#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:17:38 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179370 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/67/4326705.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_4326705
loop_
_publ_author_name
'Tong-Liang Hu'
'Ying Tao'
'Ze Chang'
'Xian-He Bu'
_publ_section_title
;
 Zinc(II) Complexes with a Versatile Multitopic Tetrazolate-Based Ligand
 Showing Various Structures: Impact of Reaction Conditions on the Final
 Product Structures
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10994
_journal_page_last               11003
_journal_paper_doi               10.1021/ic2015463
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'C54 H40 N38 O3 Zn3'
_chemical_formula_weight         1465.41
_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                109.46(3)
_cell_angle_beta                 101.21(3)
_cell_angle_gamma                109.75(3)
_cell_formula_units_Z            2
_cell_length_a                   13.551(3)
_cell_length_b                   16.181(3)
_cell_length_c                   16.540(3)
_cell_measurement_reflns_used    24393
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.7
_cell_measurement_theta_min      3.1
_cell_volume                     3019.7(17)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  SCX-MINI
_diffrn_measurement_method       'ω 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  0.0808
_diffrn_reflns_av_sigmaI/netI    0.1055
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            26048
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         3.06
_exptl_absorpt_coefficient_mu    1.263
_exptl_absorpt_correction_T_max  0.8841
_exptl_absorpt_correction_T_min  0.8841
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.612
_exptl_crystal_density_meas      ?
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1487
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.819
_refine_diff_density_min         -0.503
_refine_diff_density_rms         0.086
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     879
_refine_ls_number_reflns         10596
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.079
_refine_ls_R_factor_all          0.1216
_refine_ls_R_factor_gt           0.0719
_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)+(0.0414P)²+4.9824P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1272
_refine_ls_wR_factor_ref         0.1445
_reflns_number_gt                6974
_reflns_number_total             10596
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic2015463_si_002_4.cif
_cod_data_source_block           4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        3019.7(10)
_cod_database_code               4326705
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 0.49543(6) 0.57685(5) 0.17524(4) 0.03166(19) Uani 1 1 d .
Zn2 Zn 1.17041(5) 1.45683(5) 0.57347(4) 0.03006(19) Uani 1 1 d .
Zn3 Zn 0.58919(5) 1.20353(5) 0.51088(5) 0.03213(19) Uani 1 1 d .
C1 C 0.4532(5) 0.5879(4) -0.0005(4) 0.0293(14) Uani 1 1 d .
C2 C 0.2774(5) 0.4381(4) -0.1891(4) 0.0327(14) Uani 1 1 d .
C3 C 0.3546(5) 0.5007(4) -0.0192(4) 0.0308(14) Uani 1 1 d .
C4 C 0.2705(5) 0.4324(4) -0.1029(4) 0.0344(15) Uani 1 1 d .
C5 C 0.1847(5) 0.3441(5) -0.0315(4) 0.0410(16) Uani 1 1 d .
C6 C 0.2690(5) 0.4115(4) 0.0531(4) 0.0332(14) Uani 1 1 d .
C7 C 0.2818(5) 0.4093(4) 0.1438(4) 0.0325(14) Uani 1 1 d .
C8 C 0.1955(6) 0.3577(5) 0.1650(5) 0.0513(19) Uani 1 1 d .
H8 H 0.1241 0.3204 0.1215 0.062 Uiso 1 1 calc R
C9 C 0.2162(7) 0.3619(5) 0.2525(5) 0.062(2) Uani 1 1 d .
H9 H 0.1588 0.3290 0.2690 0.074 Uiso 1 1 calc R
C10 C 0.3241(7) 0.4160(5) 0.3138(5) 0.062(2) Uani 1 1 d .
H10 H 0.3420 0.4161 0.3711 0.074 Uiso 1 1 calc R
C11 C 0.4042(6) 0.4692(5) 0.2895(4) 0.0464(17) Uani 1 1 d .
H11 H 0.4761 0.5081 0.3321 0.056 Uiso 1 1 calc R
C12 C 0.0945(6) 0.2494(6) -0.0486(5) 0.058(2) Uani 1 1 d .
C13 C -0.0114(6) 0.2252(6) -0.0917(5) 0.071(3) Uani 1 1 d .
H13 H -0.0295 0.2677 -0.1108 0.085 Uiso 1 1 calc R
C14 C -0.0936(8) 0.1392(10) -0.1081(7) 0.123(5) Uani 1 1 d .
H14 H -0.1683 0.1251 -0.1328 0.148 Uiso 1 1 calc R
C15 C -0.0641(10) 0.0723(9) -0.0872(8) 0.132(5) Uani 1 1 d .
H15 H -0.1190 0.0115 -0.1011 0.159 Uiso 1 1 calc R
C16 C 0.0463(10) 0.0964(7) -0.0461(8) 0.113(4) Uani 1 1 d .
H16 H 0.0650 0.0510 -0.0327 0.135 Uiso 1 1 calc R
C17 C 0.9701(5) 1.4856(4) 0.5915(4) 0.0287(14) Uani 1 1 d .
C18 C 0.7204(4) 1.3627(4) 0.4629(4) 0.0287(14) Uani 1 1 d .
C19 C 0.9225(5) 1.3886(4) 0.5149(4) 0.0275(13) Uani 1 1 d .
C20 C 0.8099(4) 1.3298(4) 0.4586(4) 0.0265(13) Uani 1 1 d .
C21 C 0.8569(5) 1.2128(4) 0.3747(4) 0.0378(16) Uani 1 1 d .
C22 C 0.9713(5) 1.2714(4) 0.4285(4) 0.0309(14) Uani 1 1 d .
C23 C 1.0713(5) 1.2527(4) 0.4197(4) 0.0375(15) Uani 1 1 d .
C24 C 1.0648(6) 1.1666(5) 0.3599(6) 0.072(3) Uani 1 1 d .
H24 H 0.9959 1.1145 0.3216 0.087 Uiso 1 1 calc R
C25 C 1.1637(7) 1.1593(6) 0.3579(7) 0.090(3) Uani 1 1 d .
H25 H 1.1615 1.1020 0.3177 0.108 Uiso 1 1 calc R
C26 C 1.2642(6) 1.2363(5) 0.4151(5) 0.058(2) Uani 1 1 d .
H26 H 1.3310 1.2323 0.4147 0.069 Uiso 1 1 calc R
C27 C 1.2639(5) 1.3186(5) 0.4722(4) 0.0392(16) Uani 1 1 d .
H27 H 1.3321 1.3709 0.5116 0.047 Uiso 1 1 calc R
C28 C 0.8124(5) 1.1209(4) 0.2901(4) 0.0387(16) Uani 1 1 d .
