#------------------------------------------------------------------------------
#$Date: 2016-03-24 03:25:37 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179630 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/94/4509442.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_4509442
loop_
_publ_author_name
'Su, Zhi'
'Xu, Jing'
'Fan, Jian'
'Liu, De-Jun'
'Chu, Qian'
'Chen, Man-Sheng'
'Chen, Shui-Sheng'
'Liu, Guang-Xiang'
'Wang, Xiao-Feng'
'Sun, Wei-Yin'
_publ_section_title
;
 Synthesis, Crystal Structure, and Photoluminescence of Coordination
 Polymers with Mixed Ligands and Diverse Topologies
;
_journal_issue                   6
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              2801
_journal_paper_doi               10.1021/cg900059m
_journal_volume                  9
_journal_year                    2009
_chemical_formula_moiety         'C62 H40 N12 O16 Zn4, 2(H2O)'
_chemical_formula_sum            'C62 H44 N12 O18 Zn4'
_chemical_formula_weight         1506.57
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           29
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   25.7057(17)
_cell_length_b                   11.8041(8)
_cell_length_c                   20.9672(13)
_cell_measurement_reflns_used    6068
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      23.99
_cell_measurement_theta_min      2.34
_cell_volume                     6362.1(7)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0696
_diffrn_reflns_av_sigmaI/netI    0.0814
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            31113
_diffrn_reflns_theta_full        25.25
_diffrn_reflns_theta_max         25.25
_diffrn_reflns_theta_min         1.86
_exptl_absorpt_coefficient_mu    1.572
_exptl_absorpt_correction_T_max  0.8846
_exptl_absorpt_correction_T_min  0.6947
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs,bruker(2000)
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.573
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3056
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.647
_refine_diff_density_min         -0.371
_refine_diff_density_rms         0.082
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.007(14)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.972
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     865
_refine_ls_number_reflns         10538
_refine_ls_number_restraints     81
_refine_ls_restrained_S_all      0.979
_refine_ls_R_factor_all          0.0689
_refine_ls_R_factor_gt           0.0523
_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)+(0.0503P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1096
_refine_ls_wR_factor_ref         0.1155
_reflns_number_gt                8005
_reflns_number_total             10538
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg900059msup1.cif
_cod_data_source_block           4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' 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_sg_symbol_H-M      Pca2(1)
_cod_database_code               4509442
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'x+1/2, -y, z'
'-x+1/2, y, z+1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Zn1 Zn 0.60080(3) 0.13733(6) 0.89634(3) 0.02986(19) Uani 1 1 d .
Zn2 Zn 0.58020(3) -0.13856(6) 0.90682(4) 0.03102(19) Uani 1 1 d .
Zn3 Zn 0.71670(3) 0.36970(6) 0.96175(4) 0.0310(2) Uani 1 1 d .
Zn4 Zn 0.46128(3) -0.37183(6) 0.83621(4) 0.0331(2) Uani 1 1 d .
C1 C 0.7817(3) -0.1590(6) 0.8258(4) 0.0314(17) Uani 1 1 d .
C2 C 0.7951(3) -0.0475(6) 0.8216(3) 0.0329(17) Uani 1 1 d .
H2 H 0.7702 0.0091 0.8263 0.039 Uiso 1 1 calc R
C3 C 0.8468(3) -0.0209(6) 0.8101(3) 0.0280(17) Uani 1 1 d .
C4 C 0.8853(3) -0.1041(6) 0.8004(3) 0.0342(18) Uani 1 1 d .
H4 H 0.9196 -0.0847 0.7912 0.041 Uiso 1 1 calc R
C5 C 0.8696(3) -0.2169(5) 0.8053(4) 0.0347(18) Uani 1 1 d .
C6 C 0.8190(3) -0.2448(6) 0.8165(4) 0.0346(19) Uani 1 1 d .
H6 H 0.8091 -0.3205 0.8180 0.041 Uiso 1 1 calc R
C7 C 0.7115(3) -0.3051(7) 0.8413(6) 0.084(4) Uani 1 1 d .
H7 H 0.7302 -0.3696 0.8301 0.101 Uiso 1 1 calc R
C8 C 0.6627(3) -0.3033(6) 0.8607(5) 0.077(3) Uani 1 1 d .
H8 H 0.6407 -0.3657 0.8631 0.092 Uiso 1 1 calc R
C9 C 0.6903(3) -0.1356(6) 0.8636(3) 0.0358(17) Uani 1 1 d .
H9 H 0.6914 -0.0576 0.8699 0.043 Uiso 1 1 calc R
C10 C 0.8302(3) 0.1823(7) 0.7862(5) 0.072(3) Uani 1 1 d .
H10 H 0.7960 0.1759 0.7721 0.086 Uiso 1 1 calc R
C11 C 0.8584(3) 0.2775(6) 0.7909(5) 0.057(3) Uani 1 1 d .
H11 H 0.8469 0.3491 0.7788 0.068 Uiso 1 1 calc R
C12 C 0.9070(3) 0.1456(6) 0.8246(4) 0.0361(19) Uani 1 1 d .
H12 H 0.9352 0.1061 0.8413 0.043 Uiso 1 1 calc R
C13 C 0.9526(3) -0.3010(7) 0.7644(5) 0.0698(18) Uani 1 1 d U
H13 H 0.9665 -0.2390 0.7430 0.084 Uiso 1 1 calc R
C14 C 0.9739(4) -0.4052(7) 0.7693(5) 0.0684(17) Uani 1 1 d U
H14 H 1.0053 -0.4275 0.7513 0.082 Uiso 1 1 calc R
C15 C 0.9036(3) -0.4089(6) 0.8215(4) 0.0508(16) Uani 1 1 d U
H15 H 0.8767 -0.4333 0.8478 0.061 Uiso 1 1 calc R
C16 C 0.3982(3) 0.1678(6) 0.9720(4) 0.0296(17) Uani 1 1 d .
C17 C 0.3837(3) 0.0522(5) 0.9725(3) 0.0289(16) Uani 1 1 d .
H17 H 0.4087 -0.0040 0.9671 0.035 Uiso 1 1 calc R
C18 C 0.3329(3) 0.0240(6) 0.9810(3) 0.0285(17) Uani 1 1 d .
C19 C 0.2951(3) 0.1042(5) 0.9905(3) 0.0276(16) Uani 1 1 d .
H19 H 0.2604 0.0846 0.9962 0.033 Uiso 1 1 calc R
C20 C 0.3118(3) 0.2187(6) 0.9910(3) 0.0267(16) Uani 1 1 d .
