#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:45:54 +0100 (vie 25 de mar de 2016) $
#$Revision: 179763 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/59/7005954.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_7005954
loop_
_publ_author_name
'Chu, Qian'
'Liu, Guang-Xiang'
'Huang, Yong-Qing'
'Wang, Xiao-Feng'
'Sun, Wei-Yin'
_publ_section_title
;
 Syntheses, structures, and optical properties of novel zinc(ii)
 complexes with multicarboxylate and N-donor ligands.
;
_journal_issue                   38
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4302
_journal_page_last               4311
_journal_paper_doi               10.1039/b707159k
_journal_year                    2007
_chemical_formula_moiety         'C52 H30 N4 O19 Zn4, 2(H2 O)'
_chemical_formula_sum            'C52 H34 N4 O21 Zn4'
_chemical_formula_weight         1312.31
_chemical_name_systematic
;
?
;
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 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                 100.253(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.3048(14)
_cell_length_b                   23.8232(14)
_cell_length_c                   14.5836(10)
_cell_measurement_reflns_used    9419
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.66
_cell_measurement_theta_min      2.36
_cell_volume                     4890.5(7)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_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 Aepex CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0581
_diffrn_reflns_av_sigmaI/netI    0.0566
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            17938
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.68
_exptl_absorpt_coefficient_mu    2.030
_exptl_absorpt_correction_T_max  0.8545
_exptl_absorpt_correction_T_min  0.3755
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Bruker, 2000)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.782
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2648
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.017
_refine_diff_density_min         -0.416
_refine_diff_density_rms         0.083
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.152(11)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.949
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     731
_refine_ls_number_reflns         8847
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      0.949
_refine_ls_R_factor_all          0.0521
_refine_ls_R_factor_gt           0.0505
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0950P)²+0.4000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1223
_refine_ls_wR_factor_ref         0.1230
_reflns_number_gt                8248
_reflns_number_total             8847
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b707159k.txt
_cod_data_source_block           5
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               7005954
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, 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
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.78172(4) 0.42112(3) 0.66948(4) 0.02553(15) Uani 1 1 d . . .
Zn2 Zn 0.67257(4) 0.43507(2) 0.42995(4) 0.02477(14) Uani 1 1 d . . .
Zn3 Zn 1.05610(4) 0.35308(3) 0.83038(4) 0.02742(15) Uani 1 1 d . . .
Zn4 Zn 0.41368(4) 0.39254(3) 0.27673(4) 0.03355(17) Uani 1 1 d . . .
N1 N 0.3544(4) 0.4680(2) 0.2346(4) 0.0427(13) Uani 1 1 d . . .
N2 N 0.2834(4) 0.3657(2) 0.2063(4) 0.0408(12) Uani 1 1 d . . .
N3 N 1.1034(3) 0.4356(2) 0.8594(4) 0.0329(11) Uani 1 1 d . . .
N4 N 1.1953(4) 0.3402(2) 0.8980(3) 0.0343(11) Uani 1 1 d . . .
O1 O 0.4421(3) 0.32596(19) 0.3788(3) 0.0416(10) Uani 1 1 d . . .
O2 O 0.3988(3) 0.40729(19) 0.4208(3) 0.0399(10) Uani 1 1 d . . .
O3 O 0.5954(3) 0.40062(17) 0.5157(3) 0.0338(9) Uani 1 1 d . . .
O4 O 0.6724(3) 0.37276(17) 0.6542(3) 0.0359(9) Uani 1 1 d . . .
O5 O 0.2748(3) 0.26439(16) 0.6681(4) 0.0397(10) Uani 1 1 d . . .
O6 O 0.2916(3) 0.00043(17) 0.6688(4) 0.0428(10) Uani 1 1 d . . .
O7 O 0.0838(3) 0.08721(18) 0.8155(3) 0.0320(9) Uani 1 1 d . . .
O8 O 0.0057(3) 0.12900(19) 0.6931(3) 0.0364(9) Uani 1 1 d . . .
O9 O 0.1406(3) 0.01074(19) 0.6782(4) 0.0489(12) Uani 1 1 d . . .
O10 O 0.8748(3) 0.39488(18) 0.7765(3) 0.0325(9) Uani 1 1 d . . .
O11 O 0.9498(3) 0.35767(17) 0.9051(3) 0.0349(9) Uani 1 1 d . . .
O12 O 0.8139(3) 0.47528(19) 0.9114(4) 0.0514(12) Uani 1 1 d . . .
O13 O 0.6659(3) 0.48572(16) 0.9349(3) 0.0421(10) Uani 1 1 d . . .
O14 O 0.6677(3) 0.22293(16) 0.8893(3) 0.0333(9) Uani 1 1 d . . .
O15 O 0.5533(3) 0.14560(16) 1.1944(3) 0.0304(8) Uani 1 1 d . . .
O16 O 0.4402(3) 0.2101(2) 1.1558(3) 0.0456(11) Uani 1 1 d . . .
O17 O 0.3582(3) 0.09891(18) 1.0737(3) 0.0363(9) Uani 1 1 d . . .
O18 O 0.2789(3) 0.11455(17) 0.9304(3) 0.0353(9) Uani 1 1 d . . .
O1W O 1.0330(3) 0.26390(18) 0.8207(3) 0.0435(10) Uani 1 1 d . . .
H1WA H 0.9766 0.2563 0.7761 0.065 Uiso 1 1 d R . .
H1WB H 1.0254 0.2497 0.8806 0.065 Uiso 1 1 d R . .
O2W O 0.9638(4) 1.0063(3) 0.5445(5) 0.087(2) Uani 1 1 d . . .
H2WA H 1.0164 1.0082 0.5822 0.104 Uiso 1 1 d R . .
H2WB H 0.9476 0.9720 0.5381 0.104 Uiso 1 1 d R . .
O3W O 0.9763(5) 0.4923(4) 0.0541(6) 0.088(2) Uani 1 1 d D . .
H3WA H 0.929(6) 0.486(5) 0.013(6) 0.105 Uiso 1 1 d D . .
H3WB H 0.955(8) 0.510(5) 0.095(6) 0.105 Uiso 1 1 d D . .
C1 C 0.6010(4) 0.3749(2) 0.5907(4) 0.0256(11) Uani 1 1 d . . .