C29 C 0.8292(7) 1.1235(5) 0.2124(5) 0.069(2) Uani 1 1 d .
H29 H 0.8745 1.1818 0.2132 0.082 Uiso 1 1 calc R
C30 C 0.7786(8) 1.0389(6) 0.1323(5) 0.083(3) Uani 1 1 d .
H30 H 0.7870 1.0393 0.0780 0.099 Uiso 1 1 calc R
C31 C 0.7159(7) 0.9546(5) 0.1352(5) 0.066(2) Uani 1 1 d .
H31 H 0.6828 0.8958 0.0831 0.079 Uiso 1 1 calc R
C32 C 0.7025(6) 0.9580(5) 0.2160(6) 0.066(2) Uani 1 1 d .
H32 H 0.6582 0.9003 0.2167 0.080 Uiso 1 1 calc R
C33 C 0.4912(5) 0.9979(4) 0.3833(4) 0.0322(14) Uani 1 1 d .
C34 C 0.5731(5) 0.8380(4) 0.3800(4) 0.0303(14) Uani 1 1 d .
C35 C 0.6002(5) 1.0139(4) 0.4386(4) 0.0315(14) Uani 1 1 d .
C36 C 0.6413(5) 0.9453(4) 0.4359(4) 0.0326(14) Uani 1 1 d .
C37 C 0.8109(5) 1.0674(4) 0.5426(4) 0.0347(15) Uani 1 1 d .
C38 C 0.7650(5) 1.1349(4) 0.5560(4) 0.0334(14) Uani 1 1 d .
C39 C 0.8175(5) 1.2368(4) 0.6301(4) 0.0326(14) Uani 1 1 d .
C40 C 0.9135(6) 1.2784(5) 0.7043(5) 0.061(2) Uani 1 1 d .
H40 H 0.9556 1.2443 0.7101 0.074 Uiso 1 1 calc R
C41 C 0.9466(6) 1.3707(5) 0.7699(5) 0.063(2) Uani 1 1 d .
H41 H 1.0118 1.3994 0.8201 0.076 Uiso 1 1 calc R
C42 C 0.8856(5) 1.4200(5) 0.7621(4) 0.0460(17) Uani 1 1 d .
H42 H 0.9067 1.4822 0.8065 0.055 Uiso 1 1 calc R
C43 C 0.7910(5) 1.3752(5) 0.6862(4) 0.0440(17) Uani 1 1 d .
H43 H 0.7495 1.4095 0.6796 0.053 Uiso 1 1 calc R
C44 C 0.9305(5) 1.0946(4) 0.5897(5) 0.0435(17) Uani 1 1 d .
C45 C 0.9593(6) 1.0744(6) 0.6622(6) 0.071(2) Uani 1 1 d .
H45 H 0.9042 1.0403 0.6801 0.085 Uiso 1 1 calc R
C46 C 1.0696(7) 1.1049(6) 0.7084(6) 0.086(3) Uani 1 1 d .
H46 H 1.0908 1.0917 0.7580 0.103 Uiso 1 1 calc R
C47 C 1.1481(7) 1.1550(6) 0.6803(7) 0.075(3) Uani 1 1 d .
H47 H 1.2236 1.1755 0.7097 0.090 Uiso 1 1 calc R
C48 C 1.1145(7) 1.1744(7) 0.6095(6) 0.083(3) Uani 1 1 d .
H48 H 1.1687 1.2083 0.5909 0.100 Uiso 1 1 calc R
C49 C 0.5640(11) 0.2691(9) 0.2096(8) 0.191(7) Uani 1 1 d .
H49A H 0.5401 0.3174 0.2053 0.287 Uiso 1 1 calc R
H49B H 0.6137 0.2644 0.1760 0.287 Uiso 1 1 calc R
H49C H 0.6021 0.2873 0.2726 0.287 Uiso 1 1 calc R
C50 C 0.4902(17) 0.0992(13) 0.1735(15) 0.269(12) Uani 1 1 d .
H50A H 0.4207 0.0416 0.1468 0.404 Uiso 1 1 calc R
H50B H 0.5260 0.1121 0.2353 0.404 Uiso 1 1 calc R
H50C H 0.5378 0.0897 0.1388 0.404 Uiso 1 1 calc R
C51 C 0.3722(16) 0.1638(15) 0.1371(12) 0.199(8) Uani 1 1 d .
H51 H 0.3594 0.2180 0.1422 0.239 Uiso 1 1 calc R
C52 C 0.2611(18) 0.662(2) 0.0987(11) 0.281(14) Uani 1 1 d .
H52A H 0.3119 0.7017 0.1605 0.421 Uiso 1 1 calc R
H52B H 0.2732 0.6047 0.0735 0.421 Uiso 1 1 calc R
H52C H 0.1856 0.6423 0.0980 0.421 Uiso 1 1 calc R
C53 C 0.3638(15) 0.8126(15) 0.0553(15) 0.280(13) Uani 1 1 d .
H53A H 0.3468 0.8259 0.0031 0.421 Uiso 1 1 calc R
H53B H 0.4356 0.8118 0.0668 0.421 Uiso 1 1 calc R
H53C H 0.3649 0.8623 0.1077 0.421 Uiso 1 1 calc R
C54 C 0.2088(19) 0.6685(19) -0.0593(13) 0.229(9) Uani 1 1 d D
H54 H 0.1951 0.6777 -0.1122 0.275 Uiso 1 1 calc R
N1 N 0.5300(4) 0.6359(3) 0.0823(3) 0.0339(12) Uani 1 1 d .
N2 N 0.6081(5) 0.7117(4) 0.0800(4) 0.0504(15) Uani 1 1 d .
N3 N 0.5775(5) 0.7084(4) -0.0022(4) 0.0562(16) Uani 1 1 d .
N4 N 0.4779(4) 0.6289(4) -0.0556(3) 0.0450(14) Uani 1 1 d .
N5 N 0.3599(4) 0.4328(3) -0.2198(3) 0.0320(12) Uani 1 1 d .
N6 N 0.3367(4) 0.4379(4) -0.2997(3) 0.0373(12) Uani 1 1 d .
N7 N 0.2426(4) 0.4460(4) -0.3144(3) 0.0370(13) Uani 1 1 d .
N8 N 0.2026(4) 0.4466(4) -0.2462(3) 0.0408(13) Uani 1 1 d .
N9 N 0.3522(4) 0.4874(3) 0.0564(3) 0.0297(11) Uani 1 1 d .
N10 N 0.1857(4) 0.3567(4) -0.1076(3) 0.0428(14) Uani 1 1 d .
N11 N 0.3828(4) 0.4674(3) 0.2062(3) 0.0342(12) Uani 1 1 d .