C21 C 0.3621(3) 0.2505(6) 0.9812(3) 0.0301(17) Uani 1 1 d .
H21 H 0.3715 0.3265 0.9808 0.036 Uiso 1 1 calc R
C22 C 0.4715(3) 0.3023(7) 0.9744(5) 0.0569(16) Uani 1 1 d U
H22 H 0.4546 0.3623 0.9943 0.068 Uiso 1 1 calc R
C23 C 0.5203(3) 0.3012(6) 0.9534(4) 0.0561(16) Uani 1 1 d U
H23 H 0.5434 0.3617 0.9565 0.067 Uiso 1 1 calc R
C24 C 0.4891(3) 0.1411(6) 0.9349(4) 0.0382(14) Uani 1 1 d U
H24 H 0.4857 0.0655 0.9231 0.046 Uiso 1 1 calc R
C25 C 0.3523(3) -0.1823(6) 0.9832(5) 0.073(3) Uani 1 1 d .
H25 H 0.3881 -0.1781 0.9891 0.087 Uiso 1 1 calc R
C26 C 0.3237(3) -0.2775(6) 0.9769(5) 0.064(3) Uani 1 1 d .
H26 H 0.3371 -0.3506 0.9762 0.077 Uiso 1 1 calc R
C27 C 0.2711(3) -0.1389(5) 0.9729(4) 0.0364(18) Uani 1 1 d .
H27 H 0.2406 -0.0971 0.9696 0.044 Uiso 1 1 calc R
C28 C 0.2270(3) 0.3014(7) 1.0307(5) 0.062(3) Uani 1 1 d .
H28 H 0.2130 0.2380 1.0506 0.074 Uiso 1 1 calc R
C29 C 0.2051(3) 0.4041(6) 1.0271(5) 0.065(3) Uani 1 1 d .
H29 H 0.1732 0.4244 1.0446 0.077 Uiso 1 1 calc R
C30 C 0.2778(3) 0.4139(5) 0.9781(3) 0.0313(16) Uani 1 1 d .
H30 H 0.3061 0.4409 0.9550 0.038 Uiso 1 1 calc R
C31 C 0.7004(3) 0.2664(7) 0.7588(3) 0.0375(19) Uani 1 1 d .
C32 C 0.6968(4) 0.2224(9) 0.6958(5) 0.081(3) Uani 1 1 d .
H32 H 0.6781 0.1564 0.6878 0.097 Uiso 1 1 calc R
C33 C 0.7217(5) 0.2797(13) 0.6461(4) 0.114(5) Uani 1 1 d .
H33 H 0.7190 0.2514 0.6048 0.137 Uiso 1 1 calc R
C34 C 0.7489(5) 0.3735(10) 0.6562(5) 0.093(4) Uani 1 1 d .
H34 H 0.7650 0.4093 0.6220 0.112 Uiso 1 1 calc R
C35 C 0.7537(4) 0.4179(7) 0.7155(4) 0.060(2) Uani 1 1 d .
H35 H 0.7734 0.4830 0.7218 0.072 Uiso 1 1 calc R
C36 C 0.7289(3) 0.3655(6) 0.7677(4) 0.0365(18) Uani 1 1 d .
C37 C 0.6735(3) 0.2004(7) 0.8107(4) 0.036(2) Uani 1 1 d .
C38 C 0.7374(3) 0.4101(6) 0.8314(4) 0.0343(17) Uani 1 1 d .
C39 C 0.6093(3) 0.1960(7) 1.0611(4) 0.041(2) Uani 1 1 d .
C40 C 0.5832(4) 0.2524(9) 1.1093(5) 0.074(3) Uani 1 1 d .
H40 H 0.5870 0.3304 1.1134 0.089 Uiso 1 1 calc R
C41 C 0.5514(4) 0.1940(11) 1.1518(5) 0.096(4) Uani 1 1 d .
H41 H 0.5319 0.2337 1.1817 0.115 Uiso 1 1 calc R
C42 C 0.5490(4) 0.0801(10) 1.1496(5) 0.083(4) Uani 1 1 d .
H42 H 0.5287 0.0407 1.1789 0.100 Uiso 1 1 calc R
C43 C 0.5757(3) 0.0245(8) 1.1056(4) 0.056(2) Uani 1 1 d .
H43 H 0.5745 -0.0543 1.1057 0.067 Uiso 1 1 calc R
C44 C 0.6056(3) 0.0787(6) 1.0587(3) 0.0341(18) Uani 1 1 d .
C45 C 0.6433(3) 0.2582(6) 1.0156(4) 0.0351(19) Uani 1 1 d .
C46 C 0.6341(3) 0.0081(6) 1.0107(3) 0.0317(17) Uani 1 1 d .
C47 C 0.5799(3) -0.0854(7) 0.7437(3) 0.0374(19) Uani 1 1 d .
C48 C 0.6094(4) -0.0333(8) 0.7000(5) 0.072(3) Uani 1 1 d .
H48 H 0.6104 0.0454 0.6990 0.086 Uiso 1 1 calc R
C49 C 0.6377(5) -0.0936(10) 0.6571(5) 0.111(5) Uani 1 1 d .
H49 H 0.6587 -0.0560 0.6279 0.134 Uiso 1 1 calc R
C50 C 0.6354(5) -0.2126(10) 0.6569(5) 0.094(4) Uani 1 1 d .
H50 H 0.6548 -0.2541 0.6276 0.113 Uiso 1 1 calc R
C51 C 0.6041(3) -0.2671(7) 0.7004(4) 0.056(2) Uani 1 1 d .
H51 H 0.6022 -0.3458 0.7007 0.068 Uiso 1 1 calc R
C52 C 0.5758(3) -0.2050(7) 0.7433(3) 0.0382(19) Uani 1 1 d .
C53 C 0.5499(3) -0.0089(6) 0.7900(4) 0.0362(18) Uani 1 1 d .
C54 C 0.5399(3) -0.2628(6) 0.7892(4) 0.0303(18) Uani 1 1 d .
C55 C 0.4464(3) -0.3612(6) 1.0335(3) 0.0321(16) Uani 1 1 d .
C56 C 0.4217(3) -0.4101(7) 1.0842(4) 0.051(2) Uani 1 1 d .
H56 H 0.4039 -0.4777 1.0778 0.061 Uiso 1 1 calc R
C57 C 0.4222(3) -0.3626(8) 1.1452(4) 0.055(2) Uani 1 1 d .