C2 C 0.5148(4) 0.3435(2) 0.6076(4) 0.0251(11) Uani 1 1 d . . .
C3 C 0.5148(4) 0.3205(2) 0.6949(4) 0.0339(13) Uani 1 1 d . . .
H3 H 0.5691 0.3235 0.7405 0.041 Uiso 1 1 calc R . .
C4 C 0.4354(4) 0.2932(3) 0.7156(4) 0.0357(13) Uani 1 1 d . . .
H4 H 0.4350 0.2791 0.7749 0.043 Uiso 1 1 calc R . .
C5 C 0.3582(4) 0.2876(2) 0.6470(4) 0.0295(11) Uani 1 1 d . . .
C6 C 0.3555(4) 0.3092(2) 0.5595(4) 0.0304(12) Uani 1 1 d . . .
H6 H 0.3012 0.3052 0.5143 0.037 Uiso 1 1 calc R . .
C7 C 0.4348(4) 0.3372(2) 0.5386(4) 0.0250(11) Uani 1 1 d . . .
C8 C 0.4267(4) 0.3591(2) 0.4412(4) 0.0283(11) Uani 1 1 d . . .
C9 C 0.0836(4) 0.1126(2) 0.7402(4) 0.0263(11) Uani 1 1 d . . .
C10 C 0.1720(4) 0.1294(2) 0.7051(4) 0.0255(11) Uani 1 1 d . . .
C11 C 0.1874(4) 0.1868(2) 0.7023(4) 0.0273(11) Uani 1 1 d . . .
H11 H 0.1452 0.2117 0.7223 0.033 Uiso 1 1 calc R . .
C12 C 0.2668(4) 0.2067(2) 0.6689(4) 0.0266(11) Uani 1 1 d . . .
C13 C 0.3287(4) 0.1707(2) 0.6387(4) 0.0308(12) Uani 1 1 d . . .
H13 H 0.3806 0.1844 0.6151 0.037 Uiso 1 1 calc R . .
C14 C 0.3134(4) 0.1132(2) 0.6434(4) 0.0309(12) Uani 1 1 d . . .
H14 H 0.3563 0.0885 0.6241 0.037 Uiso 1 1 calc R . .
C15 C 0.2184(4) 0.0298(2) 0.6743(4) 0.0313(12) Uani 1 1 d . . .
C16 C 0.2348(4) 0.0920(2) 0.6764(4) 0.0279(11) Uani 1 1 d . . .
C17 C 0.8740(4) 0.3733(2) 0.8542(4) 0.0261(11) Uani 1 1 d . . .
C18 C 0.7827(4) 0.3576(2) 0.8848(3) 0.0222(10) Uani 1 1 d . . .
C19 C 0.7648(4) 0.3003(2) 0.8803(4) 0.0256(11) Uani 1 1 d . . .
H19 H 0.8087 0.2757 0.8623 0.031 Uiso 1 1 calc R . .
C20 C 0.6807(4) 0.2801(2) 0.9029(4) 0.0257(11) Uani 1 1 d . . .
C21 C 0.6159(4) 0.3159(2) 0.9314(4) 0.0289(11) Uani 1 1 d . . .
H21 H 0.5599 0.3022 0.9471 0.035 Uiso 1 1 calc R . .
C22 C 0.6353(4) 0.3724(2) 0.9363(4) 0.0299(12) Uani 1 1 d . . .
H22 H 0.5923 0.3966 0.9567 0.036 Uiso 1 1 calc R . .
C23 C 0.7175(4) 0.3946(2) 0.9116(4) 0.0278(11) Uani 1 1 d . . .
C24 C 0.7359(4) 0.4563(2) 0.9193(4) 0.0294(12) Uani 1 1 d . . .
C25 C 0.3500(4) 0.1179(2) 0.9942(4) 0.0261(11) Uani 1 1 d . . .
C26 C 0.4348(4) 0.1469(2) 0.9677(4) 0.0243(10) Uani 1 1 d . . .
C27 C 0.4426(4) 0.1506(2) 0.8751(4) 0.0296(12) Uani 1 1 d . . .
H27 H 0.3953 0.1354 0.8300 0.036 Uiso 1 1 calc R . .
C28 C 0.5194(4) 0.1767(2) 0.8483(4) 0.0306(12) Uani 1 1 d . . .
H28 H 0.5241 0.1797 0.7857 0.037 Uiso 1 1 calc R . .
C29 C 0.5892(4) 0.1982(2) 0.9167(4) 0.0268(11) Uani 1 1 d . . .
C30 C 0.5837(4) 0.1945(2) 1.0099(4) 0.0304(12) Uani 1 1 d . . .
H30 H 0.6321 0.2091 1.0547 0.036 Uiso 1 1 calc R . .
C31 C 0.5060(4) 0.1691(2) 1.0365(4) 0.0262(11) Uani 1 1 d . . .
C32 C 0.4966(4) 0.1746(2) 1.1369(4) 0.0284(11) Uani 1 1 d . . .
C33 C 0.2557(6) 0.3131(4) 0.1895(5) 0.058(2) Uani 1 1 d . . .
H33 H 0.2973 0.2844 0.2124 0.070 Uiso 1 1 calc R . .
C34 C 0.1675(6) 0.2991(5) 0.1391(6) 0.072(3) Uani 1 1 d . . .
H34 H 0.1499 0.2618 0.1284 0.087 Uiso 1 1 calc R . .
C35 C 0.1085(6) 0.3405(6) 0.1064(6) 0.078(3) Uani 1 1 d . . .
H35 H 0.0489 0.3321 0.0723 0.094 Uiso 1 1 calc R . .
C36 C 0.1344(6) 0.3949(5) 0.1221(5) 0.066(3) Uani 1 1 d . . .
H36 H 0.0924 0.4235 0.0995 0.079 Uiso 1 1 calc R . .
C37 C 0.2250(4) 0.4079(3) 0.1725(4) 0.0450(17) Uani 1 1 d . . .
C38 C 0.2628(5) 0.4649(3) 0.1897(5) 0.0462(18) Uani 1 1 d . . .
C39 C 0.2107(7) 0.5126(4) 0.1640(6) 0.069(3) Uani 1 1 d . . .