N12 N 0.1310(6) 0.1869(6) -0.0240(5) 0.095(2) Uani 1 1 d .
N13 N 1.0812(4) 1.5315(3) 0.6304(3) 0.0307(11) Uani 1 1 d .
N14 N 1.1016(4) 1.6163(4) 0.6981(4) 0.0448(14) Uani 1 1 d .
N15 N 1.0048(5) 1.6197(4) 0.6973(4) 0.0460(14) Uani 1 1 d .
N16 N 0.9193(4) 1.5366(3) 0.6286(3) 0.0362(12) Uani 1 1 d .
N17 N 0.6253(4) 1.3141(3) 0.4722(3) 0.0321(12) Uani 1 1 d .
N18 N 0.5625(4) 1.3627(4) 0.4652(3) 0.0392(13) Uani 1 1 d .
N19 N 0.6176(4) 1.4369(4) 0.4507(3) 0.0370(13) Uani 1 1 d .
N20 N 0.7185(4) 1.4387(3) 0.4492(3) 0.0308(11) Uani 1 1 d .
N21 N 0.9988(4) 1.3571(3) 0.4987(3) 0.0285(11) Uani 1 1 d .
N22 N 0.7790(4) 1.2418(3) 0.3914(3) 0.0351(12) Uani 1 1 d .
N23 N 1.1696(4) 1.3283(3) 0.4748(3) 0.0328(12) Uani 1 1 d .
N24 N 0.7498(4) 1.0400(4) 0.2942(4) 0.0496(15) Uani 1 1 d .
N25 N 0.4670(4) 1.0737(4) 0.3996(3) 0.0389(13) Uani 1 1 d .
N26 N 0.3623(5) 1.0387(5) 0.3424(4) 0.0605(17) Uani 1 1 d .
N27 N 0.3275(5) 0.9447(5) 0.2929(4) 0.072(2) Uani 1 1 d .
N28 N 0.4090(5) 0.9160(4) 0.3182(4) 0.0527(16) Uani 1 1 d .
N29 N 0.5859(4) 0.7871(3) 0.3054(3) 0.0386(13) Uani 1 1 d .
N30 N 0.5125(4) 0.6950(3) 0.2806(3) 0.0346(12) Uani 1 1 d .
N31 N 0.4597(4) 0.6907(3) 0.3379(3) 0.0388(13) Uani 1 1 d .
N32 N 0.4963(4) 0.7816(3) 0.4022(3) 0.0333(12) Uani 1 1 d .
N33 N 0.6624(4) 1.1063(3) 0.5007(3) 0.0315(12) Uani 1 1 d .
N34 N 0.7473(4) 0.9728(3) 0.4857(3) 0.0390(13) Uani 1 1 d .
N35 N 0.7549(4) 1.2854(3) 0.6212(3) 0.0346(12) Uani 1 1 d .
N36 N 1.0053(5) 1.1468(5) 0.5638(4) 0.075(2) Uani 1 1 d .
N37 N 0.4698(9) 0.1779(7) 0.1728(6) 0.108(3) Uani 1 1 d .
N38 N 0.2826(10) 0.7225(8) 0.0381(12) 0.153(5) Uani 1 1 d .
O1 O 0.2903(10) 0.0820(11) 0.0949(8) 0.274(8) Uani 1 1 d .
O2 O 0.168(2) 0.592(2) -0.027(2) 0.469(17) Uiso 1 1 d D
O1W O 0.0481(18) 0.4603(17) 0.0125(12) 0.432(14) 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
N30 Zn1 N5 102.6(2) . 2_665
N30 Zn1 N9 124.89(19) . .
N5 Zn1 N9 132.41(18) 2_665 .
N30 Zn1 N1 100.64(19) . .
N5 Zn1 N1 100.34(19) 2_665 .
N9 Zn1 N1 76.10(18) . .
N30 Zn1 N11 96.85(19) . .
N5 Zn1 N11 99.78(19) 2_665 .
N9 Zn1 N11 73.57(18) . .
N1 Zn1 N11 149.66(18) . .
N7 Zn2 N20 111.7(2) 1_666 2_786
N7 Zn2 N13 97.5(2) 1_666 .
N20 Zn2 N13 100.61(18) 2_786 .
N7 Zn2 N21 116.11(19) 1_666 .
N20 Zn2 N21 132.11(18) 2_786 .
N13 Zn2 N21 75.56(18) . .
N7 Zn2 N23 96.35(19) 1_666 .
N20 Zn2 N23 99.34(19) 2_786 .
N13 Zn2 N23 149.45(18) . .
N21 Zn2 N23 73.89(18) . .
N32 Zn3 N17 111.17(19) 2_676 .
N32 Zn3 N25 99.74(19) 2_676 .
N17 Zn3 N25 109.4(2) . .
N32 Zn3 N33 118.29(19) 2_676 .
N17 Zn3 N33 128.33(18) . .
N25 Zn3 N33 76.77(19) . .
N32 Zn3 N35 94.12(19) 2_676 .
N17 Zn3 N35 89.68(18) . .
N25 Zn3 N35 150.1(2) . .
N33 Zn3 N35 73.33(18) . .
N1 C1 N4 112.7(5) . .
N1 C1 C3 118.4(5) . .
N4 C1 C3 128.9(5) . .
N8 C2 N5 111.4(5) . .
N8 C2 C4 125.1(6) . .
N5 C2 C4 123.5(5) . .
N9 C3 C4 119.4(5) . .
N9 C3 C1 112.0(5) . .
C4 C3 C1 128.6(5) . .
N10 C4 C3 120.7(5) . .
N10 C4 C2 118.2(5) . .
C3 C4 C2 120.9(5) . .
N10 C5 C6 120.8(6) . .
N10 C5 C12 113.6(6) . .
C6 C5 C12 125.3(5) . .
N9 C6 C5 118.9(5) . .
N9 C6 C7 112.8(5) . .
C5 C6 C7 128.3(5) . .
N11 C7 C8 121.4(6) . .
N11 C7 C6 114.6(5) . .
C8 C7 C6 123.9(6) . .
C7 C8 C9 119.3(7) . .
C7 C8 H8 120.4 . .
C9 C8 H8 120.4 . .
C10 C9 C8 118.3(7) . .
C10 C9 H9 120.9 . .
C8 C9 H9 120.9 . .
C11 C10 C9 119.1(7) . .
C11 C10 H10 120.4 . .
C9 C10 H10 120.4 . .
N11 C11 C10 122.2(6) . .
N11 C11 H11 118.9 . .
C10 C11 H11 118.9 . .
C13 C12 N12 123.7(7) . .
C13 C12 C5 120.5(7) . .
N12 C12 C5 115.5(6) . .
