#------------------------------------------------------------------------------
#$Date: 2016-03-26 19:51:55 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180452 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/21/7212149.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_7212149
loop_
_publ_author_name
'Niu, Cao-Yuan'
'Zheng, Xian-Fu'
'He, Yong'
'Feng, Zhi-Qiang'
'Kou, Chun-Hong'
_publ_section_title
;
 Tuning of unusual secondary ligands to construct fluorescent zinc
 coordination polymers of an unsymmetrical pyridylbenzoate ligand from 1D
 chain to interdigital or porous 2D layers and interpenetrated 3D
 frameworks
;
_journal_issue                   10
_journal_name_full               CrystEngComm
_journal_page_first              2847
_journal_paper_doi               10.1039/b920737f
_journal_volume                  12
_journal_year                    2010
_chemical_formula_sum            'C120 H87 N10 O23.5 Zn5'
_chemical_formula_weight         2363.92
_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                102.188(1)
_cell_angle_beta                 93.507(1)
_cell_angle_gamma                99.410(1)
_cell_formula_units_Z            1
_cell_length_a                   11.3213(8)
_cell_length_b                   11.3297(8)
_cell_length_c                   21.2344(14)
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.50
_cell_measurement_theta_min      2.17
_cell_volume                     2613.5(3)
_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      173(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_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  0.0144
_diffrn_reflns_av_sigmaI/netI    0.0291
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            14689
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.17
_exptl_absorpt_coefficient_mu    1.216
_exptl_absorpt_correction_T_max  0.7194
_exptl_absorpt_correction_T_min  0.6970
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.533
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1236
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.29
_refine_diff_density_max         1.399
_refine_diff_density_min         -1.345
_refine_diff_density_rms         0.084
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     767
_refine_ls_number_reflns         9606
_refine_ls_number_restraints     159
_refine_ls_restrained_S_all      1.157
_refine_ls_R_factor_all          0.0670
_refine_ls_R_factor_gt           0.0544
_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)+(0.0716P)²+4.8462P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1444
_refine_ls_wR_factor_ref         0.1540
_reflns_number_gt                7815
_reflns_number_total             9606
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b920737f.txt
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7212149
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.51942(5) 0.27738(4) 1.08541(2) 0.03633(15) Uani 1 1 d . . .
Zn2 Zn 0.5000 0.5000 1.0000 0.03382(18) Uani 1 2 d S . .
Zn3 Zn 0.11996(7) 0.24337(7) 0.53367(3) 0.0640(2) Uani 1 1 d . . .
O1 O 0.4015(3) 0.2005(3) 1.01043(14) 0.0459(8) Uani 1 1 d . A .
O2 O 0.3660(3) 0.3505(3) 0.96174(14) 0.0433(7) Uani 1 1 d . A .
O3 O 0.4803(3) -0.5352(3) 1.09603(15) 0.0520(8) Uani 1 1 d . . .
O4 O 0.5425(5) -0.5982(3) 1.17783(18) 0.0846(15) Uani 1 1 d . . .
O5 O 0.6821(3) 0.2855(3) 1.05485(16) 0.0501(8) Uani 1 1 d . . .
O6 O 0.6248(3) 0.3890(3) 0.98409(16) 0.0491(8) Uani 1 1 d . . .
O7 O 0.1055(14) 0.0654(17) 0.4719(6) 0.095(4) Uani 0.483(7) 1 d PDU A 1
O7' O 0.1587(17) 0.076(2) 0.4723(9) 0.150(8) Uani 0.517(7) 1 d PDU A 2
O8 O 0.1026(16) 0.2108(15) 0.4259(11) 0.091(5) Uani 0.483(7) 1 d PDU A 1
O8' O 0.0637(18) 0.1977(17) 0.4165(12) 0.113(7) Uani 0.483(7) 1 d PDU A 2
O9 O -0.6922(6) 0.3392(7) 0.5456(3) 0.0307(17) Uani 0.483(7) 1 d PDU . 1
O10 O -0.7536(7) 0.4930(8) 0.6086(5) 0.078(3) Uani 0.483(7) 1 d PDU . 1
C60 C -0.6827(8) 0.4402(10) 0.5797(5) 0.053(3) Uani 0.483(7) 1 d PDU . 1
O10' O -0.7735(7) 0.3807(8) 0.5520(4) 0.074(3) Uani 0.517(7) 1 d PDU . 2
O9' O -0.6751(7) 0.2405(9) 0.5326(4) 0.082(3) Uani 0.517(7) 1 d PDU . 2
C60' C -0.6676(13) 0.3691(15) 0.5539(17) 0.159(16) Uani 0.517(7) 1 d PDU . 2
O11 O 0.401(2) 0.001(2) 0.5357(12) 0.116(7) Uani 0.25 1 d PU . .
O12 O 0.8511(13) 0.2744(12) 0.3454(5) 0.195(4) Uani 1 1 d DU . .