H39 H 0.1481 0.5100 0.1330 0.083 Uiso 1 1 calc R . .
C40 C 0.2516(8) 0.5637(4) 0.1841(7) 0.083(3) Uani 1 1 d . . .
H40 H 0.2169 0.5964 0.1682 0.100 Uiso 1 1 calc R . .
C41 C 0.3447(9) 0.5667(4) 0.2282(8) 0.085(3) Uani 1 1 d . . .
H41 H 0.3739 0.6014 0.2411 0.102 Uiso 1 1 calc R . .
C42 C 0.3944(6) 0.5176(3) 0.2530(6) 0.059(2) Uani 1 1 d . . .
H42 H 0.4572 0.5196 0.2833 0.071 Uiso 1 1 calc R . .
C43 C 1.0529(5) 0.4815(3) 0.8342(6) 0.0465(16) Uani 1 1 d . . .
H43 H 0.9909 0.4779 0.8020 0.056 Uiso 1 1 calc R . .
C44 C 1.0896(6) 0.5342(3) 0.8546(7) 0.061(2) Uani 1 1 d . . .
H44 H 1.0529 0.5659 0.8369 0.073 Uiso 1 1 calc R . .
C45 C 1.1811(6) 0.5394(3) 0.9014(6) 0.063(2) Uani 1 1 d . . .
H45 H 1.2071 0.5748 0.9152 0.075 Uiso 1 1 calc R . .
C46 C 1.2344(5) 0.4925(3) 0.9280(5) 0.0508(18) Uani 1 1 d . . .
H46 H 1.2963 0.4954 0.9606 0.061 Uiso 1 1 calc R . .
C47 C 1.1929(4) 0.4399(3) 0.9049(4) 0.0327(13) Uani 1 1 d . . .
C48 C 1.2433(4) 0.3865(3) 0.9284(4) 0.0342(13) Uani 1 1 d . . .
C49 C 1.3350(5) 0.3834(3) 0.9806(5) 0.0470(17) Uani 1 1 d . . .
H49 H 1.3680 0.4160 1.0010 0.056 Uiso 1 1 calc R . .
C50 C 1.3754(5) 0.3325(3) 1.0012(5) 0.049 Uani 1 1 d . . .
H50 H 1.4353 0.3298 1.0381 0.059 Uiso 1 1 calc R . .
C51 C 1.3274(6) 0.2853(4) 0.9676(5) 0.059(2) Uani 1 1 d . . .
H51 H 1.3552 0.2502 0.9792 0.071 Uiso 1 1 calc R . .
C52 C 1.2370(5) 0.2903(3) 0.9160(5) 0.0486(17) Uani 1 1 d . . .
H52 H 1.2043 0.2580 0.8933 0.058 Uiso 1 1 calc R . .
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
_geom_angle_publ_flag
O6 Zn1 O4 131.0(2) 3 . ?
O6 Zn1 O10 106.3(2) 3 . ?
O4 Zn1 O10 108.86(16) . . ?
O6 Zn1 O17 100.71(19) 3 4_554 ?
O4 Zn1 O17 108.28(19) . 4_554 ?
O10 Zn1 O17 95.90(17) . 4_554 ?
O13 Zn2 O18 131.11(19) 2_564 4_554 ?
O13 Zn2 O7 105.7(2) 2_564 4_554 ?
O18 Zn2 O7 103.05(17) 4_554 4_554 ?
O13 Zn2 O3 110.53(18) 2_564 . ?
O18 Zn2 O3 105.73(18) 4_554 . ?
O7 Zn2 O3 94.32(17) 4_554 . ?
O15 Zn3 O11 130.98(16) 4_554 . ?
O15 Zn3 N4 108.94(18) 4_554 . ?
O11 Zn3 N4 119.98(18) . . ?
O15 Zn3 N3 97.78(18) 4_554 . ?
O11 Zn3 N3 95.00(18) . . ?
N4 Zn3 N3 78.2(2) . . ?
O15 Zn3 O1W 88.55(16) 4_554 . ?
O11 Zn3 O1W 88.12(18) . . ?
N4 Zn3 O1W 90.49(19) . . ?
N3 Zn3 O1W 168.32(19) . . ?
O8 Zn4 N1 108.91(19) 4_554 . ?
O8 Zn4 N2 104.44(19) 4_554 . ?
N1 Zn4 N2 80.4(2) . . ?
O8 Zn4 O1 99.61(17) 4_554 . ?
N1 Zn4 O1 150.73(18) . . ?
N2 Zn4 O1 99.1(2) . . ?
O8 Zn4 O2 144.31(16) 4_554 . ?
N1 Zn4 O2 92.38(19) . . ?
N2 Zn4 O2 107.20(19) . . ?
O1 Zn4 O2 59.55(16) . . ?
O8 Zn4 O7 57.28(14) 4_554 4_554 ?
N1 Zn4 O7 103.8(2) . 4_554 ?
N2 Zn4 O7 161.71(18) . 4_554 ?
O1 Zn4 O7 85.89(16) . 4_554 ?
O2 Zn4 O7 90.54(15) . 4_554 ?
O8 Zn4 C9 28.61(16) 4_554 4_554 ?
N1 Zn4 C9 109.64(19) . 4_554 ?
N2 Zn4 C9 133.04(19) . 4_554 ?
O1 Zn4 C9 92.22(17) . 4_554 ?
O2 Zn4 C9 117.65(17) . 4_554 ?
O7 Zn4 C9 28.70(15) 4_554 4_554 ?
C42 N1 C38 119.5(6) . . ?
C42 N1 Zn4 126.0(5) . . ?
C38 N1 Zn4 114.2(5) . . ?
C33 N2 C37 119.7(7) . . ?
C33 N2 Zn4 126.9(5) . . ?
C37 N2 Zn4 113.4(5) . . ?
C43 N3 C47 120.1(5) . . ?
C43 N3 Zn3 125.2(4) . . ?
C47 N3 Zn3 114.7(4) . . ?
C48 N4 C52 119.1(6) . . ?
C48 N4 Zn3 115.4(4) . . ?
C52 N4 Zn3 125.5(5) . . ?
C8 O1 Zn4 90.1(4) . . ?