H57 H 0.4049 -0.3978 1.1788 0.066 Uiso 1 1 calc R
C58 C 0.4487(3) -0.2623(7) 1.1546(4) 0.049(2) Uani 1 1 d .
H58 H 0.4492 -0.2284 1.1946 0.059 Uiso 1 1 calc R
C59 C 0.4745(3) -0.2129(7) 1.1040(4) 0.0418(19) Uani 1 1 d .
H59 H 0.4917 -0.1446 1.1105 0.050 Uiso 1 1 calc R
C60 C 0.4758(3) -0.2614(6) 1.0434(3) 0.0344(18) Uani 1 1 d .
C61 C 0.4404(3) -0.4101(6) 0.9675(4) 0.0336(17) Uani 1 1 d .
C62 C 0.5035(3) -0.1964(6) 0.9897(4) 0.0332(18) Uani 1 1 d .
N1 N 0.6500(2) -0.1970(4) 0.8765(3) 0.0302(14) Uani 1 1 d .
N2 N 0.7302(2) -0.1957(4) 0.8402(3) 0.0301(13) Uani 1 1 d .
N3 N 0.9061(2) 0.2545(4) 0.8158(3) 0.0353(15) Uani 1 1 d .
N4 N 0.8617(2) 0.0966(5) 0.8064(3) 0.0336(14) Uani 1 1 d .
N5 N 0.9425(3) -0.4718(5) 0.8044(3) 0.0501(14) Uani 1 1 d U
N6 N 0.9069(3) -0.3048(5) 0.7969(3) 0.0525(15) Uani 1 1 d U
N7 N 0.5318(2) 0.1979(5) 0.9267(3) 0.0394(13) Uani 1 1 d U
N8 N 0.4512(2) 0.1994(5) 0.9611(3) 0.0402(13) Uani 1 1 d U
N9 N 0.2726(2) -0.2511(4) 0.9719(3) 0.0286(13) Uani 1 1 d .
N10 N 0.3182(2) -0.0926(4) 0.9793(3) 0.0272(13) Uani 1 1 d .
N11 N 0.2375(2) 0.4747(4) 0.9934(3) 0.0289(13) Uani 1 1 d .
N12 N 0.2735(2) 0.3067(4) 0.9998(3) 0.0283(14) Uani 1 1 d .
O1 O 0.7010(2) 0.1295(4) 0.8392(3) 0.0479(13) Uani 1 1 d .
O2 O 0.62599(19) 0.2162(4) 0.8195(2) 0.0394(13) Uani 1 1 d .
O3 O 0.77697(19) 0.4664(4) 0.8430(3) 0.0493(14) Uani 1 1 d .
O4 O 0.70239(19) 0.3853(4) 0.8716(2) 0.0373(12) Uani 1 1 d .
O5 O 0.6657(2) 0.3468(4) 1.0338(2) 0.0477(14) Uani 1 1 d .
O6 O 0.65043(18) 0.2217(4) 0.9597(2) 0.0348(12) Uani 1 1 d .
O7 O 0.6740(2) -0.0402(5) 1.0252(3) 0.0565(16) Uani 1 1 d .
O8 O 0.61290(19) 0.0003(4) 0.9557(2) 0.0371(12) Uani 1 1 d .
O9 O 0.5131(2) 0.0447(5) 0.7707(3) 0.0604(16) Uani 1 1 d .
O10 O 0.5684(2) -0.0024(4) 0.8471(2) 0.0393(12) Uani 1 1 d .
O11 O 0.5172(2) -0.3499(4) 0.7695(3) 0.0415(13) Uani 1 1 d .
O12 O 0.53054(19) -0.2238(4) 0.8424(3) 0.0415(13) Uani 1 1 d .
O13 O 0.4731(2) -0.3774(4) 0.9259(2) 0.0432(13) Uani 1 1 d .
O14 O 0.40370(18) -0.4769(4) 0.9571(3) 0.0451(13) Uani 1 1 d .
O15 O 0.4786(2) -0.1256(4) 0.9593(3) 0.0434(13) Uani 1 1 d .
O16 O 0.55116(18) -0.2166(4) 0.9828(2) 0.0363(12) Uani 1 1 d .
O17 O 0.5953(3) 0.4531(8) 0.8304(7) 0.166(4) Uani 1 1 d .
O18 O 0.5819(4) 0.5492(10) 0.9691(10) 0.284(10) 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
O2 Zn1 N7 112.3(2) . .
O2 Zn1 O8 144.4(2) . .
N7 Zn1 O8 102.7(2) . .
O2 Zn1 O6 95.42(19) . .
N7 Zn1 O6 99.6(2) . .
O8 Zn1 O6 84.16(19) . .
O2 Zn1 O10 95.6(2) . .
N7 Zn1 O10 94.8(2) . .
O8 Zn1 O10 75.10(17) . .
O6 Zn1 O10 156.9(2) . .
O16 Zn2 N1 115.3(2) . .
O16 Zn2 O10 142.6(2) . .
N1 Zn2 O10 101.8(2) . .
O16 Zn2 O8 96.9(2) . .
N1 Zn2 O8 93.7(2) . .
O10 Zn2 O8 75.39(17) . .
O16 Zn2 O12 93.7(2) . .
N1 Zn2 O12 99.9(2) . .
O10 Zn2 O12 83.9(2) . .
O8 Zn2 O12 157.2(2) . .
O4 Zn3 N9 107.7(2) . 3
O4 Zn3 O5 128.4(2) . .
N9 Zn3 O5 106.9(2) 3 .
O4 Zn3 N11 106.5(2) . 3_565
N9 Zn3 N11 114.0(2) 3 3_565
O5 Zn3 N11 92.7(2) . 3_565
O4 Zn3 O6 85.32(19) . .
N9 Zn3 O6 90.15(19) 3 .
O5 Zn3 O6 57.59(18) . .
N11 Zn3 O6 147.1(2) 3_565 .
O13 Zn4 N5 109.4(2) . 3_445
O13 Zn4 O11 125.0(2) . .
N5 Zn4 O11 93.4(2) 3_445 .
O13 Zn4 N3 110.0(2) . 3_455
N5 Zn4 N3 112.8(3) 3_445 3_455
O11 Zn4 N3 105.3(2) . 3_455
C2 C1 C6 121.0(7) . .
C2 C1 N2 122.8(6) . .
C6 C1 N2 116.3(6) . .
C1 C2 C3 118.1(7) . .
C1 C2 H2 120.9 . .
C3 C2 H2 120.9 . .