C12 C13 C14 120.8(9) . .
C12 C13 H13 119.6 . .
C14 C13 H13 119.6 . .
C13 C14 C15 118.7(10) . .
C13 C14 H14 120.6 . .
C15 C14 H14 120.6 . .
C16 C15 C14 119.9(10) . .
C16 C15 H15 120.0 . .
C14 C15 H15 120.0 . .
C15 C16 N12 121.7(11) . .
C15 C16 H16 119.1 . .
N12 C16 H16 119.1 . .
N16 C17 N13 113.4(5) . .
N16 C17 C19 129.7(5) . .
N13 C17 C19 116.9(5) . .
N20 C18 N17 110.4(5) . .
N20 C18 C20 125.1(5) . .
N17 C18 C20 124.2(5) . .
N21 C19 C20 119.0(5) . .
N21 C19 C17 113.4(5) . .
C20 C19 C17 127.6(5) . .
N22 C20 C19 120.6(5) . .
N22 C20 C18 115.7(5) . .
C19 C20 C18 123.5(5) . .
N22 C21 C22 121.3(6) . .
N22 C21 C28 113.3(5) . .
C22 C21 C28 125.1(6) . .
N21 C22 C21 117.7(5) . .
N21 C22 C23 112.9(5) . .
C21 C22 C23 129.3(6) . .
N23 C23 C24 121.5(6) . .
N23 C23 C22 114.2(5) . .
C24 C23 C22 124.3(6) . .
C23 C24 C25 118.4(7) . .
C23 C24 H24 120.8 . .
C25 C24 H24 120.8 . .
C26 C25 C24 120.0(7) . .
C26 C25 H25 120.0 . .
C24 C25 H25 120.0 . .
C27 C26 C25 118.2(6) . .
C27 C26 H26 120.9 . .
C25 C26 H26 120.9 . .
N23 C27 C26 123.1(6) . .
N23 C27 H27 118.4 . .
C26 C27 H27 118.4 . .
N24 C28 C29 123.5(6) . .
N24 C28 C21 116.0(6) . .
C29 C28 C21 120.2(6) . .
C28 C29 C30 119.5(7) . .
C28 C29 H29 120.3 . .
C30 C29 H29 120.3 . .
C31 C30 C29 118.1(8) . .
C31 C30 H30 121.0 . .
C29 C30 H30 121.0 . .
C30 C31 C32 118.9(7) . .
C30 C31 H31 120.5 . .
C32 C31 H31 120.5 . .
N24 C32 C31 123.7(7) . .
N24 C32 H32 118.2 . .
C31 C32 H32 118.2 . .
N28 C33 N25 113.0(6) . .
N28 C33 C35 128.8(6) . .
N25 C33 C35 118.1(5) . .
N29 C34 N32 111.9(5) . .
N29 C34 C36 123.8(5) . .
N32 C34 C36 124.2(5) . .
N33 C35 C36 119.0(5) . .
N33 C35 C33 113.0(5) . .
C36 C35 C33 128.0(5) . .
N34 C36 C35 120.9(5) . .
N34 C36 C34 115.4(5) . .
C35 C36 C34 123.7(5) . .
N34 C37 C38 120.8(5) . .
N34 C37 C44 115.9(5) . .
C38 C37 C44 123.3(5) . .
N33 C38 C37 118.3(5) . .
N33 C38 C39 114.9(5) . .
C37 C38 C39 126.7(5) . .
N35 C39 C40 120.9(6) . .
N35 C39 C38 112.4(5) . .
C40 C39 C38 126.5(6) . .
C41 C40 C39 119.4(7) . .
C41 C40 H40 120.3 . .
C39 C40 H40 120.3 . .
C42 C41 C40 120.5(7) . .
C42 C41 H41 119.7 . .
C40 C41 H41 119.7 . .
C41 C42 C43 117.5(6) . .
C41 C42 H42 121.2 . .
C43 C42 H42 121.2 . .
N35 C43 C42 124.1(6) . .
N35 C43 H43 117.9 . .
C42 C43 H43 117.9 . .
N36 C44 C45 122.9(6) . .
N36 C44 C37 116.8(6) . .
C45 C44 C37 119.9(6) . .
C44 C45 C46 119.5(8) . .
C44 C45 H45 120.3 . .
C46 C45 H45 120.3 . .
C47 C46 C45 118.6(8) . .
C47 C46 H46 120.7 . .
C45 C46 H46 120.7 . .
C48 C47 C46 119.1(8) . .
C48 C47 H47 120.4 . .
C46 C47 H47 120.4 . .
C47 C48 N36 123.4(8) . .
C47 C48 H48 118.3 . .
N36 C48 H48 118.3 . .
N37 C49 H49A 109.5 . .
N37 C49 H49B 109.5 . .
H49A C49 H49B 109.5 . .
N37 C49 H49C 109.5 . .
H49A C49 H49C 109.5 . .
H49B C49 H49C 109.5 . .
N37 C50 H50A 109.5 . .
N37 C50 H50B 109.5 . .
H50A C50 H50B 109.5 . .
N37 C50 H50C 109.5 . .
H50A C50 H50C 109.5 . .
H50B C50 H50C 109.5 . .
N37 C51 O1 125(2) . .
N37 C51 H51 117.7 . .
O1 C51 H51 117.7 . .
N38 C52 H52A 109.5 . .
N38 C52 H52B 109.5 . .
H52A C52 H52B 109.5 . .
N38 C52 H52C 109.5 . .
H52A C52 H52C 109.5 . .
H52B C52 H52C 109.5 . .
N38 C53 H53A 109.5 . .
N38 C53 H53B 109.5 . .
H53A C53 H53B 109.5 . .
N38 C53 H53C 109.5 . .
H53A C53 H53C 109.5 . .
H53B C53 H53C 109.5 . .
N38 C54 O2 79.9(17) . .
N38 C54 H54 140.0 . .
O2 C54 H54 140.0 . .
C1 N1 N2 105.4(5) . .
C1 N1 Zn1 115.1(4) . .
N2 N1 Zn1 139.5(4) . .
N3 N2 N1 108.8(5) . .
N2 N3 N4 109.4(5) . .
C1 N4 N3 103.7(5) . .
C2 N5 N6 106.6(5) . .
C2 N5 Zn1 136.8(4) . 2_665
N6 N5 Zn1 116.6(4) . 2_665
N7 N6 N5 106.8(5) . .
N6 N7 N8 111.7(4) . .
N6 N7 Zn2 122.8(4) . 1_444
N8 N7 Zn2 125.4(4) . 1_444
C2 N8 N7 103.4(5) . .
C6 N9 C3 120.9(5) . .
C6 N9 Zn1 120.7(4) . .