C8 O2 Zn4 90.0(4) . . ?
C1 O3 Zn2 143.3(4) . . ?
C1 O4 Zn1 126.9(4) . . ?
C12 O5 C5 118.1(4) . . ?
C15 O6 Zn1 119.0(4) . 3_445 ?
C9 O7 Zn2 140.3(4) . 4_455 ?
C9 O7 Zn4 81.7(3) . 4_455 ?
Zn2 O7 Zn4 135.16(19) 4_455 4_455 ?
C9 O8 Zn4 101.6(3) . 4_455 ?
C17 O10 Zn1 137.7(4) . . ?
C17 O11 Zn3 110.5(3) . . ?
C24 O13 Zn2 119.7(4) . 2_565 ?
C20 O14 C29 118.0(4) . . ?
C32 O15 Zn3 123.6(4) . 4_455 ?
C25 O17 Zn1 141.4(4) . 4_455 ?
C25 O18 Zn2 125.3(4) . 4_455 ?
Zn3 O1W H1WA 109.4 . . ?
Zn3 O1W H1WB 109.2 . . ?
H1WA O1W H1WB 109.5 . . ?
H2WA O2W H2WB 108.4 . . ?
H3WA O3W H3WB 105(10) . . ?
O3 C1 O4 125.9(5) . . ?
O3 C1 C2 117.6(5) . . ?
O4 C1 C2 116.5(5) . . ?
C3 C2 C7 119.2(5) . . ?
C3 C2 C1 118.8(5) . . ?
C7 C2 C1 122.0(5) . . ?
C2 C3 C4 121.1(5) . . ?
C2 C3 H3 119.4 . . ?
C4 C3 H3 119.4 . . ?
C5 C4 C3 118.5(5) . . ?
C5 C4 H4 120.8 . . ?
C3 C4 H4 120.8 . . ?
C4 C5 C6 122.2(5) . . ?
C4 C5 O5 119.4(5) . . ?
C6 C5 O5 118.1(5) . . ?
C5 C6 C7 119.6(5) . . ?
C5 C6 H6 120.2 . . ?
C7 C6 H6 120.2 . . ?
C2 C7 C6 119.3(5) . . ?
C2 C7 C8 124.3(5) . . ?
C6 C7 C8 116.4(5) . . ?
O2 C8 O1 120.1(5) . . ?
O2 C8 C7 121.3(5) . . ?
O1 C8 C7 118.4(5) . . ?
O7 C9 O8 119.4(5) . . ?
O7 C9 C10 123.8(5) . . ?
O8 C9 C10 116.6(5) . . ?
O7 C9 Zn4 69.6(3) . 4_455 ?
O8 C9 Zn4 49.8(3) . 4_455 ?
C10 C9 Zn4 164.7(4) . 4_455 ?
C16 C10 C11 120.8(5) . . ?
C16 C10 C9 124.3(5) . . ?
C11 C10 C9 114.9(5) . . ?
C10 C11 C12 119.3(5) . . ?
C10 C11 H11 120.4 . . ?
C12 C11 H11 120.4 . . ?
C13 C12 O5 124.5(5) . . ?
C13 C12 C11 121.0(5) . . ?
O5 C12 C11 114.5(5) . . ?
C12 C13 C14 119.2(5) . . ?
C12 C13 H13 120.4 . . ?
C14 C13 H13 120.4 . . ?
C13 C14 C16 121.2(5) . . ?
C13 C14 H14 119.4 . . ?
C16 C14 H14 119.4 . . ?
O9 C15 O6 124.7(5) . . ?
O9 C15 C16 120.7(5) . . ?
O6 C15 C16 114.6(5) . . ?
C10 C16 C14 118.5(5) . . ?
C10 C16 C15 122.4(5) . . ?
C14 C16 C15 119.0(5) . . ?
O10 C17 O11 120.9(5) . . ?
O10 C17 C18 121.5(5) . . ?
O11 C17 C18 117.1(5) . . ?
C19 C18 C23 120.7(5) . . ?
C19 C18 C17 113.3(5) . . ?
C23 C18 C17 126.0(5) . . ?
C18 C19 C20 119.3(5) . . ?
C18 C19 H19 120.3 . . ?
C20 C19 H19 120.3 . . ?
C21 C20 O14 125.0(5) . . ?
C21 C20 C19 120.9(5) . . ?
O14 C20 C19 114.0(5) . . ?
C22 C21 C20 118.8(5) . . ?
C22 C21 H21 120.6 . . ?
C20 C21 H21 120.6 . . ?
C21 C22 C23 122.0(5) . . ?
C21 C22 H22 119.0 . . ?
C23 C22 H22 119.0 . . ?
C18 C23 C22 118.1(5) . . ?
C18 C23 C24 121.9(5) . . ?
C22 C23 C24 119.9(5) . . ?
O12 C24 O13 124.6(5) . . ?
O12 C24 C23 120.4(5) . . ?
O13 C24 C23 114.9(5) . . ?
O17 C25 O18 127.2(5) . . ?
O17 C25 C26 117.7(5) . . ?
O18 C25 C26 115.1(5) . . ?
C27 C26 C31 120.1(5) . . ?
C27 C26 C25 119.4(5) . . ?
C31 C26 C25 120.5(5) . . ?
C28 C27 C26 121.0(5) . . ?
C28 C27 H27 119.5 . . ?
C26 C27 H27 119.5 . . ?
C29 C28 C27 118.3(5) . . ?
C29 C28 H28 120.9 . . ?
C27 C28 H28 120.9 . . ?
C28 C29 C30 122.0(5) . . ?
C28 C29 O14 117.9(5) . . ?
C30 C29 O14 120.1(5) . . ?
C29 C30 C31 119.7(5) . . ?
C29 C30 H30 120.2 . . ?
C31 C30 H30 120.2 . . ?
C30 C31 C26 119.0(5) . . ?
C30 C31 C32 116.9(5) . . ?
C26 C31 C32 123.5(5) . . ?
O16 C32 O15 126.5(5) . . ?
O16 C32 C31 117.0(5) . . ?
O15 C32 C31 116.1(5) . . ?
N2 C33 C34 122.8(9) . . ?
N2 C33 H33 118.6 . . ?
C34 C33 H33 118.6 . . ?