O13 O 0.6458(14) 0.1500(15) 0.3758(8) 0.161(5) Uani 0.50 1 d PU . .
N1 N 0.1251(4) 0.1858(4) 0.62001(18) 0.0483(9) Uani 1 1 d . A .
N2 N 0.4969(3) 0.1319(3) 1.12965(16) 0.0368(8) Uani 1 1 d . . .
N3 N 1.0080(8) 0.5831(6) 0.7440(3) 0.102(2) Uani 1 1 d . . .
N4 N 0.1383(7) 0.1333(7) 0.0729(3) 0.0944(19) Uani 1 1 d . . .
N5 N -0.0299(4) 0.3258(4) 0.5393(2) 0.0575(11) Uani 1 1 d . A .
C1 C 0.1512(5) 0.0759(5) 0.6233(2) 0.0508(12) Uani 1 1 d . . .
H1 H 0.1579 0.0197 0.5841 0.061 Uiso 1 1 calc R A .
C2 C 0.1687(5) 0.0411(4) 0.6805(2) 0.0488(11) Uani 1 1 d . A .
H2 H 0.1872 -0.0378 0.6803 0.059 Uiso 1 1 calc R . .
C3 C 0.1598(4) 0.1202(4) 0.7389(2) 0.0388(9) Uani 1 1 d . . .
C4 C 0.1317(5) 0.2327(5) 0.7351(2) 0.0540(13) Uani 1 1 d . A .
H4 H 0.1239 0.2903 0.7735 0.065 Uiso 1 1 calc R . .
C5 C 0.1149(6) 0.2618(5) 0.6759(2) 0.0612(14) Uani 1 1 d . . .
H5 H 0.0952 0.3397 0.6748 0.073 Uiso 1 1 calc R A .
C6 C 0.1839(4) 0.0872(4) 0.8020(2) 0.0371(9) Uani 1 1 d . A .
C7 C 0.1544(4) -0.0337(4) 0.8082(2) 0.0449(10) Uani 1 1 d . . .
H7 H 0.1140 -0.0956 0.7726 0.054 Uiso 1 1 calc R A .
C8 C 0.1839(5) -0.0638(4) 0.8665(2) 0.0497(12) Uani 1 1 d . A .
H8 H 0.1615 -0.1461 0.8708 0.060 Uiso 1 1 calc R . .
C9 C 0.2451(4) 0.0237(4) 0.9181(2) 0.0436(10) Uani 1 1 d . . .
H9 H 0.2664 0.0015 0.9574 0.052 Uiso 1 1 calc R A .
C10 C 0.2760(4) 0.1454(4) 0.91267(19) 0.0364(9) Uani 1 1 d . A .
C11 C 0.2428(4) 0.1764(4) 0.85508(19) 0.0353(9) Uani 1 1 d . . .
H11 H 0.2604 0.2597 0.8518 0.042 Uiso 1 1 calc R A .
C12 C 0.3527(4) 0.2411(4) 0.9662(2) 0.0377(9) Uani 1 1 d . . .
C13 C 0.4431(4) 0.0191(4) 1.0973(2) 0.0416(10) Uani 1 1 d . . .
H13 H 0.4082 0.0090 1.0542 0.050 Uiso 1 1 calc R . .
C14 C 0.4362(4) -0.0826(4) 1.1237(2) 0.0423(10) Uani 1 1 d . . .
H14 H 0.3963 -0.1606 1.0991 0.051 Uiso 1 1 calc R . .
C15 C 0.4878(4) -0.0709(4) 1.18648(19) 0.0341(9) Uani 1 1 d . . .
C16 C 0.5397(5) 0.0465(4) 1.2203(2) 0.0453(11) Uani 1 1 d . . .
H16 H 0.5736 0.0598 1.2638 0.054 Uiso 1 1 calc R . .
C17 C 0.5420(5) 0.1438(4) 1.1907(2) 0.0475(11) Uani 1 1 d . . .
H17 H 0.5775 0.2235 1.2149 0.057 Uiso 1 1 calc R . .
C18 C 0.4929(4) -0.1799(4) 1.21463(19) 0.0351(9) Uani 1 1 d . . .
C19 C 0.5108(5) -0.1688(4) 1.2810(2) 0.0497(12) Uani 1 1 d . . .
H19 H 0.5129 -0.0912 1.3094 0.060 Uiso 1 1 calc R . .
C20 C 0.5255(6) -0.2681(4) 1.3066(2) 0.0625(15) Uani 1 1 d . . .
H20 H 0.5363 -0.2587 1.3522 0.075 Uiso 1 1 calc R . .
C21 C 0.5246(6) -0.3810(4) 1.2663(2) 0.0584(14) Uani 1 1 d . . .
H21 H 0.5377 -0.4487 1.2840 0.070 Uiso 1 1 calc R . .
