#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/05/7210561.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_7210561
loop_
_publ_author_name
'Chen, Lei'
'Zhang, Li'
'Li, Shun-Li'
'Qiu, Yong-Qing'
'Shao, Kui-Zhan'
'Wang, Xin-Long'
'Su, Zhong-Min'
_publ_section_title
;
 Self-assembly of metal--organic frameworks based on N-donor ligand and
 flexible tricarboxylic acids with different angular characters
;
_journal_issue                   40
_journal_name_full               CrystEngComm
_journal_page_first              8214
_journal_paper_doi               10.1039/c3ce40910d
_journal_volume                  15
_journal_year                    2013
_chemical_formula_sum            'C68 H64 N12 O22 Zn3'
_chemical_formula_weight         1597.42
_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                 97.0040(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.0420(7)
_cell_length_b                   42.9060(10)
_cell_length_c                   15.604(3)
_cell_measurement_reflns_used    'total reflection'
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.04
_cell_measurement_theta_min      1.33
_cell_volume                     7337.5(15)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SMART'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD area-detector'
_diffrn_measurement_method       'φ and ω scans'
_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  0.0535
_diffrn_reflns_av_sigmaI/netI    0.0772
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       48
_diffrn_reflns_limit_k_min       -50
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            37422
_diffrn_reflns_theta_full        24.99
_diffrn_reflns_theta_max         24.99
_diffrn_reflns_theta_min         0.95
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.055
_exptl_absorpt_correction_T_max  0.798
_exptl_absorpt_correction_T_min  0.757
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.446
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3288
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.989
_refine_diff_density_min         -0.756
_refine_diff_density_rms         0.084
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.969
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     874
_refine_ls_number_reflns         12894
_refine_ls_number_restraints     57
_refine_ls_restrained_S_all      0.973
_refine_ls_R_factor_all          0.1055
_refine_ls_R_factor_gt           0.0624
_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)+(0.1050P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1658
_refine_ls_wR_factor_ref         0.1820
_reflns_number_gt                7411
_reflns_number_total             12894
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce40910d.txt
_cod_data_source_block           mm
_cod_original_cell_volume        7337.5(14)
_cod_original_sg_symbol_Hall     '-P 2yn '
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7210561
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
C1 C -0.3622(4) 0.22628(12) 1.1862(3) 0.0385(12) Uani 1 1 d .
C2 C -0.4637(4) 0.22192(12) 1.1253(3) 0.0393(12) Uani 1 1 d .
H2 H -0.5382 0.2306 1.1343 0.047 Uiso 1 1 calc R
C3 C -0.4545(4) 0.20484(12) 1.0518(3) 0.0386(12) Uani 1 1 d .
C4 C -0.3441(4) 0.19051(12) 1.0388(3) 0.0438(13) Uani 1 1 d .
H4 H -0.3382 0.1786 0.9897 0.053 Uiso 1 1 calc R
C5 C -0.2444(4) 0.19448(13) 1.1003(4) 0.0458(14) Uani 1 1 d .
C6 C -0.2505(4) 0.21268(13) 1.1718(3) 0.0449(14) Uani 1 1 d .
H6 H -0.1810 0.2160 1.2107 0.054 Uiso 1 1 calc R
C7 C -0.3699(5) 0.24566(12) 1.2650(3) 0.0413(12) Uani 1 1 d .
C8 C -0.5585(5) 0.20396(13) 0.9795(3) 0.0422(13) Uani 1 1 d .
C9 C -0.1171(5) 0.16102(15) 1.0262(4) 0.0605(17) Uani 1 1 d .
H9A H -0.1214 0.1729 0.9730 0.073 Uiso 1 1 calc R
H9B H -0.1822 0.1457 1.0201 0.073 Uiso 1 1 calc R
C10 C 0.0051(5) 0.14475(14) 1.0428(3) 0.0466(14) Uani 1 1 d .
C11 C 0.0158(5) 0.11396(16) 1.0237(4) 0.0656(18) Uani 1 1 d .
H11 H -0.0532 0.1029 1.0009 0.079 Uiso 1 1 calc R
C12 C 0.1255(6) 0.09894(17) 1.0372(5) 0.073(2) Uani 1 1 d .
H12 H 0.1292 0.0778 1.0242 0.087 Uiso 1 1 calc R
C13 C 0.2292(5) 0.11399(16) 1.0691(4) 0.0564(16) Uani 1 1 d .
C14 C 0.2213(5) 0.14459(16) 1.0889(4) 0.0590(17) Uani 1 1 d .
H14 H 0.2917 0.1553 1.1105 0.071 Uiso 1 1 calc R
C15 C 0.1081(5) 0.16066(14) 1.0776(4) 0.0523(15) Uani 1 1 d .
H15 H 0.1035 0.1815 1.0933 0.063 Uiso 1 1 calc R
C16 C 0.3477(8) 0.0967(2) 1.0809(6) 0.1051(13) Uani 1 1 d U
C17 C 0.7387(5) 0.07404(14) 0.8708(4) 0.0518(15) Uani 1 1 d .
C18 C 0.6817(5) 0.09619(14) 0.8167(4) 0.0516(15) Uani 1 1 d .
H18 H 0.6328 0.1112 0.8384 0.062 Uiso 1 1 calc R
C19 C 0.6965(5) 0.09639(14) 0.7300(4) 0.0550(16) Uani 1 1 d .
C20 C 0.7724(6) 0.07376(16) 0.6998(5) 0.0684(18) Uani 1 1 d .
H20 H 0.7829 0.0733 0.6416 0.082 Uiso 1 1 calc R
C21 C 0.8312(6) 0.05233(16) 0.7547(5) 0.0687(19) Uani 1 1 d .
C22 C 0.8153(5) 0.05188(14) 0.8402(4) 0.0607(17) Uani 1 1 d .
H22 H 0.8547 0.0371 0.8772 0.073 Uiso 1 1 calc R
C23 C 0.7154(5) 0.07255(15) 0.9643(4) 0.0558(15) Uani 1 1 d .