C35 C34 C33 118.1(10) . . ?
C35 C34 H34 120.9 . . ?
C33 C34 H34 120.9 . . ?
C34 C35 C36 120.8(8) . . ?
C34 C35 H35 119.6 . . ?
C36 C35 H35 119.6 . . ?
C35 C36 C37 119.8(8) . . ?
C35 C36 H36 120.1 . . ?
C37 C36 H36 120.1 . . ?
N2 C37 C36 118.7(8) . . ?
N2 C37 C38 116.4(6) . . ?
C36 C37 C38 124.9(7) . . ?
N1 C38 C39 121.0(8) . . ?
N1 C38 C37 115.4(5) . . ?
C39 C38 C37 123.6(7) . . ?
C40 C39 C38 119.3(9) . . ?
C40 C39 H39 120.4 . . ?
C38 C39 H39 120.4 . . ?
C39 C40 C41 119.5(9) . . ?
C39 C40 H40 120.3 . . ?
C41 C40 H40 120.3 . . ?
C40 C41 C42 119.3(10) . . ?
C40 C41 H41 120.4 . . ?
C42 C41 H41 120.4 . . ?
N1 C42 C41 121.4(9) . . ?
N1 C42 H42 119.3 . . ?
C41 C42 H42 119.3 . . ?
N3 C43 C44 121.7(7) . . ?
N3 C43 H43 119.1 . . ?
C44 C43 H43 119.1 . . ?
C45 C44 C43 119.0(7) . . ?
C45 C44 H44 120.5 . . ?
C43 C44 H44 120.5 . . ?
C46 C45 C44 120.1(7) . . ?
C46 C45 H45 119.9 . . ?
C44 C45 H45 119.9 . . ?
C45 C46 C47 118.1(7) . . ?
C45 C46 H46 120.9 . . ?
C47 C46 H46 120.9 . . ?
N3 C47 C46 121.0(6) . . ?
N3 C47 C48 115.8(5) . . ?
C46 C47 C48 123.2(6) . . ?
N4 C48 C49 121.1(6) . . ?
N4 C48 C47 115.8(5) . . ?
C49 C48 C47 123.1(6) . . ?
C50 C49 C48 119.4(7) . . ?
C50 C49 H49 120.3 . . ?
C48 C49 H49 120.3 . . ?
C49 C50 C51 119.5(6) . . ?
C49 C50 H50 120.3 . . ?
C51 C50 H50 120.3 . . ?
C50 C51 C52 119.2(7) . . ?
C50 C51 H51 120.4 . . ?
C52 C51 H51 120.4 . . ?
N4 C52 C51 121.7(7) . . ?
N4 C52 H52 119.1 . . ?
C51 C52 H52 119.1 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Zn1 O6 1.895(4) 3 ?
Zn1 O4 1.923(4) . ?
Zn1 O10 1.964(4) . ?
Zn1 O17 1.980(4) 4_554 ?
Zn2 O13 1.891(4) 2_564 ?
Zn2 O18 1.926(4) 4_554 ?
Zn2 O7 1.982(4) 4_554 ?
Zn2 O3 1.986(4) . ?
Zn3 O15 1.977(4) 4_554 ?
Zn3 O11 2.026(4) . ?
Zn3 N4 2.082(5) . ?
Zn3 N3 2.097(5) . ?
Zn3 O1W 2.151(4) . ?
Zn4 O8 2.014(4) 4_554 ?
Zn4 N1 2.036(5) . ?
Zn4 N2 2.063(6) . ?
Zn4 O1 2.164(4) . ?
Zn4 O2 2.178(4) . ?
Zn4 O7 2.447(4) 4_554 ?
Zn4 C9 2.582(5) 4_554 ?
N1 C42 1.319(10) . ?
N1 C38 1.359(9) . ?
N2 C33 1.323(10) . ?
N2 C37 1.344(9) . ?
N3 C43 1.326(9) . ?
N3 C47 1.338(8) . ?
N4 C48 1.332(8) . ?
N4 C52 1.335(9) . ?
O1 C8 1.253(7) . ?
O2 C8 1.235(7) . ?
O3 C1 1.244(7) . ?
O4 C1 1.252(7) . ?
O5 C12 1.379(7) . ?
O5 C5 1.398(7) . ?
O6 C15 1.273(7) . ?
O6 Zn1 1.895(4) 3_445 ?
O7 C9 1.253(7) . ?
O7 Zn2 1.982(4) 4_455 ?
O7 Zn4 2.447(4) 4_455 ?
O8 C9 1.262(7) . ?
O8 Zn4 2.014(4) 4_455 ?
O9 C15 1.213(8) . ?
O10 C17 1.246(7) . ?
O11 C17 1.256(7) . ?
O12 C24 1.228(7) . ?
O13 C24 1.276(7) . ?
O13 Zn2 1.891(4) 2_565 ?
O14 C20 1.383(7) . ?
O14 C29 1.389(6) . ?
O15 C32 1.264(7) . ?
O15 Zn3 1.977(4) 4_455 ?
O16 C32 1.232(7) . ?
O17 C25 1.230(7) . ?
O17 Zn1 1.980(4) 4_455 ?
O18 C25 1.252(7) . ?
O18 Zn2 1.926(4) 4_455 ?
O1W H1WA 0.9599 . ?
O1W H1WB 0.9601 . ?
O2W H2WA 0.8500 . ?
O2W H2WB 0.8500 . ?
O3W H3WA 0.84(5) . ?
O3W H3WB 0.83(5) . ?
C1 C2 1.500(7) . ?
C2 C3 1.387(8) . ?
C2 C7 1.391(8) . ?
C3 C4 1.389(8) . ?
C3 H3 0.9300 . ?
C4 C5 1.358(8) . ?
C4 H4 0.9300 . ?
C5 C6 1.370(8) . ?
C6 C7 1.395(8) . ?
C6 H6 0.9300 . ?
C7 C8 1.497(8) . ?
C9 C10 1.501(7) . ?
C9 Zn4 2.582(5) 4_455 ?
C10 C16 1.382(8) . ?
C10 C11 1.385(8) . ?
C11 C12 1.397(8) . ?
C11 H11 0.9300 . ?
C12 C13 1.361(8) . ?