C2 C3 C4 122.7(6) . .
C2 C3 N4 118.9(6) . .
C4 C3 N4 118.4(6) . .
C5 C4 C3 116.8(7) . .
C5 C4 H4 121.6 . .
C3 C4 H4 121.6 . .
C6 C5 C4 121.3(6) . .
C6 C5 N6 119.2(6) . .
C4 C5 N6 119.4(6) . .
C5 C6 C1 120.0(6) . .
C5 C6 H6 120.0 . .
C1 C6 H6 120.0 . .
C8 C7 N2 108.7(7) . .
C8 C7 H7 125.7 . .
N2 C7 H7 125.7 . .
C7 C8 N1 108.9(7) . .
C7 C8 H8 125.6 . .
N1 C8 H8 125.6 . .
N1 C9 N2 113.1(6) . .
N1 C9 H9 123.5 . .
N2 C9 H9 123.5 . .
C11 C10 N4 106.1(7) . .
C11 C10 H10 126.9 . .
N4 C10 H10 126.9 . .
C10 C11 N3 110.3(7) . .
C10 C11 H11 124.8 . .
N3 C11 H11 124.8 . .
N3 C12 N4 111.5(7) . .
N3 C12 H12 124.2 . .
N4 C12 H12 124.2 . .
C14 C13 N6 106.4(7) . .
C14 C13 H13 126.8 . .
N6 C13 H13 126.8 . .
N5 C14 C13 109.4(7) . .
N5 C14 H14 125.3 . .
C13 C14 H14 125.3 . .
N5 C15 N6 111.8(7) . .
N5 C15 H15 124.1 . .
N6 C15 H15 124.1 . .
C21 C16 C17 120.7(6) . .
C21 C16 N8 119.0(6) . .
C17 C16 N8 120.3(6) . .
C18 C17 C16 119.4(6) . .
C18 C17 H17 120.3 . .
C16 C17 H17 120.3 . .
C17 C18 C19 122.0(6) . .
C17 C18 N10 119.1(6) . .
C19 C18 N10 118.8(6) . .
C18 C19 C20 116.4(6) . .
C18 C19 H19 121.8 . .
C20 C19 H19 121.8 . .
C21 C20 C19 123.3(6) . .
C21 C20 N12 117.9(6) . .
C19 C20 N12 118.8(6) . .
C16 C21 C20 118.2(6) . .
C16 C21 H21 120.9 . .
C20 C21 H21 120.9 . .
C23 C22 N8 106.8(7) . .
C23 C22 H22 126.6 . .
N8 C22 H22 126.6 . .
C22 C23 N7 110.2(7) . .
C22 C23 H23 124.9 . .
N7 C23 H23 124.9 . .
N7 C24 N8 114.4(6) . .
N7 C24 H24 122.8 . .
N8 C24 H24 122.8 . .
C26 C25 N10 106.7(7) . .
C26 C25 H25 126.7 . .
N10 C25 H25 126.7 . .
C25 C26 N9 110.2(6) . .
C25 C26 H26 124.9 . .
N9 C26 H26 124.9 . .
N9 C27 N10 112.6(6) . .
N9 C27 H27 123.7 . .
N10 C27 H27 123.7 . .
C29 C28 N12 107.4(7) . .
C29 C28 H28 126.3 . .
N12 C28 H28 126.3 . .
C28 C29 N11 108.9(7) . .
C28 C29 H29 125.5 . .
N11 C29 H29 125.5 . .
N11 C30 N12 111.7(6) . .
N11 C30 H30 124.2 . .
N12 C30 H30 124.2 . .
C36 C31 C32 117.7(7) . .
C36 C31 C37 125.4(7) . .
C32 C31 C37 116.8(7) . .
C33 C32 C31 119.1(9) . .
C33 C32 H32 120.5 . .
C31 C32 H32 120.5 . .
C34 C33 C32 121.7(10) . .
C34 C33 H33 119.1 . .
C32 C33 H33 119.1 . .
C33 C34 C35 121.2(10) . .
C33 C34 H34 119.4 . .
C35 C34 H34 119.4 . .
C34 C35 C36 120.1(9) . .
C34 C35 H35 120.0 . .
C36 C35 H35 120.0 . .
C31 C36 C35 120.2(8) . .
C31 C36 C38 120.5(7) . .
C35 C36 C38 119.1(7) . .
O1 C37 O2 125.7(8) . .
O1 C37 C31 115.7(7) . .
O2 C37 C31 118.5(7) . .
O3 C38 O4 125.2(8) . .
O3 C38 C36 119.9(7) . .
O4 C38 C36 114.9(7) . .
C40 C39 C44 118.2(8) . .
C40 C39 C45 121.0(8) . .
C44 C39 C45 120.7(7) . .
C39 C40 C41 120.9(10) . .
C39 C40 H40 119.5 . .
C41 C40 H40 119.5 . .
C42 C41 C40 120.0(10) . .
C42 C41 H41 120.0 . .
C40 C41 H41 120.0 . .
C43 C42 C41 119.6(9) . .
C43 C42 H42 120.2 . .
C41 C42 H42 120.2 . .
C42 C43 C44 123.1(9) . .
C42 C43 H43 118.4 . .
C44 C43 H43 118.4 . .
C39 C44 C43 117.9(8) . .
C39 C44 C46 123.0(6) . .
C43 C44 C46 119.0(7) . .
O5 C45 O6 120.0(7) . .
O5 C45 C39 119.2(7) . .
O6 C45 C39 120.8(7) . .
O7 C46 O8 123.5(7) . .
O7 C46 C44 120.5(6) . .
O8 C46 C44 116.0(7) . .
C48 C47 C52 119.8(8) . .
C48 C47 C53 116.6(8) . .
C52 C47 C53 123.6(6) . .
C47 C48 C49 121.1(10) . .
C47 C48 H48 119.5 . .
C49 C48 H48 119.5 . .
C48 C49 C50 120.2(10) . .
C48 C49 H49 119.9 . .
C50 C49 H49 119.9 . .
C51 C50 C49 119.2(9) . .
C51 C50 H50 120.4 . .
C49 C50 H50 120.4 . .
C52 C51 C50 119.7(9) . .
C52 C51 H51 120.1 . .
C50 C51 H51 120.1 . .
C51 C52 C47 119.9(7) . .
C51 C52 C54 120.4(7) . .
C47 C52 C54 119.8(7) . .
O9 C53 O10 124.7(8) . .
O9 C53 C47 119.3(7) . .