C24 C 0.6275(6) 0.11874(17) 0.6686(5) 0.0661(18) Uani 1 1 d .
C25 C 0.9438(8) 0.0308(2) 0.6435(6) 0.1145(15) Uani 1 1 d U
H25A H 0.9880 0.0501 0.6376 0.137 Uiso 1 1 calc R
H25B H 0.8731 0.0306 0.6001 0.137 Uiso 1 1 calc R
C26 C 1.0274(10) 0.0025(3) 0.6308(6) 0.1149(16) Uani 1 1 d U
C27 C 0.9625(12) -0.0268(2) 0.6113(7) 0.150(4) Uani 1 1 d U
H27 H 0.8785 -0.0297 0.6079 0.180 Uiso 1 1 calc R
C28 C 1.0557(11) -0.0519(2) 0.5976(7) 0.132(4) Uani 1 1 d .
H28 H 1.0284 -0.0723 0.5888 0.159 Uiso 1 1 calc R
C29 C 1.1775(10) -0.0461(2) 0.5974(5) 0.103(3) Uani 1 1 d D
C30 C 1.2258(9) -0.0154(3) 0.6103(7) 0.149(5) Uani 1 1 d .
H30 H 1.3088 -0.0122 0.6088 0.179 Uiso 1 1 calc R
C31 C 1.1514(10) 0.0101(3) 0.6254(7) 0.148(5) Uani 1 1 d .
H31 H 1.1811 0.0304 0.6313 0.178 Uiso 1 1 calc R
C32 C 1.2529(10) -0.0728(3) 0.5755(7) 0.115(2) Uani 1 1 d DU
C33 C -0.8761(5) 0.24615(15) 1.0745(4) 0.0580(16) Uani 1 1 d .
H33 H -0.8016 0.2409 1.1055 0.070 Uiso 1 1 calc R
C34 C -0.9656(6) 0.26066(16) 1.1070(4) 0.0655(18) Uani 1 1 d .
H34 H -0.9656 0.2671 1.1639 0.079 Uiso 1 1 calc R
C35 C -1.1738(5) 0.27893(14) 1.0443(4) 0.0517(15) Uani 1 1 d .
C36 C -1.1867(6) 0.3020(2) 1.1002(5) 0.096(3) Uani 1 1 d .
H36 H -1.1188 0.3099 1.1344 0.115 Uiso 1 1 calc R
C37 C -1.3043(7) 0.3143(2) 1.1068(6) 0.102(3) Uani 1 1 d .
H37 H -1.3147 0.3295 1.1477 0.122 Uiso 1 1 calc R
C38 C -1.3998(6) 0.30399(16) 1.0544(5) 0.0655(19) Uani 1 1 d .
C39 C -1.6024(6) 0.30254(18) 1.1097(6) 0.1008(16) Uani 1 1 d U
H39 H -1.5875 0.2865 1.1496 0.121 Uiso 1 1 calc R
C40 C -1.7078(6) 0.31802(17) 1.0900(6) 0.1010(16) Uani 1 1 d U
H40 H -1.7810 0.3129 1.1103 0.121 Uiso 1 1 calc R
C41 C -1.5760(5) 0.33921(15) 1.0228(4) 0.0630(18) Uani 1 1 d .
H41 H -1.5376 0.3533 0.9897 0.076 Uiso 1 1 calc R
C42 C -1.3874(5) 0.28047(16) 0.9952(4) 0.0651(18) Uani 1 1 d .
H42 H -1.4550 0.2734 0.9591 0.078 Uiso 1 1 calc R
C43 C -1.2721(5) 0.26755(15) 0.9901(4) 0.0635(18) Uani 1 1 d .
H43 H -1.2619 0.2517 0.9510 0.076 Uiso 1 1 calc R
C44 C -1.0199(5) 0.25081(13) 0.9701(4) 0.0482(14) Uani 1 1 d .
H44 H -1.0661 0.2494 0.9163 0.058 Uiso 1 1 calc R
C45 C -0.9654(5) 0.16838(15) 0.8193(4) 0.0613(17) Uani 1 1 d .
H45 H -1.0353 0.1806 0.8091 0.074 Uiso 1 1 calc R
C46 C -0.9580(6) 0.13885(16) 0.7985(5) 0.076(2) Uani 1 1 d .
H46 H -1.0206 0.1266 0.7709 0.091 Uiso 1 1 calc R
C47 C -0.7885(5) 0.09886(13) 0.8206(4) 0.0518(15) Uani 1 1 d .
C48 C -0.8551(5) 0.07292(15) 0.8344(5) 0.072(2) Uani 1 1 d .
H48 H -0.9368 0.0749 0.8423 0.086 Uiso 1 1 calc R
C49 C -0.8023(6) 0.04375(15) 0.8365(4) 0.0681(19) Uani 1 1 d .
H49 H -0.8479 0.0262 0.8464 0.082 Uiso 1 1 calc R
C50 C -0.6808(5) 0.04089(14) 0.8238(5) 0.0648(18) Uani 1 1 d .
C51 C -0.6528(5) -0.01523(15) 0.8568(4) 0.0587(16) Uani 1 1 d .
H51 H -0.7288 -0.0176 0.8760 0.070 Uiso 1 1 calc R
C52 C -0.5031(8) -0.0275(2) 0.7967(7) 0.1232(19) Uani 1 1 d U
H52 H -0.4470 -0.0399 0.7725 0.148 Uiso 1 1 calc R
C53 C -0.5249(7) 0.0032(2) 0.7790(7) 0.1222(19) Uani 1 1 d U
H53 H -0.4852 0.0158 0.7428 0.147 Uiso 1 1 calc R
C54 C -0.6130(6) 0.06687(15) 0.8075(6) 0.084(2) Uani 1 1 d .
H54 H -0.5317 0.0649 0.7984 0.101 Uiso 1 1 calc R
C55 C -0.6678(6) 0.09590(16) 0.8051(5) 0.079(2) Uani 1 1 d .