C3 N9 Zn1 117.7(4) . .
C4 N10 C5 119.2(5) . .
C7 N11 C11 119.5(5) . .
C7 N11 Zn1 116.6(4) . .
C11 N11 Zn1 122.7(4) . .
C16 N12 C12 114.8(8) . .
C17 N13 N14 104.6(5) . .
C17 N13 Zn2 116.2(4) . .
N14 N13 Zn2 139.2(4) . .
N15 N14 N13 108.6(5) . .
N14 N15 N16 109.7(5) . .
C17 N16 N15 103.6(5) . .
C18 N17 N18 106.2(5) . .
C18 N17 Zn3 127.8(4) . .
N18 N17 Zn3 125.3(4) . .
N19 N18 N17 108.7(4) . .
N18 N19 N20 109.0(5) . .
C18 N20 N19 105.7(4) . .
C18 N20 Zn2 133.1(4) . 2_786
N19 N20 Zn2 121.2(4) . 2_786
C19 N21 C22 121.8(5) . .
C19 N21 Zn2 117.5(4) . .
C22 N21 Zn2 119.9(4) . .
C21 N22 C20 119.4(5) . .
C23 N23 C27 118.7(5) . .
C23 N23 Zn2 118.5(4) . .
C27 N23 Zn2 122.5(4) . .
C28 N24 C32 116.2(6) . .
C33 N25 N26 106.0(5) . .
C33 N25 Zn3 114.6(4) . .
N26 N25 Zn3 139.0(4) . .
N27 N26 N25 107.7(5) . .
N26 N27 N28 110.4(5) . .
C33 N28 N27 102.9(5) . .
C34 N29 N30 103.7(5) . .
N31 N30 N29 111.2(5) . .
N31 N30 Zn1 123.7(4) . .
N29 N30 Zn1 124.9(4) . .
N30 N31 N32 107.8(5) . .
C34 N32 N31 105.4(5) . .
C34 N32 Zn3 138.7(4) . 2_676
N31 N32 Zn3 115.3(4) . 2_676
C38 N33 C35 121.4(5) . .
C38 N33 Zn3 121.3(4) . .
C35 N33 Zn3 117.3(4) . .
C36 N34 C37 118.5(5) . .
C43 N35 C39 117.6(5) . .
C43 N35 Zn3 124.2(4) . .
C39 N35 Zn3 117.7(4) . .
C44 N36 C48 116.4(7) . .
C51 N37 C50 119.1(15) . .
C51 N37 C49 124.0(15) . .
C50 N37 C49 116.8(14) . .
C53 N38 C54 111(2) . .
C53 N38 C52 133.5(19) . .
C54 N38 C52 114.9(14) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 N30 2.018(5) .
Zn1 N5 2.033(5) 2_665
Zn1 N9 2.109(5) .
Zn1 N1 2.110(5) .
Zn1 N11 2.193(5) .
Zn2 N7 2.013(5) 1_666
Zn2 N20 2.047(5) 2_786
Zn2 N13 2.116(5) .
Zn2 N21 2.135(5) .
Zn2 N23 2.169(5) .
Zn3 N32 2.018(5) 2_676
Zn3 N17 2.036(5) .
Zn3 N25 2.104(5) .
Zn3 N33 2.105(5) .
Zn3 N35 2.217(5) .
C1 N1 1.323(7) .
C1 N4 1.326(7) .
C1 C3 1.464(8) .
C2 N8 1.323(7) .
C2 N5 1.331(7) .
C2 C4 1.477(8) .
C3 N9 1.343(7) .
C3 C4 1.398(8) .
C4 N10 1.332(7) .
C5 N10 1.343(7) .
C5 C6 1.404(8) .
C5 C12 1.494(9) .
C6 N9 1.333(7) .
C6 C7 1.490(8) .
C7 N11 1.326(7) .
C7 C8 1.372(8) .
C8 C9 1.393(9) .
C8 H8 0.9300 .
C9 C10 1.378(10) .
C9 H9 0.9300 .
C10 C11 1.360(9) .
C10 H10 0.9300 .
C11 N11 1.340(7) .
C11 H11 0.9300 .
C12 C13 1.325(9) .
C12 N12 1.403(10) .
C13 C14 1.354(12) .
C13 H13 0.9300 .
C14 C15 1.391(15) .
C14 H14 0.9300 .
C15 C16 1.373(14) .
C15 H15 0.9300 .
C16 N12 1.393(10) .
C16 H16 0.9300 .
C17 N16 1.320(7) .
C17 N13 1.336(7) .
C17 C19 1.469(8) .
C18 N20 1.330(7) .
C18 N17 1.332(7) .
C18 C20 1.484(8) .
C19 N21 1.332(7) .
C19 C20 1.406(7) .
C20 N22 1.342(7) .
C21 N22 1.331(7) .
C21 C22 1.416(8) .
C21 C28 1.487(8) .
C22 N21 1.349(7) .
C22 C23 1.508(8) .
C23 N23 1.336(7) .
C23 C24 1.376(9) .
C24 C25 1.390(9) .
C24 H24 0.9300 .
C25 C26 1.367(10) .
C25 H25 0.9300 .
C26 C27 1.354(9) .
C26 H26 0.9300 .
C27 N23 1.346(7) .
C27 H27 0.9300 .
C28 N24 1.330(7) .
C28 C29 1.359(9) .
C29 C30 1.379(10) .
C29 H29 0.9300 .
C30 C31 1.363(10) .
C30 H30 0.9300 .
C31 C32 1.369(10) .
C31 H31 0.9300 .
C32 N24 1.344(9) .
C32 H32 0.9300 .
C33 N28 1.320(7) .
C33 N25 1.331(7) .
C33 C35 1.463(8) .
C34 N29 1.317(7) .
C34 N32 1.334(7) .
C34 C36 1.496(8) .
C35 N33 1.337(7) .
C35 C36 1.394(8) .
C36 N34 1.342(7) .
C37 N34 1.345(7) .
C37 C38 1.408(8) .
C37 C44 1.492(8) .
C38 N33 1.331(7) .
C38 C39 1.499(8) .
C39 N35 1.356(7) .
C39 C40 1.374(8) .
C40 C41 1.374(9) .
C40 H40 0.9300 .
C41 C42 1.346(9) .
C41 H41 0.9300 .
C42 C43 1.373(8) .
C42 H42 0.9300 .
C43 N35 1.334(7) .
C43 H43 0.9300 .
C44 N36 1.325(8) .
C44 C45 1.365(9) .
C45 C46 1.367(10) .
C45 H45 0.9300 .
C46 C47 1.366(11) .
C46 H46 0.9300 .
C47 C48 1.345(11) .
C47 H47 0.9300 .