O10 C53 C47 115.8(7) . .
O12 C54 O11 121.0(7) . .
O12 C54 C52 122.2(6) . .
O11 C54 C52 116.7(7) . .
C56 C55 C60 119.1(7) . .
C56 C55 C61 120.3(7) . .
C60 C55 C61 120.6(6) . .
C55 C56 C57 122.6(8) . .
C55 C56 H56 118.7 . .
C57 C56 H56 118.7 . .
C58 C57 C56 118.6(8) . .
C58 C57 H57 120.7 . .
C56 C57 H57 120.7 . .
C59 C58 C57 119.3(8) . .
C59 C58 H58 120.3 . .
C57 C58 H58 120.3 . .
C58 C59 C60 122.6(7) . .
C58 C59 H59 118.7 . .
C60 C59 H59 118.7 . .
C59 C60 C55 117.6(7) . .
C59 C60 C62 118.2(7) . .
C55 C60 C62 123.8(6) . .
O14 C61 O13 124.9(7) . .
O14 C61 C55 118.6(7) . .
O13 C61 C55 116.5(6) . .
O15 C62 O16 125.2(7) . .
O15 C62 C60 118.5(7) . .
O16 C62 C60 116.2(7) . .
C9 N1 C8 106.3(6) . .
C9 N1 Zn2 125.7(5) . .
C8 N1 Zn2 127.8(5) . .
C9 N2 C7 103.0(6) . .
C9 N2 C1 128.8(6) . .
C7 N2 C1 127.7(6) . .
C12 N3 C11 105.6(6) . .
C12 N3 Zn4 129.3(5) . 3
C11 N3 Zn4 125.1(5) . 3
C12 N4 C10 106.4(6) . .
C12 N4 C3 128.6(6) . .
C10 N4 C3 124.9(7) . .
C15 N5 C14 106.2(6) . .
C15 N5 Zn4 128.0(5) . 3_545
C14 N5 Zn4 124.8(5) . 3_545
C15 N6 C13 106.1(7) . .
C15 N6 C5 125.5(6) . .
C13 N6 C5 128.4(6) . .
C24 N7 C23 102.9(6) . .
C24 N7 Zn1 127.1(5) . .
C23 N7 Zn1 129.2(5) . .
C24 N8 C22 105.6(6) . .
C24 N8 C16 129.6(6) . .
C22 N8 C16 124.8(6) . .
C27 N9 C26 104.9(6) . .
C27 N9 Zn3 132.4(5) . 3_455
C26 N9 Zn3 122.7(4) . 3_455
C27 N10 C25 105.6(6) . .
C27 N10 C18 129.6(6) . .
C25 N10 C18 124.8(6) . .
C30 N11 C29 105.9(5) . .
C30 N11 Zn3 129.1(5) . 3_465
C29 N11 Zn3 124.0(5) . 3_465
C30 N12 C28 106.0(6) . .
C30 N12 C20 125.2(6) . .
C28 N12 C20 128.8(6) . .
C37 O2 Zn1 111.8(5) . .
C38 O4 Zn3 122.5(5) . .
C45 O5 Zn3 100.5(5) . .
C45 O6 Zn1 131.5(5) . .
C45 O6 Zn3 80.9(4) . .
Zn1 O6 Zn3 140.9(2) . .
C46 O8 Zn1 123.4(4) . .
C46 O8 Zn2 131.6(4) . .
Zn1 O8 Zn2 104.9(2) . .
C53 O10 Zn2 124.9(4) . .
C53 O10 Zn1 130.1(4) . .
Zn2 O10 Zn1 104.7(2) . .
C54 O11 Zn4 102.0(5) . .
C54 O12 Zn2 129.7(5) . .
C61 O13 Zn4 125.7(5) . .
C62 O16 Zn2 111.8(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O2 1.971(5) .
Zn1 N7 2.016(6) .
Zn1 O8 2.064(5) .
Zn1 O6 2.094(5) .
Zn1 O10 2.117(5) .
Zn2 O16 1.986(5) .
Zn2 N1 2.026(5) .
Zn2 O10 2.060(5) .
Zn2 O8 2.108(5) .
Zn2 O12 2.113(5) .
Zn3 O4 1.934(5) .
Zn3 N9 2.018(5) 3
Zn3 O5 2.018(5) .
Zn3 N11 2.025(5) 3_565
Zn3 O6 2.441(5) .
Zn4 O13 1.907(5) .
Zn4 N5 2.021(6) 3_445
Zn4 O11 2.023(5) .
Zn4 N3 2.028(5) 3_455
C1 C2 1.363(9) .
C1 C6 1.408(9) .
C1 N2 1.426(8) .
C2 C3 1.387(9) .
C2 H2 0.9300 .
C3 C4 1.410(9) .
C3 N4 1.440(8) .
C4 C5 1.396(9) .
C4 H4 0.9300 .
C5 C6 1.362(10) .
C5 N6 1.424(8) .
C6 H6 0.9300 .
C7 C8 1.320(11) .
C7 N2 1.378(9) .
C7 H7 0.9300 .
C8 N1 1.337(9) .
C8 H8 0.9300 .
C9 N1 1.292(8) .
C9 N2 1.341(8) .
C9 H9 0.9300 .
C10 C11 1.342(11) .
C10 N4 1.363(9) .
C10 H10 0.9300 .
C11 N3 1.361(9) .
C11 H11 0.9300 .
C12 N3 1.299(8) .
C12 N4 1.355(9) .
C12 H12 0.9300 .
C13 C14 1.350(11) .
C13 N6 1.360(10) .
C13 H13 0.9300 .
C14 N5 1.345(10) .
C14 H14 0.9300 .
C15 N5 1.295(9) .
C15 N6 1.335(9) .
C15 H15 0.9300 .
C16 C21 1.360(9) .
C16 C17 1.415(9) .
C16 N8 1.429(8) .
C17 C18 1.360(9) .
C17 H17 0.9300 .
C18 C19 1.371(9) .
C18 N10 1.428(8) .
C19 C20 1.418(9) .
C19 H19 0.9300 .
C20 C21 1.362(10) .
C20 N12 1.443(8) .
C21 H21 0.9300 .
C22 C23 1.330(10) .
C22 N8 1.351(9) .
C22 H22 0.9300 .
C23 N7 1.375(9) .
C23 H23 0.9300 .
C24 N7 1.295(8) .
C24 N8 1.315(8) .
C24 H24 0.9300 .
C25 C26 1.349(10) .
C25 N10 1.377(9) .
C25 H25 0.9300 .