H55 H -0.6237 0.1135 0.7930 0.095 Uiso 1 1 calc R
C56 C -0.7824(5) 0.15409(13) 0.8617(4) 0.0506(14) Uani 1 1 d .
H56 H -0.7014 0.1540 0.8865 0.061 Uiso 1 1 calc R
C57 C 0.6721(5) 0.13012(14) 1.2322(4) 0.0540(15) Uani 1 1 d .
H57 H 0.5929 0.1365 1.2376 0.065 Uiso 1 1 calc R
C58 C 0.7742(5) 0.14312(14) 1.2738(4) 0.0536(15) Uani 1 1 d .
H58 H 0.7788 0.1600 1.3116 0.064 Uiso 1 1 calc R
C59 C 0.9972(5) 0.13246(14) 1.2742(4) 0.0474(14) Uani 1 1 d .
C60 C 1.0338(5) 0.16273(16) 1.2942(4) 0.0601(17) Uani 1 1 d .
H60 H 0.9763 0.1786 1.2913 0.072 Uiso 1 1 calc R
C61 C 1.1556(5) 0.16933(14) 1.3185(4) 0.0572(16) Uani 1 1 d .
H61 H 1.1805 0.1896 1.3323 0.069 Uiso 1 1 calc R
C62 C 1.2396(5) 0.14568(13) 1.3222(3) 0.0451(13) Uani 1 1 d .
C63 C 1.4264(5) 0.17909(13) 1.3397(4) 0.0533(15) Uani 1 1 d .
H63 H 1.3959 0.1967 1.3095 0.064 Uiso 1 1 calc R
C64 C 1.5397(5) 0.17525(14) 1.3816(4) 0.0541(15) Uani 1 1 d .
H64 H 1.6014 0.1901 1.3848 0.065 Uiso 1 1 calc R
C65 C 1.4429(5) 0.13320(14) 1.3983(4) 0.0514(15) Uani 1 1 d .
H65 H 1.4236 0.1132 1.4151 0.062 Uiso 1 1 calc R
C66 C 1.2032(5) 0.11520(15) 1.3010(4) 0.0577(16) Uani 1 1 d .
H66 H 1.2606 0.0993 1.3031 0.069 Uiso 1 1 calc R
C67 C 1.0816(5) 0.10900(14) 1.2771(4) 0.0540(15) Uani 1 1 d .
H67 H 1.0566 0.0888 1.2628 0.065 Uiso 1 1 calc R
C68 C 0.8235(5) 0.10445(15) 1.1936(4) 0.0566(16) Uani 1 1 d .
H68 H 0.8696 0.0899 1.1674 0.068 Uiso 1 1 calc R
N1 N -0.8538(4) 0.17854(10) 0.8585(3) 0.0474(11) Uani 1 1 d .
N2 N -0.8404(4) 0.12926(11) 0.8250(3) 0.0530(12) Uani 1 1 d .
N3 N -0.6206(6) 0.01198(16) 0.8271(6) 0.1199(19) Uani 1 1 d U
N4 N -0.5804(4) -0.03774(12) 0.8589(4) 0.0821(19) Uani 1 1 d .
N5 N -0.9089(4) 0.23981(10) 0.9877(3) 0.0442(11) Uani 1 1 d .
N6 N -1.0591(4) 0.26448(11) 1.0404(3) 0.0500(12) Uani 1 1 d .
N7 N -1.5226(5) 0.31491(14) 1.0604(5) 0.0986(16) Uani 1 1 d U
N8 N -1.6926(4) 0.34162(11) 1.0374(3) 0.0561(13) Uani 1 1 d .
N9 N 0.7023(4) 0.10604(11) 1.1808(3) 0.0512(12) Uani 1 1 d .
N10 N 0.8703(4) 0.12624(11) 1.2486(3) 0.0467(11) Uani 1 1 d .
N11 N 1.3658(4) 0.15203(11) 1.3506(3) 0.0487(12) Uani 1 1 d .
N12 N 1.5504(4) 0.14664(11) 1.4185(3) 0.0479(12) Uani 1 1 d .
O1 O -0.2727(3) 0.25003(9) 1.3170(2) 0.0488(9) Uani 1 1 d .
O2 O -0.4696(3) 0.25748(8) 1.2775(2) 0.0481(9) Uani 1 1 d .
O3 O -0.6577(3) 0.21635(9) 0.9959(2) 0.0505(10) Uani 1 1 d .
O4 O -0.5450(3) 0.19185(11) 0.9108(3) 0.0661(12) Uani 1 1 d .
O5 O -0.1314(3) 0.18111(10) 1.0957(3) 0.0649(12) Uani 1 1 d .
O6 O 0.4366(5) 0.10827(14) 1.1119(4) 0.1040(13) Uani 1 1 d U
O7 O 0.3500(5) 0.06861(15) 1.0503(4) 0.1145(14) Uani 1 1 d U
O8 O 0.7834(4) 0.05686(12) 1.0183(3) 0.0858(15) Uani 1 1 d .
O9 O 0.6248(4) 0.08697(11) 0.9837(3) 0.0673(12) Uani 1 1 d .
O10 O 0.5869(5) 0.14281(13) 0.6949(3) 0.0997(17) Uani 1 1 d .
O11 O 0.6119(4) 0.11037(11) 0.5891(3) 0.0794(14) Uani 1 1 d .
O12 O 0.9064(5) 0.02904(14) 0.7267(4) 0.1129(15) Uani 1 1 d U
O13 O 1.3686(6) -0.06947(15) 0.5814(4) 0.1203(18) Uani 1 1 d U
O14 O 1.2088(5) -0.09552(13) 0.5524(4) 0.0996(18) Uani 1 1 d U
Zn1 Zn -0.80048(5) 0.220111(14) 0.90830(4) 0.03963(18) Uani 1 1 d .
Zn2 Zn 0.58068(5) 0.081738(15) 1.09997(4) 0.0459(2) Uani 1 1 d .
Zn3 Zn 1.31389(5) -0.125760(15) 0.50678(4) 0.0468(2) Uani 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
C2 C1 C6 119.0(5) . .