C48 N36 1.362(9) .
C48 H48 0.9300 .
C49 N37 1.415(12) .
C49 H49A 0.9600 .
C49 H49B 0.9600 .
C49 H49C 0.9600 .
C50 N37 1.394(16) .
C50 H50A 0.9600 .
C50 H50B 0.9600 .
C50 H50C 0.9600 .
C51 N37 1.247(17) .
C51 O1 1.250(17) .
C51 H51 0.9300 .
C52 N38 1.624(19) .
C52 H52A 0.9600 .
C52 H52B 0.9600 .
C52 H52C 0.9600 .
C53 N38 1.392(19) .
C53 H53A 0.9600 .
C53 H53B 0.9600 .
C53 H53C 0.9600 .
C54 N38 1.485(19) .
C54 O2 1.49(3) .
C54 H54 0.9300 .
N1 N2 1.340(6) .
N2 N3 1.321(7) .
N3 N4 1.365(7) .
N5 N6 1.334(6) .
N5 Zn1 2.033(5) 2_665
N6 N7 1.310(6) .
N7 N8 1.342(6) .
N7 Zn2 2.013(5) 1_444
N13 N14 1.347(6) .
N14 N15 1.329(7) .
N15 N16 1.364(7) .
N17 N18 1.353(6) .
N18 N19 1.308(6) .
N19 N20 1.362(6) .
N20 Zn2 2.047(5) 2_786
N25 N26 1.345(7) .
N26 N27 1.320(8) .
N27 N28 1.380(8) .
N29 N30 1.345(6) .
N30 N31 1.300(6) .
N31 N32 1.342(6) .
N32 Zn3 2.018(5) 2_676
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
N1 C1 C3 N9 6.1(7) . .
N4 C1 C3 N9 -172.7(6) . .
N1 C1 C3 C4 -171.4(6) . .
N4 C1 C3 C4 9.8(10) . .
N9 C3 C4 N10 2.9(9) . .
C1 C3 C4 N10 -179.8(6) . .
N9 C3 C4 C2 -172.6(5) . .
C1 C3 C4 C2 4.7(9) . .
N8 C2 C4 N10 63.1(8) . .
N5 C2 C4 N10 -115.2(6) . .
N8 C2 C4 C3 -121.3(7) . .
N5 C2 C4 C3 60.4(8) . .
N10 C5 C6 N9 -1.8(9) . .
C12 C5 C6 N9 171.8(6) . .
N10 C5 C6 C7 -179.7(6) . .
C12 C5 C6 C7 -6.1(11) . .
N9 C6 C7 N11 -14.9(8) . .
C5 C6 C7 N11 163.1(6) . .
N9 C6 C7 C8 160.4(6) . .
C5 C6 C7 C8 -21.6(10) . .
N11 C7 C8 C9 -3.9(10) . .
C6 C7 C8 C9 -179.0(6) . .
C7 C8 C9 C10 -1.8(11) . .
C8 C9 C10 C11 5.1(12) . .
C9 C10 C11 N11 -3.1(11) . .
N10 C5 C12 C13 -55.6(10) . .
C6 C5 C12 C13 130.4(8) . .
N10 C5 C12 N12 118.7(7) . .
C6 C5 C12 N12 -55.3(10) . .
N12 C12 C13 C14 5.6(14) . .
C5 C12 C13 C14 179.5(9) . .
C12 C13 C14 C15 -6.4(17) . .
C13 C14 C15 C16 4(2) . .
C14 C15 C16 N12 0.2(19) . .
N16 C17 C19 N21 -176.6(6) . .
N13 C17 C19 N21 4.1(7) . .
N16 C17 C19 C20 4.9(10) . .
N13 C17 C19 C20 -174.3(5) . .
N21 C19 C20 N22 2.2(8) . .
C17 C19 C20 N22 -179.4(5) . .
N21 C19 C20 C18 -172.1(5) . .
C17 C19 C20 C18 6.3(9) . .
N20 C18 C20 N22 -115.1(6) . .
N17 C18 C20 N22 57.9(7) . .
N20 C18 C20 C19 59.4(8) . .
N17 C18 C20 C19 -127.5(6) . .
N22 C21 C22 N21 1.4(9) . .
C28 C21 C22 N21 174.2(5) . .
N22 C21 C22 C23 -178.7(6) . .
C28 C21 C22 C23 -5.9(10) . .
N21 C22 C23 N23 -7.9(7) . .
C21 C22 C23 N23 172.2(6) . .
N21 C22 C23 C24 173.1(7) . .
C21 C22 C23 C24 -6.9(11) . .
N23 C23 C24 C25 0.3(12) . .
C22 C23 C24 C25 179.3(7) . .
C23 C24 C25 C26 0.5(14) . .
C24 C25 C26 C27 -0.3(14) . .
C25 C26 C27 N23 -0.6(11) . .
N22 C21 C28 N24 -72.3(7) . .
C22 C21 C28 N24 114.4(7) . .
N22 C21 C28 C29 102.7(7) . .
C22 C21 C28 C29 -70.6(9) . .
N24 C28 C29 C30 0.7(12) . .
C21 C28 C29 C30 -173.9(7) . .
C28 C29 C30 C31 -2.0(13) . .
C29 C30 C31 C32 2.4(13) . .
C30 C31 C32 N24 -1.4(13) . .
N28 C33 C35 N33 -178.1(6) . .
N25 C33 C35 N33 0.3(8) . .
N28 C33 C35 C36 -1.1(10) . .
N25 C33 C35 C36 177.4(6) . .
N33 C35 C36 N34 -9.1(8) . .
C33 C35 C36 N34 174.0(5) . .
N33 C35 C36 C34 170.1(5) . .
C33 C35 C36 C34 -6.8(9) . .
N29 C34 C36 N34 -73.1(8) . .
N32 C34 C36 N34 103.3(7) . .
N29 C34 C36 C35 107.7(7) . .
N32 C34 C36 C35 -76.0(8) . .
N34 C37 C38 N33 -10.4(9) . .
C44 C37 C38 N33 170.0(6) . .
N34 C37 C38 C39 166.3(6) . .
C44 C37 C38 C39 -13.2(10) . .
N33 C38 C39 N35 -6.8(7) . .
C37 C38 C39 N35 176.3(6) . .
N33 C38 C39 C40 168.5(6) . .
C37 C38 C39 C40 -8.4(10) . .
N35 C39 C40 C41 -0.5(11) . .
C38 C39 C40 C41 -175.4(6) . .
C39 C40 C41 C42 0.4(12) . .
C40 C41 C42 C43 -0.9(11) . .
C41 C42 C43 N35 1.6(10) . .
N34 C37 C44 N36 109.7(7) . .