C26 N9 1.353(8) .
C26 H26 0.9300 .
C27 N9 1.325(7) .
C27 N10 1.334(8) .
C27 H27 0.9300 .
C28 C29 1.338(10) .
C28 N12 1.362(9) .
C28 H28 0.9300 .
C29 N11 1.374(9) .
C29 H29 0.9300 .
C30 N11 1.300(8) .
C30 N12 1.349(8) .
C30 H30 0.9300 .
C31 C36 1.392(10) .
C31 C32 1.423(11) .
C31 C37 1.505(10) .
C32 C33 1.398(12) .
C32 H32 0.9300 .
C33 C34 1.327(14) .
C33 H33 0.9300 .
C34 C35 1.355(14) .
C34 H34 0.9300 .
C35 C36 1.411(10) .
C35 H35 0.9300 .
C36 C38 1.452(11) .
C37 O1 1.248(9) .
C37 O2 1.250(9) .
C38 O3 1.240(8) .
C38 O4 1.267(8) .
C39 C40 1.385(11) .
C39 C44 1.389(11) .
C39 C45 1.486(10) .
C40 C41 1.391(13) .
C40 H40 0.9300 .
C41 C42 1.347(14) .
C41 H41 0.9300 .
C42 C43 1.324(12) .
C42 H42 0.9300 .
C43 C44 1.403(10) .
C43 H43 0.9300 .
C44 C46 1.498(10) .
C45 O5 1.255(8) .
C45 O6 1.262(9) .
C46 O7 1.211(8) .
C46 O8 1.280(8) .
C47 C48 1.338(11) .
C47 C52 1.416(11) .
C47 C53 1.536(10) .
C48 C49 1.358(14) .
C48 H48 0.9300 .
C49 C50 1.406(15) .
C49 H49 0.9300 .
C50 C51 1.377(12) .
C50 H50 0.9300 .
C51 C52 1.369(10) .
C51 H51 0.9300 .
C52 C54 1.497(10) .
C53 O9 1.207(8) .
C53 O10 1.289(8) .
C54 O12 1.231(8) .
C54 O11 1.252(8) .
C55 C56 1.366(10) .
C55 C60 1.414(10) .
C55 C61 1.508(10) .
C56 C57 1.395(11) .
C56 H56 0.9300 .
C57 C58 1.381(11) .
C57 H57 0.9300 .
C58 C59 1.380(10) .
C58 H58 0.9300 .
C59 C60 1.393(10) .
C59 H59 0.9300 .
C60 C62 1.538(10) .
C61 O14 1.249(8) .
C61 O13 1.270(8) .
C62 O15 1.230(8) .
C62 O16 1.256(8) .
N3 Zn4 2.028(5) 3
N5 Zn4 2.021(6) 3_545
N9 Zn3 2.018(5) 3_455
N11 Zn3 2.025(5) 3_465
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
C6 C1 C2 C3 -2.2(11) . .
N2 C1 C2 C3 177.2(7) . .
C1 C2 C3 C4 2.3(11) . .
C1 C2 C3 N4 -179.1(6) . .
C2 C3 C4 C5 -2.3(10) . .
N4 C3 C4 C5 179.0(6) . .
C3 C4 C5 C6 2.4(11) . .
C3 C4 C5 N6 -179.1(7) . .
C4 C5 C6 C1 -2.4(12) . .
N6 C5 C6 C1 179.1(7) . .
C2 C1 C6 C5 2.3(12) . .
N2 C1 C6 C5 -177.1(7) . .
N2 C7 C8 N1 -4.1(14) . .
N4 C10 C11 N3 -2.4(11) . .
N6 C13 C14 N5 -0.6(12) . .
C21 C16 C17 C18 1.3(11) . .
N8 C16 C17 C18 -178.0(7) . .
C16 C17 C18 C19 -1.4(11) . .
C16 C17 C18 N10 177.9(6) . .
C17 C18 C19 C20 0.0(10) . .
N10 C18 C19 C20 -179.3(6) . .
C18 C19 C20 C21 1.6(10) . .
C18 C19 C20 N12 179.0(6) . .
C17 C16 C21 C20 0.2(11) . .
N8 C16 C21 C20 179.5(6) . .
C19 C20 C21 C16 -1.7(11) . .
N12 C20 C21 C16 -179.1(6) . .
N8 C22 C23 N7 -0.1(11) . .
N10 C25 C26 N9 -2.6(12) . .
N12 C28 C29 N11 0.6(11) . .
C36 C31 C32 C33 0.0(14) . .
C37 C31 C32 C33 -179.1(10) . .
C31 C32 C33 C34 1(2) . .
C32 C33 C34 C35 0(2) . .
C33 C34 C35 C36 -1.0(18) . .
C32 C31 C36 C35 -1.1(12) . .
C37 C31 C36 C35 177.9(8) . .
C32 C31 C36 C38 -175.3(8) . .
C37 C31 C36 C38 3.7(12) . .
C34 C35 C36 C31 1.6(13) . .
C34 C35 C36 C38 175.9(9) . .
C36 C31 C37 O1 -86.0(10) . .
C32 C31 C37 O1 92.9(9) . .
C36 C31 C37 O2 97.4(9) . .
C32 C31 C37 O2 -83.6(10) . .
C31 C36 C38 O3 151.4(7) . .
C35 C36 C38 O3 -22.9(10) . .
C31 C36 C38 O4 -27.7(10) . .
C35 C36 C38 O4 158.0(7) . .
C44 C39 C40 C41 -4.1(15) . .
C45 C39 C40 C41 179.9(10) . .
C39 C40 C41 C42 5.4(18) . .
C40 C41 C42 C43 -2.2(19) . .
C41 C42 C43 C44 -2.2(17) . .
C40 C39 C44 C43 -0.1(12) . .
C45 C39 C44 C43 175.8(8) . .
C40 C39 C44 C46 -177.0(8) . .
C45 C39 C44 C46 -1.0(12) . .
C42 C43 C44 C39 3.4(13) . .
C42 C43 C44 C46 -179.6(9) . .
C40 C39 C45 O5 29.5(13) . .
C44 C39 C45 O5 -146.3(8) . .
C40 C39 C45 O6 -151.9(9) . .
C44 C39 C45 O6 32.2(12) . .
C39 C44 C46 O7 100.0(9) . .
C43 C44 C46 O7 -76.8(10) . .
C39 C44 C46 O8 -82.0(9) . .
C43 C44 C46 O8 101.2(8) . .