C13 C14 1.390(8) . ?
C13 H13 0.9300 . ?
C14 C16 1.395(8) . ?
C14 H14 0.9300 . ?
C15 C16 1.499(8) . ?
C17 C18 1.501(7) . ?
C18 C19 1.387(8) . ?
C18 C23 1.390(8) . ?
C19 C20 1.390(8) . ?
C19 H19 0.9300 . ?
C20 C21 1.379(8) . ?
C21 C22 1.374(8) . ?
C21 H21 0.9300 . ?
C22 C23 1.393(8) . ?
C22 H22 0.9300 . ?
C23 C24 1.493(8) . ?
C25 C26 1.505(7) . ?
C26 C27 1.378(7) . ?
C26 C31 1.400(8) . ?
C27 C28 1.378(8) . ?
C27 H27 0.9300 . ?
C28 C29 1.378(8) . ?
C28 H28 0.9300 . ?
C29 C30 1.379(8) . ?
C30 C31 1.380(8) . ?
C30 H30 0.9300 . ?
C31 C32 1.501(7) . ?
C33 C34 1.383(12) . ?
C33 H33 0.9300 . ?
C34 C35 1.330(15) . ?
C34 H34 0.9300 . ?
C35 C36 1.356(14) . ?
C35 H35 0.9300 . ?
C36 C37 1.407(11) . ?
C36 H36 0.9300 . ?
C37 C38 1.465(11) . ?
C38 C39 1.376(10) . ?
C39 C40 1.360(15) . ?
C39 H39 0.9300 . ?
C40 C41 1.372(16) . ?
C40 H40 0.9300 . ?
C41 C42 1.383(12) . ?
C41 H41 0.9300 . ?
C42 H42 0.9300 . ?
C43 C44 1.374(10) . ?
C43 H43 0.9300 . ?
C44 C45 1.369(12) . ?
C44 H44 0.9300 . ?
C45 C46 1.369(12) . ?
C45 H45 0.9300 . ?
C46 C47 1.402(9) . ?
C46 H46 0.9300 . ?
C47 C48 1.472(9) . ?
C48 C49 1.397(9) . ?
C49 C50 1.353(11) . ?
C49 H49 0.9300 . ?
C50 C51 1.363(12) . ?
C50 H50 0.9300 . ?
C51 C52 1.380(10) . ?
C51 H51 0.9300 . ?
C52 H52 0.9300 . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O8 Zn4 N1 C42 -79.1(6) 4_554 . . . ?
N2 Zn4 N1 C42 178.9(6) . . . . ?
O1 Zn4 N1 C42 87.4(7) . . . . ?
O2 Zn4 N1 C42 71.8(6) . . . . ?
O7 Zn4 N1 C42 -19.3(6) 4_554 . . . ?
C9 Zn4 N1 C42 -48.7(6) 4_554 . . . ?
O8 Zn4 N1 C38 106.1(4) 4_554 . . . ?
N2 Zn4 N1 C38 4.0(4) . . . . ?
O1 Zn4 N1 C38 -87.4(6) . . . . ?
O2 Zn4 N1 C38 -103.0(4) . . . . ?
O7 Zn4 N1 C38 165.8(4) 4_554 . . . ?
C9 Zn4 N1 C38 136.5(4) 4_554 . . . ?
O8 Zn4 N2 C33 67.5(6) 4_554 . . . ?
N1 Zn4 N2 C33 174.7(6) . . . . ?
O1 Zn4 N2 C33 -35.0(6) . . . . ?
O2 Zn4 N2 C33 -95.8(6) . . . . ?
O7 Zn4 N2 C33 69.6(9) 4_554 . . . ?
C9 Zn4 N2 C33 66.7(6) 4_554 . . . ?
O8 Zn4 N2 C37 -109.7(4) 4_554 . . . ?
N1 Zn4 N2 C37 -2.5(4) . . . . ?
O1 Zn4 N2 C37 147.8(4) . . . . ?
O2 Zn4 N2 C37 87.0(4) . . . . ?
O7 Zn4 N2 C37 -107.6(7) 4_554 . . . ?
C9 Zn4 N2 C37 -110.5(4) 4_554 . . . ?
O15 Zn3 N3 C43 69.7(6) 4_554 . . . ?
O11 Zn3 N3 C43 -62.9(6) . . . . ?
N4 Zn3 N3 C43 177.5(6) . . . . ?
O1W Zn3 N3 C43 -168.0(8) . . . . ?
O15 Zn3 N3 C47 -108.6(4) 4_554 . . . ?
O11 Zn3 N3 C47 118.8(4) . . . . ?
N4 Zn3 N3 C47 -0.8(4) . . . . ?
O1W Zn3 N3 C47 13.7(12) . . . . ?
O15 Zn3 N4 C48 96.6(4) 4_554 . . . ?
O11 Zn3 N4 C48 -86.6(5) . . . . ?
N3 Zn3 N4 C48 2.4(4) . . . . ?
O1W Zn3 N4 C48 -174.7(4) . . . . ?
O15 Zn3 N4 C52 -86.4(6) 4_554 . . . ?
O11 Zn3 N4 C52 90.3(6) . . . . ?
N3 Zn3 N4 C52 179.3(6) . . . . ?
O1W Zn3 N4 C52 2.2(6) . . . . ?
O8 Zn4 O1 C8 146.1(3) 4_554 . . . ?
N1 Zn4 O1 C8 -20.9(6) . . . . ?
N2 Zn4 O1 C8 -107.4(3) . . . . ?
O2 Zn4 O1 C8 -2.7(3) . . . . ?
O7 Zn4 O1 C8 90.3(3) 4_554 . . . ?
C9 Zn4 O1 C8 118.3(3) 4_554 . . . ?
O8 Zn4 O2 C8 -58.1(5) 4_554 . . . ?
N1 Zn4 O2 C8 174.0(4) . . . . ?
N2 Zn4 O2 C8 93.3(4) . . . . ?
O1 Zn4 O2 C8 2.8(3) . . . . ?
O7 Zn4 O2 C8 -82.1(3) 4_554 . . . ?
C9 Zn4 O2 C8 -72.3(4) 4_554 . . . ?
O13 Zn2 O3 C1 -107.9(7) 2_564 . . . ?