C2 C1 C7 121.0(4) . .
C6 C1 C7 120.0(5) . .
C3 C2 C1 120.4(4) . .
C3 C2 H2 119.8 . .
C1 C2 H2 119.8 . .
C2 C3 C4 120.6(4) . .
C2 C3 C8 120.7(4) . .
C4 C3 C8 118.5(5) . .
C5 C4 C3 118.6(5) . .
C5 C4 H4 120.7 . .
C3 C4 H4 120.7 . .
C6 C5 C4 121.5(5) . .
C6 C5 O5 114.4(4) . .
C4 C5 O5 124.1(5) . .
C5 C6 C1 119.8(5) . .
C5 C6 H6 120.1 . .
C1 C6 H6 120.1 . .
O2 C7 O1 122.0(5) . .
O2 C7 C1 119.6(5) . .
O1 C7 C1 118.4(4) . .
O4 C8 O3 123.8(5) . .
O4 C8 C3 120.4(5) . .
O3 C8 C3 115.8(4) . .
O5 C9 C10 109.4(5) . .
O5 C9 H9A 109.8 . .
C10 C9 H9A 109.8 . .
O5 C9 H9B 109.8 . .
C10 C9 H9B 109.8 . .
H9A C9 H9B 108.3 . .
C11 C10 C15 118.4(5) . .
C11 C10 C9 120.6(5) . .
C15 C10 C9 121.0(5) . .
C10 C11 C12 121.5(6) . .
C10 C11 H11 119.2 . .
C12 C11 H11 119.2 . .
C13 C12 C11 121.7(7) . .
C13 C12 H12 119.1 . .
C11 C12 H12 119.1 . .
C12 C13 C14 118.1(5) . .
C12 C13 C16 119.8(7) . .
C14 C13 C16 122.1(7) . .
C13 C14 C15 121.5(6) . .
C13 C14 H14 119.3 . .
C15 C14 H14 119.3 . .
C10 C15 C14 118.7(6) . .
C10 C15 H15 120.6 . .
C14 C15 H15 120.6 . .
O6 C16 O7 119.9(8) . .
O6 C16 C13 121.8(9) . .
O7 C16 C13 118.1(8) . .
C18 C17 C22 120.8(6) . .
C18 C17 C23 120.3(5) . .
C22 C17 C23 118.9(6) . .
C17 C18 C19 120.5(5) . .
C17 C18 H18 119.8 . .
C19 C18 H18 119.8 . .
C18 C19 C20 118.2(6) . .
C18 C19 C24 121.3(6) . .
C20 C19 C24 120.4(6) . .
C21 C20 C19 120.9(6) . .
C21 C20 H20 119.6 . .
C19 C20 H20 119.6 . .
C22 C21 C20 120.9(6) . .
C22 C21 O12 116.5(7) . .
C20 C21 O12 122.5(6) . .
C21 C22 C17 118.7(6) . .
C21 C22 H22 120.6 . .
C17 C22 H22 120.6 . .
O9 C23 O8 122.5(6) . .
O9 C23 C17 116.7(6) . .
O8 C23 C17 120.8(6) . .
O10 C24 O11 123.5(7) . .
O10 C24 C19 120.5(7) . .
O11 C24 C19 116.0(6) . .
O12 C25 C26 108.7(7) . .
O12 C25 H25A 110.0 . .
C26 C25 H25A 110.0 . .
O12 C25 H25B 110.0 . .
C26 C25 H25B 110.0 . .
H25A C25 H25B 108.3 . .
C31 C26 C27 129.7(9) . .
C31 C26 C25 114.7(10) . .
C27 C26 C25 114.6(9) . .
C26 C27 C28 108.4(10) . .
C26 C27 H27 125.8 . .
C28 C27 H27 125.8 . .
C29 C28 C27 123.5(9) . .
C29 C28 H28 118.2 . .
C27 C28 H28 118.2 . .
C28 C29 C30 121.3(8) . .
C28 C29 C32 116.0(10) . .
C30 C29 C32 122.5(10) . .
C31 C30 C29 121.8(10) . .
C31 C30 H30 119.1 . .
C29 C30 H30 119.1 . .
C30 C31 C26 114.6(10) . .
C30 C31 H31 122.7 . .
C26 C31 H31 122.7 . .
O14 C32 O13 120.6(9) . .
O14 C32 C29 120.6(11) . .
O13 C32 C29 118.7(10) . .
C34 C33 N5 110.5(5) . .
C34 C33 H33 124.8 . .
N5 C33 H33 124.8 . .
C33 C34 N6 107.0(5) . .
C33 C34 H34 126.5 . .
N6 C34 H34 126.5 . .
C36 C35 C43 121.5(6) . .
C36 C35 N6 121.2(6) . .
C43 C35 N6 117.3(5) . .
C35 C36 C37 119.6(7) . .
C35 C36 H36 120.2 . .
C37 C36 H36 120.2 . .
C38 C37 C36 119.8(7) . .
C38 C37 H37 120.1 . .
C36 C37 H37 120.1 . .
C37 C38 C42 121.1(6) . .
C37 C38 N7 122.1(7) . .
C42 C38 N7 116.7(7) . .
C40 C39 N7 106.4(6) . .
C40 C39 H39 126.8 . .
N7 C39 H39 126.8 . .
N8 C40 C39 110.4(6) . .
N8 C40 H40 124.8 . .
C39 C40 H40 124.8 . .
N7 C41 N8 112.2(5) . .
N7 C41 H41 123.9 . .
N8 C41 H41 123.9 . .
C38 C42 C43 119.4(6) . .
C38 C42 H42 120.3 . .
C43 C42 H42 120.3 . .
C35 C43 C42 118.5(6) . .
C35 C43 H43 120.7 . .
C42 C43 H43 120.7 . .
N5 C44 N6 111.6(5) . .
N5 C44 H44 124.2 . .
N6 C44 H44 124.2 . .
C46 C45 N1 109.6(5) . .