C52 C47 C48 C49 -3.5(16) . .
C53 C47 C48 C49 179.5(10) . .
C47 C48 C49 C50 2(2) . .
C48 C49 C50 C51 0(2) . .
C49 C50 C51 C52 -0.1(17) . .
C50 C51 C52 C47 -1.6(14) . .
C50 C51 C52 C54 177.5(9) . .
C48 C47 C52 C51 3.4(12) . .
C53 C47 C52 C51 -179.9(7) . .
C48 C47 C52 C54 -175.6(8) . .
C53 C47 C52 C54 1.1(11) . .
C48 C47 C53 O9 71.5(10) . .
C52 C47 C53 O9 -105.3(9) . .
C48 C47 C53 O10 -104.7(9) . .
C52 C47 C53 O10 78.5(9) . .
C51 C52 C54 O12 149.7(8) . .
C47 C52 C54 O12 -31.3(11) . .
C51 C52 C54 O11 -34.4(11) . .
C47 C52 C54 O11 144.7(7) . .
C60 C55 C56 C57 3.1(12) . .
C61 C55 C56 C57 -174.1(8) . .
C55 C56 C57 C58 -0.1(13) . .
C56 C57 C58 C59 -0.9(12) . .
C57 C58 C59 C60 -1.3(12) . .
C58 C59 C60 C55 4.2(11) . .
C58 C59 C60 C62 177.2(7) . .
C56 C55 C60 C59 -5.0(11) . .
C61 C55 C60 C59 172.2(7) . .
C56 C55 C60 C62 -177.6(7) . .
C61 C55 C60 C62 -0.4(11) . .
C56 C55 C61 O14 17.0(10) . .
C60 C55 C61 O14 -160.1(7) . .
C56 C55 C61 O13 -164.5(7) . .
C60 C55 C61 O13 18.3(10) . .
C59 C60 C62 O15 -86.7(9) . .
C55 C60 C62 O15 85.8(9) . .
C59 C60 C62 O16 89.8(9) . .
C55 C60 C62 O16 -97.6(9) . .
N2 C9 N1 C8 -0.6(10) . .
N2 C9 N1 Zn2 -175.6(4) . .
C7 C8 N1 C9 2.9(12) . .
C7 C8 N1 Zn2 177.8(7) . .
O16 Zn2 N1 C9 -130.8(6) . .
O10 Zn2 N1 C9 44.5(6) . .
O8 Zn2 N1 C9 -31.4(6) . .
O12 Zn2 N1 C9 130.3(6) . .
O16 Zn2 N1 C8 55.2(8) . .
O10 Zn2 N1 C8 -129.5(8) . .
O8 Zn2 N1 C8 154.7(8) . .
O12 Zn2 N1 C8 -43.7(8) . .
N1 C9 N2 C7 -1.7(9) . .
N1 C9 N2 C1 -174.2(7) . .
C8 C7 N2 C9 3.5(12) . .
C8 C7 N2 C1 176.1(8) . .
C2 C1 N2 C9 -14.3(12) . .
C6 C1 N2 C9 165.2(7) . .
C2 C1 N2 C7 175.0(9) . .
C6 C1 N2 C7 -5.6(12) . .
N4 C12 N3 C11 0.0(9) . .
N4 C12 N3 Zn4 178.1(5) . 3
C10 C11 N3 C12 1.5(10) . .
C10 C11 N3 Zn4 -176.7(6) . 3
N3 C12 N4 C10 -1.4(9) . .
N3 C12 N4 C3 -178.1(6) . .
C11 C10 N4 C12 2.3(10) . .
C11 C10 N4 C3 179.1(7) . .
C2 C3 N4 C12 146.4(7) . .
C4 C3 N4 C12 -34.9(11) . .
C2 C3 N4 C10 -29.8(11) . .
C4 C3 N4 C10 148.9(8) . .
N6 C15 N5 C14 2.7(11) . .
N6 C15 N5 Zn4 171.9(6) . 3_545
C13 C14 N5 C15 -1.2(12) . .
C13 C14 N5 Zn4 -170.9(7) . 3_545
N5 C15 N6 C13 -3.0(11) . .
N5 C15 N6 C5 178.2(8) . .
C14 C13 N6 C15 2.1(11) . .
C14 C13 N6 C5 -179.2(9) . .
C6 C5 N6 C15 -27.1(12) . .
C4 C5 N6 C15 154.4(8) . .
C6 C5 N6 C13 154.4(9) . .
C4 C5 N6 C13 -24.1(13) . .
N8 C24 N7 C23 3.2(9) . .
N8 C24 N7 Zn1 173.5(5) . .
C22 C23 N7 C24 -1.8(10) . .
C22 C23 N7 Zn1 -171.8(6) . .
O2 Zn1 N7 C24 123.0(6) . .
O8 Zn1 N7 C24 -50.9(7) . .
O6 Zn1 N7 C24 -137.0(7) . .
O10 Zn1 N7 C24 24.9(7) . .
O2 Zn1 N7 C23 -69.2(8) . .
O8 Zn1 N7 C23 116.9(7) . .
O6 Zn1 N7 C23 30.8(7) . .
O10 Zn1 N7 C23 -167.3(7) . .
N7 C24 N8 C22 -3.3(10) . .
N7 C24 N8 C16 174.0(7) . .
C23 C22 N8 C24 1.9(11) . .
C23 C22 N8 C16 -175.6(8) . .
C21 C16 N8 C24 -159.6(8) . .
C17 C16 N8 C24 19.7(12) . .
C21 C16 N8 C22 17.2(12) . .
C17 C16 N8 C22 -163.5(8) . .
N10 C27 N9 C26 -0.9(9) . .
N10 C27 N9 Zn3 -178.5(5) . 3_455
C25 C26 N9 C27 2.2(11) . .
C25 C26 N9 Zn3 -180.0(7) . 3_455
N9 C27 N10 C25 -0.6(9) . .
N9 C27 N10 C18 178.5(6) . .
C26 C25 N10 C27 1.9(11) . .
C26 C25 N10 C18 -177.3(8) . .
C17 C18 N10 C27 -164.4(7) . .
C19 C18 N10 C27 14.9(11) . .
C17 C18 N10 C25 14.6(11) . .
C19 C18 N10 C25 -166.1(8) . .
N12 C30 N11 C29 0.2(9) . .
N12 C30 N11 Zn3 -168.4(4) . 3_465
C28 C29 N11 C30 -0.5(10) . .
C28 C29 N11 Zn3 168.9(6) . 3_465
N11 C30 N12 C28 0.1(9) . .