C38 C37 C44 N36 -70.7(9) . .
N34 C37 C44 C45 -76.9(8) . .
C38 C37 C44 C45 102.6(8) . .
N36 C44 C45 C46 -3.1(12) . .
C37 C44 C45 C46 -176.1(7) . .
C44 C45 C46 C47 0.1(13) . .
C45 C46 C47 C48 1.2(14) . .
C46 C47 C48 N36 0.3(15) . .
N4 C1 N1 N2 -0.1(7) . .
C3 C1 N1 N2 -179.1(5) . .
N4 C1 N1 Zn1 178.8(4) . .
C3 C1 N1 Zn1 -0.2(7) . .
N30 Zn1 N1 C1 -127.1(4) . .
N5 Zn1 N1 C1 127.9(4) 2_665 .
N9 Zn1 N1 C1 -3.5(4) . .
N11 Zn1 N1 C1 -2.9(6) . .
N30 Zn1 N1 N2 51.3(6) . .
N5 Zn1 N1 N2 -53.7(6) 2_665 .
N9 Zn1 N1 N2 174.9(6) . .
N11 Zn1 N1 N2 175.5(5) . .
C1 N1 N2 N3 0.3(7) . .
Zn1 N1 N2 N3 -178.2(5) . .
N1 N2 N3 N4 -0.4(7) . .
N1 C1 N4 N3 -0.2(7) . .
C3 C1 N4 N3 178.7(6) . .
N2 N3 N4 C1 0.3(7) . .
N8 C2 N5 N6 -0.2(7) . .
C4 C2 N5 N6 178.3(5) . .
N8 C2 N5 Zn1 178.0(4) . 2_665
C4 C2 N5 Zn1 -3.5(9) . 2_665
C2 N5 N6 N7 0.1(6) . .
Zn1 N5 N6 N7 -178.5(3) 2_665 .
N5 N6 N7 N8 0.1(6) . .
N5 N6 N7 Zn2 179.8(4) . 1_444
N5 C2 N8 N7 0.2(6) . .
C4 C2 N8 N7 -178.3(5) . .
N6 N7 N8 C2 -0.2(6) . .
Zn2 N7 N8 C2 -179.9(4) 1_444 .
C5 C6 N9 C3 1.4(8) . .
C7 C6 N9 C3 179.6(5) . .
C5 C6 N9 Zn1 -168.9(4) . .
C7 C6 N9 Zn1 9.3(6) . .
C4 C3 N9 C6 -1.9(8) . .
C1 C3 N9 C6 -179.7(5) . .
C4 C3 N9 Zn1 168.6(4) . .
C1 C3 N9 Zn1 -9.1(6) . .
N30 Zn1 N9 C6 -88.9(5) . .
N5 Zn1 N9 C6 86.3(5) 2_665 .
N1 Zn1 N9 C6 177.7(5) . .
N11 Zn1 N9 C6 -2.0(4) . .
N30 Zn1 N9 C3 100.6(4) . .
N5 Zn1 N9 C3 -84.2(5) 2_665 .
N1 Zn1 N9 C3 7.2(4) . .
N11 Zn1 N9 C3 -172.5(4) . .
C3 C4 N10 C5 -3.2(9) . .
C2 C4 N10 C5 172.4(6) . .
C6 C5 N10 C4 2.7(9) . .
C12 C5 N10 C4 -171.6(6) . .
C8 C7 N11 C11 6.1(9) . .
C6 C7 N11 C11 -178.4(5) . .
C8 C7 N11 Zn1 -161.7(5) . .
C6 C7 N11 Zn1 13.8(7) . .
C10 C11 N11 C7 -2.6(10) . .
C10 C11 N11 Zn1 164.5(5) . .
N30 Zn1 N11 C7 117.5(4) . .
N5 Zn1 N11 C7 -138.4(4) 2_665 .
N9 Zn1 N11 C7 -6.9(4) . .
N1 Zn1 N11 C7 -7.5(7) . .
N30 Zn1 N11 C11 -49.9(5) . .
N5 Zn1 N11 C11 54.2(5) 2_665 .
N9 Zn1 N11 C11 -174.3(5) . .
N1 Zn1 N11 C11 -174.9(4) . .
C15 C16 N12 C12 -1.1(15) . .
C13 C12 N12 C16 -1.7(13) . .
C5 C12 N12 C16 -175.9(7) . .
N16 C17 N13 N14 1.6(7) . .
C19 C17 N13 N14 -179.1(5) . .
N16 C17 N13 Zn2 -178.6(4) . .
C19 C17 N13 Zn2 0.8(6) . .
N7 Zn2 N13 C17 -118.4(4) 1_666 .
N20 Zn2 N13 C17 127.7(4) 2_786 .
N21 Zn2 N13 C17 -3.3(4) . .
N23 Zn2 N13 C17 -2.3(6) . .
N7 Zn2 N13 N14 61.4(6) 1_666 .
N20 Zn2 N13 N14 -52.5(6) 2_786 .
N21 Zn2 N13 N14 176.5(6) . .
N23 Zn2 N13 N14 177.5(5) . .
C17 N13 N14 N15 -0.9(6) . .
Zn2 N13 N14 N15 179.3(4) . .
N13 N14 N15 N16 0.0(7) . .
N13 C17 N16 N15 -1.5(7) . .
C19 C17 N16 N15 179.2(5) . .
N14 N15 N16 C17 0.9(6) . .
N20 C18 N17 N18 -0.8(6) . .
C20 C18 N17 N18 -174.8(5) . .
N20 C18 N17 Zn3 -171.2(4) . .
C20 C18 N17 Zn3 14.9(8) . .
N32 Zn3 N17 C18 138.5(5) 2_676 .
N25 Zn3 N17 C18 -112.3(5) . .
N33 Zn3 N17 C18 -24.0(6) . .
N35 Zn3 N17 C18 44.3(5) . .
N32 Zn3 N17 N18 -30.0(5) 2_676 .
N25 Zn3 N17 N18 79.2(5) . .
N33 Zn3 N17 N18 167.4(4) . .
N35 Zn3 N17 N18 -124.3(4) . .
C18 N17 N18 N19 1.0(6) . .
Zn3 N17 N18 N19 171.6(4) . .
N17 N18 N19 N20 -0.8(6) . .
N17 C18 N20 N19 0.4(6) . .
C20 C18 N20 N19 174.2(5) . .
N17 C18 N20 Zn2 -178.3(4) . 2_786
C20 C18 N20 Zn2 -4.5(9) . 2_786
N18 N19 N20 C18 0.3(6) . .
N18 N19 N20 Zn2 179.2(4) . 2_786
C20 C19 N21 C22 1.5(8) . .