O18 Zn2 O3 C1 38.7(7) 4_554 . . . ?
O7 Zn2 O3 C1 143.6(7) 4_554 . . . ?
O6 Zn1 O4 C1 50.0(6) 3 . . . ?
O10 Zn1 O4 C1 -176.3(5) . . . . ?
O17 Zn1 O4 C1 -73.2(5) 4_554 . . . ?
O6 Zn1 O10 C17 109.9(6) 3 . . . ?
O4 Zn1 O10 C17 -35.5(6) . . . . ?
O17 Zn1 O10 C17 -147.1(6) 4_554 . . . ?
O15 Zn3 O11 C17 -13.4(5) 4_554 . . . ?
N4 Zn3 O11 C17 170.7(4) . . . . ?
N3 Zn3 O11 C17 91.4(4) . . . . ?
O1W Zn3 O11 C17 -99.8(4) . . . . ?
Zn2 O3 C1 O4 18.4(10) . . . . ?
Zn2 O3 C1 C2 -161.5(4) . . . . ?
Zn1 O4 C1 O3 16.1(9) . . . . ?
Zn1 O4 C1 C2 -163.9(4) . . . . ?
O3 C1 C2 C3 -171.9(5) . . . . ?
O4 C1 C2 C3 8.1(8) . . . . ?
O3 C1 C2 C7 7.6(8) . . . . ?
O4 C1 C2 C7 -172.4(5) . . . . ?
C7 C2 C3 C4 -2.4(8) . . . . ?
C1 C2 C3 C4 177.1(5) . . . . ?
C2 C3 C4 C5 2.4(9) . . . . ?
C3 C4 C5 C6 -1.7(9) . . . . ?
C3 C4 C5 O5 -174.8(5) . . . . ?
C12 O5 C5 C4 -83.9(7) . . . . ?
C12 O5 C5 C6 102.7(6) . . . . ?
C4 C5 C6 C7 1.1(9) . . . . ?
O5 C5 C6 C7 174.2(5) . . . . ?
C3 C2 C7 C6 1.7(8) . . . . ?
C1 C2 C7 C6 -177.8(5) . . . . ?
C3 C2 C7 C8 -178.8(5) . . . . ?
C1 C2 C7 C8 1.7(8) . . . . ?
C5 C6 C7 C2 -1.0(8) . . . . ?
C5 C6 C7 C8 179.4(5) . . . . ?
Zn4 O2 C8 O1 -4.8(5) . . . . ?
Zn4 O2 C8 C7 -179.5(4) . . . . ?
Zn4 O1 C8 O2 4.8(5) . . . . ?
Zn4 O1 C8 C7 179.7(4) . . . . ?
C2 C7 C8 O2 -87.5(7) . . . . ?
C6 C7 C8 O2 92.0(7) . . . . ?
C2 C7 C8 O1 97.6(6) . . . . ?
C6 C7 C8 O1 -82.8(6) . . . . ?
Zn2 O7 C9 O8 -163.9(4) 4_455 . . . ?
Zn4 O7 C9 O8 -3.0(5) 4_455 . . . ?
Zn2 O7 C9 C10 10.8(9) 4_455 . . . ?
Zn4 O7 C9 C10 171.7(5) 4_455 . . . ?
Zn2 O7 C9 Zn4 -160.9(6) 4_455 . . 4_455 ?
Zn4 O8 C9 O7 3.7(6) 4_455 . . . ?
Zn4 O8 C9 C10 -171.4(4) 4_455 . . . ?
O7 C9 C10 C16 67.7(8) . . . . ?
O8 C9 C10 C16 -117.5(6) . . . . ?
Zn4 C9 C10 C16 -143.2(12) 4_455 . . . ?
O7 C9 C10 C11 -112.8(6) . . . . ?
O8 C9 C10 C11 62.0(7) . . . . ?
Zn4 C9 C10 C11 36.3(16) 4_455 . . . ?
C16 C10 C11 C12 0.7(8) . . . . ?
C9 C10 C11 C12 -178.7(5) . . . . ?
C5 O5 C12 C13 -9.1(8) . . . . ?
C5 O5 C12 C11 172.1(5) . . . . ?
C10 C11 C12 C13 0.5(8) . . . . ?
C10 C11 C12 O5 179.3(5) . . . . ?
O5 C12 C13 C14 179.7(5) . . . . ?
C11 C12 C13 C14 -1.6(8) . . . . ?
C12 C13 C14 C16 1.5(9) . . . . ?
Zn1 O6 C15 O9 -1.5(9) 3_445 . . . ?
Zn1 O6 C15 C16 178.0(4) 3_445 . . . ?
C11 C10 C16 C14 -0.8(8) . . . . ?
C9 C10 C16 C14 178.6(5) . . . . ?
C11 C10 C16 C15 -177.1(5) . . . . ?
C9 C10 C16 C15 2.3(8) . . . . ?
C13 C14 C16 C10 -0.3(8) . . . . ?
C13 C14 C16 C15 176.1(5) . . . . ?
O9 C15 C16 C10 16.1(9) . . . . ?
O6 C15 C16 C10 -163.5(5) . . . . ?
O9 C15 C16 C14 -160.2(6) . . . . ?
O6 C15 C16 C14 20.3(8) . . . . ?
Zn1 O10 C17 O11 175.0(4) . . . . ?
Zn1 O10 C17 C18 3.9(9) . . . . ?
Zn3 O11 C17 O10 -15.2(6) . . . . ?
Zn3 O11 C17 C18 156.2(4) . . . . ?
O10 C17 C18 C19 103.8(6) . . . . ?
O11 C17 C18 C19 -67.6(6) . . . . ?
O10 C17 C18 C23 -73.4(7) . . . . ?
O11 C17 C18 C23 115.2(6) . . . . ?
C23 C18 C19 C20 0.0(8) . . . . ?
C17 C18 C19 C20 -177.3(5) . . . . ?
C29 O14 C20 C21 -8.2(8) . . . . ?
C29 O14 C20 C19 175.2(5) . . . . ?
C18 C19 C20 C21 -1.3(8) . . . . ?
C18 C19 C20 O14 175.5(5) . . . . ?
O14 C20 C21 C22 -175.8(5) . . . . ?
