134.1(3) . .
O15 Zn3 O16 Zn2 -130.4(8) . .
O2 Zn3 O16 Zn2 110.0(3) . .
O7 Zn3 O16 Zn2 22.8(3) 2_566 .
O10 Zn3 O16 Zn2 -66.9(2) 1_455 .
O15 Zn3 O16 Zn2 -156.4(2) 2_567 .
O15 Zn3 O16 Zn1 113.1(9) . .
O2 Zn3 O16 Zn1 -6.6(2) . .
O7 Zn3 O16 Zn1 -93.7(2) 2_566 .
O10 Zn3 O16 Zn1 176.5(2) 1_455 .
O15 Zn3 O16 Zn1 87.1(2) 2_567 .
C47 C48 O17 O17 -86(3) . 2_457
C47' C48 O17 O17 -56(3) . 2_457
C47 C48 O17 C48 -86(3) . 2_457
O17 C48 O17 C48 0.000(2) 2_457 2_457
C47' C48 O17 C48 -56(3) . 2_457
N3 C45 N1 N2 2.5(9) . .
N3 C45 N1 C47 -170.4(18) . .
N3 C45 N1 C47' 172.4(13) . .
C47' C47 N1 C45 -40(6) . .
C48 C47 N1 C45 72(3) . .
C47' C47 N1 N2 148(5) . .
C48 C47 N1 N2 -101(2) . .
C48 C47 N1 C47' 112(6) . .
C47 C47' N1 C45 152(5) . .
C48 C47' N1 C45 111.7(13) . .
C47 C47' N1 N2 -41(6) . .
C48 C47' N1 N2 -81.1(19) . .
C48 C47' N1 C47 -40(4) . .
N3 C46 N2 N1 -1.8(9) . .
C45 N1 N2 C46 -0.4(9) . .
C47 N1 N2 C46 174.7(13) . .
C47' N1 N2 C46 -168.7(15) . .
N2 C46 N3 C45 3.2(9) . .
N2 C46 N3 Zn2 176.5(5) . .
N1 C45 N3 C46 -3.4(9) . .
N1 C45 N3 Zn2 -177.1(5) . .
O13 Zn2 N3 C46 -107.1(6) 2_557 .
O16 Zn2 N3 C46 63.0(7) . .
O6 Zn2 N3 C46 161.2(6) 2_566 .
O3 Zn2 N3 C46 -22.1(6) 1_455 .
Zn1 Zn2 N3 C46 -8.6(11) . .
O13 Zn2 N3 C45 64.8(6) 2_557 .
O16 Zn2 N3 C45 -125.1(6) . .
O6 Zn2 N3 C45 -26.9(6) 2_566 .
O3 Zn2 N3 C45 149.8(6) 1_455 .
Zn1 Zn2 N3 C45 163.3(4) . .