C46 C45 H45 125.2 . .
N1 C45 H45 125.2 . .
C45 C46 N2 107.4(6) . .
C45 C46 H46 126.3 . .
N2 C46 H46 126.3 . .
C48 C47 C55 120.0(6) . .
C48 C47 N2 120.6(5) . .
C55 C47 N2 119.4(5) . .
C47 C48 C49 120.6(6) . .
C47 C48 H48 119.7 . .
C49 C48 H48 119.7 . .
C48 C49 C50 119.4(6) . .
C48 C49 H49 120.3 . .
C50 C49 H49 120.3 . .
C54 C50 C49 120.6(6) . .
C54 C50 N3 117.0(6) . .
C49 C50 N3 122.3(6) . .
N4 C51 N3 119.5(6) . .
N4 C51 H51 120.3 . .
N3 C51 H51 120.3 . .
C53 C52 N4 109.2(7) . .
C53 C52 H52 125.4 . .
N4 C52 H52 125.4 . .
C52 C53 N3 105.9(8) . .
C52 C53 H53 127.0 . .
N3 C53 H53 127.0 . .
C55 C54 C50 119.1(6) . .
C55 C54 H54 120.5 . .
C50 C54 H54 120.5 . .
C54 C55 C47 120.2(6) . .
C54 C55 H55 119.9 . .
C47 C55 H55 119.9 . .
N1 C56 N2 111.5(5) . .
N1 C56 H56 124.2 . .
N2 C56 H56 124.2 . .
C58 C57 N9 110.0(5) . .
C58 C57 H57 125.0 . .
N9 C57 H57 125.0 . .
C57 C58 N10 105.8(5) . .
C57 C58 H58 127.1 . .
N10 C58 H58 127.1 . .
C67 C59 C60 120.2(5) . .
C67 C59 N10 120.7(5) . .
C60 C59 N10 119.1(5) . .
C61 C60 C59 120.1(6) . .
C61 C60 H60 119.9 . .
C59 C60 H60 119.9 . .
C62 C61 C60 119.3(6) . .
C62 C61 H61 120.3 . .
C60 C61 H61 120.3 . .
C61 C62 C66 120.7(5) . .
C61 C62 N11 119.9(5) . .
C66 C62 N11 119.4(5) . .
C64 C63 N11 106.0(5) . .
C64 C63 H63 127.0 . .
N11 C63 H63 127.0 . .
C63 C64 N12 110.2(5) . .
C63 C64 H64 124.9 . .
N12 C64 H64 124.9 . .
N12 C65 N11 111.3(5) . .
N12 C65 H65 124.4 . .
N11 C65 H65 124.4 . .
C67 C66 C62 119.2(5) . .
C67 C66 H66 120.4 . .
C62 C66 H66 120.4 . .
C59 C67 C66 120.3(6) . .
C59 C67 H67 119.8 . .
C66 C67 H67 119.8 . .
N9 C68 N10 111.4(5) . .
N9 C68 H68 124.3 . .
N10 C68 H68 124.3 . .
C56 N1 C45 105.4(5) . .
C56 N1 Zn1 123.4(4) . .
C45 N1 Zn1 131.1(4) . .
C56 N2 C46 106.0(5) . .
C56 N2 C47 125.0(5) . .
C46 N2 C47 128.8(5) . .
C51 N3 C50 130.3(6) . .
C51 N3 C53 101.6(6) . .
C50 N3 C53 126.5(7) . .
C51 N4 C52 100.2(6) . .
C51 N4 Zn2 135.4(5) . 3_557
C52 N4 Zn2 122.1(5) . 3_557
C44 N5 C33 105.1(4) . .
C44 N5 Zn1 129.3(4) . .
C33 N5 Zn1 125.5(3) . .
C44 N6 C34 105.8(4) . .
C44 N6 C35 126.7(5) . .
C34 N6 C35 127.5(5) . .
C41 N7 C39 106.3(5) . .
C41 N7 C38 127.3(5) . .
C39 N7 C38 126.3(5) . .
C40 N8 C41 104.0(5) . .
C40 N8 Zn3 128.1(4) . 2_456
C41 N8 Zn3 127.8(4) . 2_456
C68 N9 C57 105.2(5) . .
C68 N9 Zn2 130.4(4) . .
C57 N9 Zn2 124.3(4) . .
C68 N10 C58 107.5(4) . .
C68 N10 C59 126.9(5) . .
C58 N10 C59 125.6(5) . .
C65 N11 C63 107.2(4) . .
C65 N11 C62 125.9(5) . .
C63 N11 C62 126.6(5) . .
C65 N12 C64 105.3(5) . .
C65 N12 Zn3 122.1(4) . 3_857
C64 N12 Zn3 132.5(4) . 3_857
C7 O1 Zn1 111.2(3) . 4_666
C8 O3 Zn1 122.2(3) . .
C5 O5 C9 118.7(4) . .
C16 O6 Zn2 111.5(6) . .
C23 O9 Zn2 118.0(4) . .
C24 O11 Zn3 129.9(4) . 3_756
C21 O12 C25 119.9(6) . .
C32 O14 Zn3 116.2(7) . .
O3 Zn1 O1 112.01(16) . 4_565
O3 Zn1 N1 111.70(17) . .
O1 Zn1 N1 111.27(17) 4_565 .
O3 Zn1 N5 95.35(16) . .
O1 Zn1 N5 109.24(17) 4_565 .
N1 Zn1 N5 116.36(18) . .
O9 Zn2 O6 108.4(2) . .
O9 Zn2 N4 114.8(2) . 3_557
O6 Zn2 N4 118.7(2) . 3_557
O9 Zn2 N9 107.43(19) . .
O6 Zn2 N9 97.2(2) . .
N4 Zn2 N9 108.4(2) 3_557 .
O11 Zn3 O14 113.0(2) 3_756 .