N11 C30 N12 C20 -179.6(6) . .
C29 C28 N12 C30 -0.4(10) . .
C29 C28 N12 C20 179.3(8) . .
C21 C20 N12 C30 24.5(10) . .
C19 C20 N12 C30 -153.0(6) . .
C21 C20 N12 C28 -155.2(8) . .
C19 C20 N12 C28 27.3(11) . .
O1 C37 O2 Zn1 11.5(9) . .
C31 C37 O2 Zn1 -172.4(5) . .
N7 Zn1 O2 C37 162.5(5) . .
O8 Zn1 O2 C37 -27.8(7) . .
O6 Zn1 O2 C37 59.7(5) . .
O10 Zn1 O2 C37 -100.0(5) . .
O3 C38 O4 Zn3 -28.4(9) . .
C36 C38 O4 Zn3 150.6(5) . .
N9 Zn3 O4 C38 -56.9(5) 3 .
O5 Zn3 O4 C38 173.1(5) . .
N11 Zn3 O4 C38 65.8(5) 3_565 .
O6 Zn3 O4 C38 -145.6(5) . .
O6 C45 O5 Zn3 -11.0(8) . .
C39 C45 O5 Zn3 167.5(6) . .
O4 Zn3 O5 C45 57.1(5) . .
N9 Zn3 O5 C45 -73.2(5) 3 .
N11 Zn3 O5 C45 170.7(5) 3_565 .
O6 Zn3 O5 C45 5.8(4) . .
O5 C45 O6 Zn1 -146.2(6) . .
C39 C45 O6 Zn1 35.3(10) . .
O5 C45 O6 Zn3 9.1(7) . .
C39 C45 O6 Zn3 -169.5(7) . .
O2 Zn1 O6 C45 141.5(6) . .
N7 Zn1 O6 C45 27.7(7) . .
O8 Zn1 O6 C45 -74.2(6) . .
O10 Zn1 O6 C45 -100.2(8) . .
O2 Zn1 O6 Zn3 2.5(4) . .
N7 Zn1 O6 Zn3 -111.3(4) . .
O8 Zn1 O6 Zn3 146.8(4) . .
O10 Zn1 O6 Zn3 120.8(5) . .
O4 Zn3 O6 C45 -147.9(4) . .
N9 Zn3 O6 C45 104.3(4) 3 .
O5 Zn3 O6 C45 -5.8(4) . .
N11 Zn3 O6 C45 -34.5(6) 3_565 .
O4 Zn3 O6 Zn1 2.2(4) . .
N9 Zn3 O6 Zn1 -105.6(4) 3 .
O5 Zn3 O6 Zn1 144.4(5) . .
N11 Zn3 O6 Zn1 115.7(4) 3_565 .
O7 C46 O8 Zn1 -119.5(7) . .
C44 C46 O8 Zn1 62.5(7) . .
O7 C46 O8 Zn2 63.9(10) . .
C44 C46 O8 Zn2 -114.0(6) . .
O2 Zn1 O8 C46 103.7(6) . .
N7 Zn1 O8 C46 -86.0(6) . .
O6 Zn1 O8 C46 12.6(6) . .
O10 Zn1 O8 C46 -177.7(6) . .
O2 Zn1 O8 Zn2 -78.9(4) . .
N7 Zn1 O8 Zn2 91.3(2) . .
O6 Zn1 O8 Zn2 -170.1(2) . .
O10 Zn1 O8 Zn2 -0.3(2) . .
O16 Zn2 O8 C46 34.7(7) . .
N1 Zn2 O8 C46 -81.3(6) . .
O10 Zn2 O8 C46 177.4(6) . .
O12 Zn2 O8 C46 151.9(6) . .
O16 Zn2 O8 Zn1 -142.3(2) . .
N1 Zn2 O8 Zn1 101.6(2) . .
O10 Zn2 O8 Zn1 0.3(2) . .
O12 Zn2 O8 Zn1 -25.1(6) . .
O9 C53 O10 Zn2 126.6(7) . .
C47 C53 O10 Zn2 -57.4(8) . .
O9 C53 O10 Zn1 -61.2(10) . .
C47 C53 O10 Zn1 114.8(6) . .
O16 Zn2 O10 C53 -104.3(6) . .
N1 Zn2 O10 C53 82.7(6) . .
O8 Zn2 O10 C53 173.5(6) . .
O12 Zn2 O10 C53 -16.2(6) . .
O16 Zn2 O10 Zn1 81.9(4) . .
N1 Zn2 O10 Zn1 -91.1(2) . .
O8 Zn2 O10 Zn1 -0.3(2) . .
O12 Zn2 O10 Zn1 170.0(2) . .
O2 Zn1 O10 C53 -28.0(7) . .
N7 Zn1 O10 C53 85.1(7) . .
O8 Zn1 O10 C53 -173.0(7) . .
O6 Zn1 O10 C53 -146.2(6) . .
O2 Zn1 O10 Zn2 145.4(2) . .
N7 Zn1 O10 Zn2 -101.6(3) . .
O8 Zn1 O10 Zn2 0.3(2) . .
O6 Zn1 O10 Zn2 27.1(6) . .
O12 C54 O11 Zn4 10.2(8) . .
C52 C54 O11 Zn4 -165.8(5) . .
O13 Zn4 O11 C54 -52.3(5) . .
N5 Zn4 O11 C54 -168.8(5) 3_445 .
N3 Zn4 O11 C54 76.4(5) 3_455 .
O11 C54 O12 Zn2 147.1(5) . .
C52 C54 O12 Zn2 -37.1(10) . .
O16 Zn2 O12 C54 -139.8(6) . .
N1 Zn2 O12 C54 -23.3(6) . .
O10 Zn2 O12 C54 77.7(6) . .
O8 Zn2 O12 C54 102.4(7) . .
O14 C61 O13 Zn4 25.2(10) . .
C55 C61 O13 Zn4 -153.1(5) . .
N5 Zn4 O13 C61 -58.4(6) 3_445 .
O11 Zn4 O13 C61 -167.1(5) . .
N3 Zn4 O13 C61 66.1(6) 3_455 .
O15 C62 O16 Zn2 -9.3(10) . .
C60 C62 O16 Zn2 174.4(5) . .
N1 Zn2 O16 C62 -163.9(5) . .
O10 Zn2 O16 C62 23.7(7) . .
O8 Zn2 O16 C62 98.7(5) . .
O12 Zn2 O16 C62 -61.1(5) . .