C19 C20 C21 C22 0.6(8) . . . . ?
C20 C21 C22 C23 1.3(8) . . . . ?
C19 C18 C23 C22 1.8(8) . . . . ?
C17 C18 C23 C22 178.8(5) . . . . ?
C19 C18 C23 C24 178.5(5) . . . . ?
C17 C18 C23 C24 -4.5(8) . . . . ?
C21 C22 C23 C18 -2.5(8) . . . . ?
C21 C22 C23 C24 -179.2(5) . . . . ?
Zn2 O13 C24 O12 8.8(9) 2_565 . . . ?
Zn2 O13 C24 C23 -171.6(4) 2_565 . . . ?
C18 C23 C24 O12 -7.6(8) . . . . ?
C22 C23 C24 O12 169.1(6) . . . . ?
C18 C23 C24 O13 172.8(5) . . . . ?
C22 C23 C24 O13 -10.5(8) . . . . ?
Zn1 O17 C25 O18 -27.3(10) 4_455 . . . ?
Zn1 O17 C25 C26 155.0(4) 4_455 . . . ?
Zn2 O18 C25 O17 -14.4(8) 4_455 . . . ?
Zn2 O18 C25 C26 163.4(3) 4_455 . . . ?
O17 C25 C26 C27 156.8(5) . . . . ?
O18 C25 C26 C27 -21.2(7) . . . . ?
O17 C25 C26 C31 -22.3(8) . . . . ?
O18 C25 C26 C31 159.7(5) . . . . ?
C31 C26 C27 C28 -0.7(8) . . . . ?
C25 C26 C27 C28 -179.8(5) . . . . ?
C26 C27 C28 C29 1.0(8) . . . . ?
C27 C28 C29 C30 -0.3(8) . . . . ?
C27 C28 C29 O14 178.1(5) . . . . ?
C20 O14 C29 C28 113.5(6) . . . . ?
C20 O14 C29 C30 -68.0(7) . . . . ?
C28 C29 C30 C31 -0.6(8) . . . . ?
O14 C29 C30 C31 -179.0(5) . . . . ?
C29 C30 C31 C26 0.8(8) . . . . ?
C29 C30 C31 C32 -170.3(5) . . . . ?
C27 C26 C31 C30 -0.2(8) . . . . ?
C25 C26 C31 C30 178.9(5) . . . . ?
C27 C26 C31 C32 170.4(5) . . . . ?
C25 C26 C31 C32 -10.5(8) . . . . ?
Zn3 O15 C32 O16 5.2(8) 4_455 . . . ?
Zn3 O15 C32 C31 178.8(3) 4_455 . . . ?
C30 C31 C32 O16 100.6(6) . . . . ?
C26 C31 C32 O16 -70.1(7) . . . . ?
C30 C31 C32 O15 -73.6(6) . . . . ?
C26 C31 C32 O15 115.7(6) . . . . ?
C37 N2 C33 C34 -1.1(11) . . . . ?
Zn4 N2 C33 C34 -178.1(6) . . . . ?
N2 C33 C34 C35 0.1(13) . . . . ?
C33 C34 C35 C36 0.0(13) . . . . ?
C34 C35 C36 C37 0.8(13) . . . . ?
C33 N2 C37 C36 1.8(9) . . . . ?
Zn4 N2 C37 C36 179.2(5) . . . . ?
C33 N2 C37 C38 -176.7(6) . . . . ?
Zn4 N2 C37 C38 0.7(7) . . . . ?
C35 C36 C37 N2 -1.7(11) . . . . ?
C35 C36 C37 C38 176.7(7) . . . . ?
C42 N1 C38 C39 -0.6(10) . . . . ?
Zn4 N1 C38 C39 174.6(5) . . . . ?
C42 N1 C38 C37 180.0(6) . . . . ?
Zn4 N1 C38 C37 -4.8(7) . . . . ?
N2 C37 C38 N1 2.7(8) . . . . ?
C36 C37 C38 N1 -175.7(6) . . . . ?
N2 C37 C38 C39 -176.6(6) . . . . ?
C36 C37 C38 C39 5.0(10) . . . . ?
N1 C38 C39 C40 -0.2(11) . . . . ?
C37 C38 C39 C40 179.1(7) . . . . ?
C38 C39 C40 C41 1.3(13) . . . . ?
C39 C40 C41 C42 -1.4(14) . . . . ?
C38 N1 C42 C41 0.5(11) . . . . ?
Zn4 N1 C42 C41 -174.1(6) . . . . ?
C40 C41 C42 N1 0.6(14) . . . . ?
C47 N3 C43 C44 -0.7(11) . . . . ?
Zn3 N3 C43 C44 -178.9(6) . . . . ?
N3 C43 C44 C45 0.5(13) . . . . ?
C43 C44 C45 C46 -0.6(13) . . . . ?
C44 C45 C46 C47 0.8(12) . . . . ?
C43 N3 C47 C46 1.0(9) . . . . ?
Zn3 N3 C47 C46 179.3(5) . . . . ?
C43 N3 C47 C48 -179.1(6) . . . . ?
Zn3 N3 C47 C48 -0.8(6) . . . . ?
C45 C46 C47 N3 -1.0(10) . . . . ?
C45 C46 C47 C48 179.1(6) . . . . ?
C52 N4 C48 C49 -1.7(9) . . . . ?
Zn3 N4 C48 C49 175.4(5) . . . . ?
C52 N4 C48 C47 179.4(6) . . . . ?
Zn3 N4 C48 C47 -3.5(7) . . . . ?
N3 C47 C48 N4 2.8(8) . . . . ?
C46 C47 C48 N4 -177.3(6) . . . . ?
N3 C47 C48 C49 -176.1(6) . . . . ?
C46 C47 C48 C49 3.9(10) . . . . ?
N4 C48 C49 C50 -0.5(10) . . . . ?
C47 C48 C49 C50 178.3(6) . . . . ?
C48 C49 C50 C51 2.6(11) . . . . ?
C49 C50 C51 C52 -2.5(12) . . . . ?
C48 N4 C52 C51 1.9(11) . . . . ?
Zn3 N4 C52 C51 -174.9(6) . . . . ?
C50 C51 C52 N4 0.2(12) . . . . ?