O11 Zn3 N12 104.5(2) 3_756 3_857
O14 Zn3 N12 121.8(2) . 3_857
O11 Zn3 N8 107.8(2) 3_756 2_446
O14 Zn3 N8 100.9(2) . 2_446
N12 Zn3 N8 108.1(2) 3_857 2_446
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.391(7) .
C1 C6 1.406(6) .
C1 C7 1.496(7) .
C2 C3 1.375(7) .
C2 H2 0.9300 .
C3 C4 1.402(6) .
C3 C8 1.509(7) .
C4 C5 1.380(7) .
C4 H4 0.9300 .
C5 C6 1.370(7) .
C5 O5 1.383(6) .
C6 H6 0.9300 .
C7 O2 1.250(6) .
C7 O1 1.277(6) .
C8 O4 1.217(6) .
C8 O3 1.272(6) .
C9 O5 1.409(6) .
C9 C10 1.513(7) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C11 1.363(8) .
C10 C15 1.380(8) .
C11 C12 1.366(8) .
C11 H11 0.9300 .
C12 C13 1.355(9) .
C12 H12 0.9300 .
C13 C14 1.354(9) .
C13 C16 1.495(9) .
C14 C15 1.420(8) .
C14 H14 0.9300 .
C15 H15 0.9300 .
C16 O6 1.152(9) .
C16 O7 1.300(10) .
C17 C18 1.373(8) .
C17 C22 1.395(8) .
C17 C23 1.512(8) .
C18 C19 1.381(8) .
C18 H18 0.9300 .
C19 C20 1.402(8) .
C19 C24 1.497(9) .
C20 C21 1.366(9) .
C20 H20 0.9300 .
C21 C22 1.367(9) .
C21 O12 1.403(7) .
C22 H22 0.9300 .
C23 O9 1.244(7) .
C23 O8 1.254(7) .
C24 O10 1.217(8) .
C24 O11 1.282(8) .
C25 O12 1.411(9) .
C25 C26 1.554(11) .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C26 C31 1.421(13) .
C26 C27 1.460(14) .
C27 C28 1.523(13) .
C27 H27 0.9300 .
C28 C29 1.368(13) .
C28 H28 0.9300 .
C29 C30 1.424(13) .
C29 C32 1.483(8) .
C30 C31 1.406(12) .
C30 H30 0.9300 .
C31 H31 0.9300 .
C32 O14 1.128(11) .
C32 O13 1.277(11) .
C33 C34 1.320(8) .
C33 N5 1.385(7) .
C33 H33 0.9300 .
C34 N6 1.383(7) .
C34 H34 0.9300 .
C35 C36 1.338(9) .
C35 C43 1.382(8) .
C35 N6 1.418(6) .
C36 C37 1.417(9) .
C36 H36 0.9300 .
C37 C38 1.328(10) .
C37 H37 0.9300 .
C38 C42 1.386(9) .
C38 N7 1.449(7) .
C39 C40 1.342(8) .
C39 N7 1.347(8) .
C39 H39 0.9300 .
C40 N8 1.327(8) .
C40 H40 0.9300 .
C41 N7 1.302(7) .
C41 N8 1.339(7) .
C41 H41 0.9300 .
C42 C43 1.399(8) .
C42 H42 0.9300 .
C43 H43 0.9300 .
C44 N5 1.311(6) .
C44 N6 1.359(7) .
C44 H44 0.9300 .
C45 C46 1.313(8) .
C45 N1 1.378(7) .
C45 H45 0.9300 .
C46 N2 1.377(7) .
C46 H46 0.9300 .
C47 C48 1.365(8) .
C47 C55 1.390(8) .
C47 N2 1.430(7) .
C48 C49 1.379(8) .
C48 H48 0.9300 .
C49 C50 1.386(8) .
C49 H49 0.9300 .
C50 C54 1.383(8) .
C50 N3 1.405(8) .
C51 N4 1.252(7) .
C51 N3 1.321(8) .
C51 H51 0.9300 .
C52 C53 1.361(10) .
C52 N4 1.436(10) .
C52 H52 0.9300 .
C53 N3 1.419(10) .
C53 H53 0.9300 .
C54 C55 1.383(8) .
C54 H54 0.9300 .
C55 H55 0.9300 .
C56 N1 1.310(6) .
C56 N2 1.336(7) .
C56 H56 0.9300 .
C57 C58 1.351(7) .
C57 N9 1.375(7) .
C57 H57 0.9300 .
C58 N10 1.381(6) .
C58 H58 0.9300 .
C59 C67 1.369(7) .
C59 C60 1.385(8) .
C59 N10 1.435(6) .
C60 C61 1.382(8) .
C60 H60 0.9300 .
C61 C62 1.371(7) .
C61 H61 0.9300 .
C62 C66 1.396(8) .
C62 N11 1.436(6) .
C63 C64 1.349(7) .
C63 N11 1.361(7) .
C63 H63 0.9300 .
C64 N12 1.355(7) .
C64 H64 0.9300 .
C65 N12 1.324(6) .
C65 N11 1.333(7) .
C65 H65 0.9300 .
C66 C67 1.375(7) .
C66 H66 0.9300 .
C67 H67 0.9300 .
C68 N9 1.330(6) .
C68 N10 1.330(7) .
C68 H68 0.9300 .
N1 Zn1 2.005(5) .
N4 Zn2 1.994(5) 3_557
N5 Zn1 2.011(4) .
N8 Zn3 2.000(4) 2_456
N9 Zn2 2.017(5) .
N12 Zn3 1.995(4) 3_857
O1 Zn1 1.968(4) 4_666
O3 Zn1 1.963(3) .
O6 Zn2 1.984(5) .
O9 Zn2 1.948(4) .
O11 Zn3 1.910(4) 3_756
O14 Zn3 1.933(5) .
Zn1 O1 1.968(4) 4_565
Zn2 N4 1.994(5) 3_557
Zn3 O11 1.910(4) 3_756
Zn3 N12 1.995(4) 3_857
Zn3 N8 2.000(4) 2_446
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_4
C6 C1 C2 C3 -0.7(8) .
C7 C1 C2 C3 178.0(5) .