C17 C19 N21 C22 -177.1(5) . .
C20 C19 N21 Zn2 171.5(4) . .
C17 C19 N21 Zn2 -7.1(6) . .
C21 C22 N21 C19 -3.2(8) . .
C23 C22 N21 C19 176.8(5) . .
C21 C22 N21 Zn2 -173.0(4) . .
C23 C22 N21 Zn2 7.1(6) . .
N7 Zn2 N21 C19 97.1(4) 1_666 .
N20 Zn2 N21 C19 -85.5(4) 2_786 .
N13 Zn2 N21 C19 5.8(4) . .
N23 Zn2 N21 C19 -173.6(4) . .
N7 Zn2 N21 C22 -92.7(4) 1_666 .
N20 Zn2 N21 C22 84.7(5) 2_786 .
N13 Zn2 N21 C22 176.0(4) . .
N23 Zn2 N21 C22 -3.4(4) . .
C22 C21 N22 C20 2.2(9) . .
C28 C21 N22 C20 -171.4(5) . .
C19 C20 N22 C21 -4.0(8) . .
C18 C20 N22 C21 170.7(5) . .
C24 C23 N23 C27 -1.2(9) . .
C22 C23 N23 C27 179.7(5) . .
C24 C23 N23 Zn2 -175.6(6) . .
C22 C23 N23 Zn2 5.3(7) . .
C26 C27 N23 C23 1.4(9) . .
C26 C27 N23 Zn2 175.5(5) . .
N7 Zn2 N23 C23 114.0(4) 1_666 .
N20 Zn2 N23 C23 -132.7(4) 2_786 .
N13 Zn2 N23 C23 -2.4(6) . .
N21 Zn2 N23 C23 -1.4(4) . .
N7 Zn2 N23 C27 -60.2(5) 1_666 .
N20 Zn2 N23 C27 53.1(5) 2_786 .
N13 Zn2 N23 C27 -176.6(4) . .
N21 Zn2 N23 C27 -175.6(5) . .
C29 C28 N24 C32 0.3(10) . .
C21 C28 N24 C32 175.1(6) . .
C31 C32 N24 C28 0.1(11) . .
N28 C33 N25 N26 0.7(7) . .
C35 C33 N25 N26 -178.0(5) . .
N28 C33 N25 Zn3 174.6(4) . .
C35 C33 N25 Zn3 -4.0(7) . .
N32 Zn3 N25 C33 -112.6(4) 2_676 .
N17 Zn3 N25 C33 130.7(4) . .
N33 Zn3 N25 C33 4.4(4) . .
N35 Zn3 N25 C33 3.8(7) . .
N32 Zn3 N25 N26 58.5(7) 2_676 .
N17 Zn3 N25 N26 -58.2(7) . .
N33 Zn3 N25 N26 175.5(7) . .
N35 Zn3 N25 N26 174.9(5) . .
C33 N25 N26 N27 -1.0(7) . .
Zn3 N25 N26 N27 -172.6(5) . .
N25 N26 N27 N28 0.9(8) . .
N25 C33 N28 N27 -0.1(7) . .
C35 C33 N28 N27 178.3(6) . .
N26 N27 N28 C33 -0.5(8) . .
N32 C34 N29 N30 0.4(7) . .
C36 C34 N29 N30 177.1(5) . .
C34 N29 N30 N31 -0.9(6) . .
C34 N29 N30 Zn1 -175.6(4) . .
N5 Zn1 N30 N31 -105.0(5) 2_665 .
N9 Zn1 N30 N31 71.4(5) . .
N1 Zn1 N30 N31 151.8(4) . .
N11 Zn1 N30 N31 -3.3(5) . .
N5 Zn1 N30 N29 69.1(5) 2_665 .
N9 Zn1 N30 N29 -114.5(4) . .
N1 Zn1 N30 N29 -34.1(5) . .
N11 Zn1 N30 N29 170.8(4) . .
N29 N30 N31 N32 1.1(6) . .
Zn1 N30 N31 N32 175.9(4) . .
N29 C34 N32 N31 0.3(7) . .
C36 C34 N32 N31 -176.5(5) . .
N29 C34 N32 Zn3 -169.2(4) . 2_676
C36 C34 N32 Zn3 14.1(10) . 2_676
N30 N31 N32 C34 -0.8(6) . .
N30 N31 N32 Zn3 171.5(4) . 2_676
C37 C38 N33 C35 5.3(8) . .
C39 C38 N33 C35 -171.8(5) . .
C37 C38 N33 Zn3 -177.0(4) . .
C39 C38 N33 Zn3 5.9(7) . .
C36 C35 N33 C38 4.1(8) . .
C33 C35 N33 C38 -178.6(5) . .
C36 C35 N33 Zn3 -173.7(4) . .
C33 C35 N33 Zn3 3.6(6) . .
N32 Zn3 N33 C38 -88.1(5) 2_676 .
N17 Zn3 N33 C38 73.4(5) . .
N25 Zn3 N33 C38 177.8(5) . .
N35 Zn3 N33 C38 -2.5(4) . .
N32 Zn3 N33 C35 89.7(4) 2_676 .
N17 Zn3 N33 C35 -108.8(4) . .
N25 Zn3 N33 C35 -4.4(4) . .
N35 Zn3 N33 C35 175.3(4) . .
C35 C36 N34 C37 4.1(8) . .
C34 C36 N34 C37 -175.2(5) . .
C38 C37 N34 C36 5.6(9) . .
C44 C37 N34 C36 -174.8(5) . .
C42 C43 N35 C39 -1.7(9) . .
C42 C43 N35 Zn3 169.5(5) . .
C40 C39 N35 C43 1.1(9) . .
C38 C39 N35 C43 176.7(5) . .
C40 C39 N35 Zn3 -170.7(5) . .
C38 C39 N35 Zn3 4.9(6) . .
N32 Zn3 N35 C43 -54.5(5) 2_676 .
N17 Zn3 N35 C43 56.7(5) . .
N25 Zn3 N35 C43 -172.3(4) . .
N33 Zn3 N35 C43 -172.9(5) . .
N32 Zn3 N35 C39 116.6(4) 2_676 .
N17 Zn3 N35 C39 -132.2(4) . .
N25 Zn3 N35 C39 -1.1(6) . .
N33 Zn3 N35 C39 -1.7(4) . .
C45 C44 N36 C48 4.5(11) . .
C37 C44 N36 C48 177.6(7) . .
C47 C48 N36 C44 -3.1(13) . .
O1 C51 N37 C50 -6(3) . .
O1 C51 N37 C49 171.2(15) . .
O2 C54 N38 C53 172.7(16) . .
O2 C54 N38 C52 -1.3(19) . .