C1 C2 C3 C4 2.6(8) .
C1 C2 C3 C8 -170.9(5) .
C2 C3 C4 C5 -1.4(8) .
C8 C3 C4 C5 172.2(5) .
C3 C4 C5 C6 -1.9(9) .
C3 C4 C5 O5 178.8(5) .
C4 C5 C6 C1 3.8(9) .
O5 C5 C6 C1 -176.8(5) .
C2 C1 C6 C5 -2.5(8) .
C7 C1 C6 C5 178.8(5) .
C2 C1 C7 O2 1.8(8) .
C6 C1 C7 O2 -179.6(5) .
C2 C1 C7 O1 -177.0(5) .
C6 C1 C7 O1 1.7(8) .
C2 C3 C8 O4 171.5(5) .
C4 C3 C8 O4 -2.1(8) .
C2 C3 C8 O3 -8.8(7) .
C4 C3 C8 O3 177.6(5) .
O5 C9 C10 C11 139.1(6) .
O5 C9 C10 C15 -40.9(8) .
C15 C10 C11 C12 -0.8(9) .
C9 C10 C11 C12 179.2(6) .
C10 C11 C12 C13 -1.0(11) .
C11 C12 C13 C14 1.1(10) .
C11 C12 C13 C16 -178.5(7) .
C12 C13 C14 C15 0.5(9) .
C16 C13 C14 C15 -179.9(6) .
C11 C10 C15 C14 2.3(8) .
C9 C10 C15 C14 -177.7(5) .
C13 C14 C15 C10 -2.2(9) .
C12 C13 C16 O6 -175.9(9) .
C14 C13 C16 O6 4.5(13) .
C12 C13 C16 O7 8.1(12) .
C14 C13 C16 O7 -171.5(7) .
C22 C17 C18 C19 1.9(9) .
C23 C17 C18 C19 -175.8(5) .
C17 C18 C19 C20 -1.0(8) .
C17 C18 C19 C24 175.1(6) .
C18 C19 C20 C21 -0.7(9) .
C24 C19 C20 C21 -176.9(6) .
C19 C20 C21 C22 1.6(11) .
C19 C20 C21 O12 179.0(6) .
C20 C21 C22 C17 -0.8(10) .
O12 C21 C22 C17 -178.3(6) .
C18 C17 C22 C21 -1.0(9) .
C23 C17 C22 C21 176.7(5) .
C18 C17 C23 O9 15.7(8) .
C22 C17 C23 O9 -162.0(6) .
C18 C17 C23 O8 -165.8(6) .
C22 C17 C23 O8 16.5(9) .
C18 C19 C24 O10 22.5(10) .
C20 C19 C24 O10 -161.5(7) .
C18 C19 C24 O11 -155.5(6) .
C20 C19 C24 O11 20.5(9) .
O12 C25 C26 C31 -112.3(10) .
O12 C25 C26 C27 78.0(10) .
C31 C26 C27 C28 10.1(17) .
C25 C26 C27 C28 178.0(8) .
C26 C27 C28 C29 -4.7(15) .
C27 C28 C29 C30 0.0(16) .
C27 C28 C29 C32 -174.9(9) .
C28 C29 C30 C31 1.1(17) .
C32 C29 C30 C31 175.6(10) .
C29 C30 C31 C26 3.0(17) .
C27 C26 C31 C30 -9.7(18) .
C25 C26 C31 C30 -177.5(9) .
C28 C29 C32 O14 7.3(15) .
C30 C29 C32 O14 -167.5(11) .
C28 C29 C32 O13 -174.2(10) .
C30 C29 C32 O13 11.0(15) .
N5 C33 C34 N6 -0.9(8) .
C43 C35 C36 C37 2.7(12) .
N6 C35 C36 C37 -175.3(7) .
C35 C36 C37 C38 -3.6(14) .
C36 C37 C38 C42 2.5(13) .
C36 C37 C38 N7 177.7(7) .
N7 C39 C40 N8 -6.6(11) .
C37 C38 C42 C43 -0.5(11) .
N7 C38 C42 C43 -176.0(5) .
C36 C35 C43 C42 -0.7(10) .
N6 C35 C43 C42 177.3(5) .
C38 C42 C43 C35 -0.4(9) .
N1 C45 C46 N2 0.6(8) .
C55 C47 C48 C49 2.7(11) .
N2 C47 C48 C49 -175.1(6) .
C47 C48 C49 C50 -0.6(11) .
C48 C49 C50 C54 -1.1(11) .
C48 C49 C50 N3 178.5(7) .
N4 C52 C53 N3 -2.7(12) .
C49 C50 C54 C55 0.7(12) .
N3 C50 C54 C55 -178.9(8) .
C50 C54 C55 C47 1.4(12) .
C48 C47 C55 C54 -3.1(11) .
N2 C47 C55 C54 174.8(6) .
N9 C57 C58 N10 -1.1(7) .
C67 C59 C60 C61 -1.0(9) .
N10 C59 C60 C61 -179.6(5) .
C59 C60 C61 C62 0.3(9) .
C60 C61 C62 C66 0.5(9) .
C60 C61 C62 N11 -177.6(5) .
N11 C63 C64 N12 -0.3(7) .
C61 C62 C66 C67 -0.6(9) .
N11 C62 C66 C67 177.5(5) .
C60 C59 C67 C66 0.9(9) .
N10 C59 C67 C66 179.5(5) .
C62 C66 C67 C59 -0.1(9) .
N2 C56 N1 C45 1.7(7) .
N2 C56 N1 Zn1 179.1(4) .
C46 C45 N1 C56 -1.4(7) .
C46 C45 N1 Zn1 -178.5(5) .
N1 C56 N2 C46 -1.3(7) .
N1 C56 N2 C47 -178.0(5) .
C45 C46 N2 C56 0.4(8) .
C45 C46 N2 C47 176.8(6) .
C48 C47 N2 C56 138.8(6) .
C55 C47 N2 C56 -39.1(9) .
C48 C47 N2 C46 -37.0(10) .
C55 C47 N2 C46 145.1(7) .
N4 C51 N3 C50 -174.9(8) .
N4 C51 N3 C53 19.4(11) .
C54 C50 N3 C51 165.5(9) .
C49 C50 N3 C51 -14.2(14) .
C54 C50 N3 C53 -32.1(13) .
C49 C50 N3 C53 148.3(9) .
C52 C53 N3 C51 -8.0(11) .
C52 C53 N3 C50 -174.4(9) .
N3 C51 N4 C52 -20.6(10) .
N3 C51 N4 Zn2 177.3(7) 3_557
C53 C52 N4 C51 12.9(10) .
C53 C52 N4 Zn2 178.2(7) 3_557
N6 C44 N5 C33 1.4(6) .
N6 C44 N5 Zn1 -175.3(4) .
C34 C33 N5 C44 -0.3(7) .
C34 C33 N5 Zn1 176.5(4) .
N5 C44 N6 C34 -1.9(7) .
N5 C44 N6 C35 179.5(5) .
C33 C34 N6 C44 1.7(7) .
C33 C34 N6 C35 -179.8(6) .
C36 C35 N6 C44 -151.8(7) .
C43 C35 N6 C44 30.1(9) .
C36 C35 N6 C34 30.0(10) .
C43 C35 N6 C34 -148.1(6) .
N8 C41 N7 C39 -6.9(10) .
N8 C41 N7 C38 175.9(7) .
C40 C39 N7 C41 8.0(11) .
C40 C39 N7 C38 -174.7(8) .
C37 C38 N7 C41 87.6(11) .
C42 C38 N7 C41 -97.0(10) .
C37 C38 N7 C39 -89.2(12) .
C42 C38 N7 C39 86.3(11) .
C39 C40 N8 C41 2.5(10) .
C39 C40 N8 Zn3 -175.5(6) 2_456
N7 C41 N8 C40 2.8(9) .
N7 C41 N8 Zn3 -179.2(5) 2_456
N10 C68 N9 C57 -0.9(7) .
N10 C68 N9 Zn2 175.4(4) .
C58 C57 N9 C68 1.2(7) .
C58 C57 N9 Zn2 -175.4(4) .
N9 C68 N10 C58 0.2(7) .
N9 C68 N10 C59 -176.7(5) .
C57 C58 N10 C68 0.5(7) .
C57 C58 N10 C59 177.5(5) .
C67 C59 N10 C68 -30.6(9) .
C60 C59 N10 C68 148.0(6) .
C67 C59 N10 C58 153.0(6) .
C60 C59 N10 C58 -28.4(8) .
N12 C65 N11 C63 -0.2(7) .
N12 C65 N11 C62 -175.7(5) .
C64 C63 N11 C65 0.3(6) .
C64 C63 N11 C62 175.8(5) .
C61 C62 N11 C65 143.2(6) .
C66 C62 N11 C65 -34.9(8) .
C61 C62 N11 C63 -31.4(8) .
C66 C62 N11 C63 150.5(6) .
N11 C65 N12 C64 0.0(7) .
N11 C65 N12 Zn3 177.6(4) 3_857
C63 C64 N12 C65 0.2(7) .
C63 C64 N12 Zn3 -177.0(4) 3_857
O2 C7 O1 Zn1 -5.2(6) 4_666
C1 C7 O1 Zn1 173.5(4) 4_666
O4 C8 O3 Zn1 -4.4(8) .
C3 C8 O3 Zn1 175.9(3) .
C6 C5 O5 C9 177.7(5) .
C4 C5 O5 C9 -3.0(9) .
C10 C9 O5 C5 -169.8(5) .
O7 C16 O6 Zn2 5.5(12) .
C13 C16 O6 Zn2 -170.4(6) .
O8 C23 O9 Zn2 -5.4(8) .
C17 C23 O9 Zn2 173.0(4) .
O10 C24 O11 Zn3 74.4(9) 3_756
C19 C24 O11 Zn3 -107.7(6) 3_756
C22 C21 O12 C25 -169.5(7) .
C20 C21 O12 C25 13.0(11) .
C26 C25 O12 C21 179.1(8) .
O13 C32 O14 Zn3 -9.1(15) .
C29 C32 O14 Zn3 169.4(7) .
C8 O3 Zn1 O1 -68.5(4) 4_565
C8 O3 Zn1 N1 57.1(5) .
C8 O3 Zn1 N5 178.2(4) .
C56 N1 Zn1 O3 -20.8(5) .
C45 N1 Zn1 O3 155.8(5) .
C56 N1 Zn1 O1 105.2(4) 4_565
C45 N1 Zn1 O1 -78.2(5) 4_565
C56 N1 Zn1 N5 -128.9(4) .
C45 N1 Zn1 N5 47.8(6) .
C44 N5 Zn1 O3 175.1(5) .
C33 N5 Zn1 O3 -1.0(5) .
C44 N5 Zn1 O1 59.5(5) 4_565
C33 N5 Zn1 O1 -116.5(5) 4_565
C44 N5 Zn1 N1 -67.5(5) .
C33 N5 Zn1 N1 116.5(5) .
C23 O9 Zn2 O6 178.6(5) .
C23 O9 Zn2 N4 -46.1(5) 3_557
C23 O9 Zn2 N9 74.5(5) .
C16 O6 Zn2 O9 79.5(7) .
C16 O6 Zn2 N4 -53.8(8) 3_557
C16 O6 Zn2 N9 -169.4(7) .
C68 N9 Zn2 O9 -55.7(6) .
C57 N9 Zn2 O9 120.1(5) .
C68 N9 Zn2 O6 -167.6(6) .
C57 N9 Zn2 O6 8.1(5) .
C68 N9 Zn2 N4 68.9(6) 3_557
C57 N9 Zn2 N4 -115.4(5) 3_557
C32 O14 Zn3 O11 -58.5(8) 3_756
C32 O14 Zn3 N12 67.2(8) 3_857
C32 O14 Zn3 N8 -173.4(8) 2_446