C22 C 0.5043(4) -0.3950(4) 1.1994(2) 0.0403(10) Uani 1 1 d . . .
C23 C 0.4866(4) -0.2955(4) 1.17437(19) 0.0349(9) Uani 1 1 d . . .
H23 H 0.4700 -0.3061 1.1289 0.042 Uiso 1 1 calc R . .
C24 C 0.5093(5) -0.5148(4) 1.1557(2) 0.0455(11) Uani 1 1 d . . .
C25 C 1.0960(9) 0.5806(6) 0.7868(4) 0.098(3) Uani 1 1 d . . .
H25 H 1.1746 0.6191 0.7815 0.118 Uiso 1 1 calc R . .
C26 C 1.0824(7) 0.5257(5) 0.8393(3) 0.0742(18) Uani 1 1 d . . .
H26 H 1.1499 0.5276 0.8685 0.089 Uiso 1 1 calc R . .
C27 C 0.9683(5) 0.4680(4) 0.8484(2) 0.0560(13) Uani 1 1 d . . .
C28 C 0.8757(7) 0.4700(6) 0.8033(3) 0.0735(17) Uani 1 1 d . . .
H28 H 0.7960 0.4316 0.8068 0.088 Uiso 1 1 calc R . .
C29 C 0.8993(9) 0.5282(8) 0.7529(4) 0.097(2) Uani 1 1 d . . .
H29 H 0.8337 0.5288 0.7229 0.116 Uiso 1 1 calc R . .
C30 C 0.9490(5) 0.4077(4) 0.9035(2) 0.0477(11) Uani 1 1 d . . .
C31 C 1.0405(5) 0.3615(5) 0.9317(3) 0.0551(12) Uani 1 1 d . . .
H31 H 1.1173 0.3691 0.9156 0.066 Uiso 1 1 calc R . .
C32 C 1.0214(5) 0.3047(5) 0.9827(3) 0.0568(13) Uani 1 1 d . . .
H32 H 1.0846 0.2729 1.0009 0.068 Uiso 1 1 calc R . .
C33 C 0.9112(4) 0.2939(4) 1.0072(2) 0.0471(11) Uani 1 1 d . . .
H33 H 0.8985 0.2539 1.0419 0.056 Uiso 1 1 calc R . .
C34 C 0.8189(4) 0.3414(4) 0.9812(2) 0.0403(10) Uani 1 1 d . . .
C35 C 0.8384(4) 0.3979(4) 0.9290(2) 0.0434(10) Uani 1 1 d . . .
H35 H 0.7752 0.4299 0.9109 0.052 Uiso 1 1 calc R . .
C36 C 0.7009(4) 0.3395(4) 1.0088(2) 0.0381(9) Uani 1 1 d . . .
C37 C 0.1861(9) 0.2084(7) 0.1291(4) 0.101(3) Uani 1 1 d . . .
H37 H 0.2125 0.2926 0.1295 0.121 Uiso 1 1 calc R . .
C38 C 0.1999(7) 0.1712(6) 0.1872(3) 0.0802(19) Uani 1 1 d . . .
H38 H 0.2342 0.2286 0.2259 0.096 Uiso 1 1 calc R . .
C39 C 0.1624(5) 0.0487(5) 0.1872(2) 0.0551(13) Uani 1 1 d . . .
C40 C 0.1167(5) -0.0282(6) 0.1282(3) 0.0657(15) Uani 1 1 d . . .
H40 H 0.0921 -0.1136 0.1252 0.079 Uiso 1 1 calc R . .
C41 C 0.1064(7) 0.0181(7) 0.0739(3) 0.0781(18) Uani 1 1 d . . .
H41 H 0.0739 -0.0376 0.0343 0.094 Uiso 1 1 calc R . .
C42 C 0.1699(4) 0.0024(5) 0.2467(2) 0.0524(12) Uani 1 1 d . . .
C43 C 0.2012(5) -0.1117(6) 0.2460(3) 0.0631(14) Uani 1 1 d . . .
H43 H 0.2183 -0.1604 0.2065 0.076 Uiso 1 1 calc R . .
C44 C 0.2075(7) -0.1543(7) 0.3018(3) 0.086(2) Uani 1 1 d . . .
H44 H 0.2286 -0.2323 0.3010 0.103 Uiso 1 1 calc R . .
C45 C 0.1826(7) -0.0824(8) 0.3595(3) 0.089(2) Uani 1 1 d . . .
H45 H 0.1884 -0.1112 0.3983 0.107 Uiso 1 1 calc R . .
C46 C 0.1499(6) 0.0292(7) 0.3610(3) 0.0743(18) Uani 1 1 d . A .
C47 C 0.1442(5) 0.0712(6) 0.3051(3) 0.0645(15) Uani 1 1 d . . .
H47 H 0.1221 0.1489 0.3061 0.077 Uiso 1 1 calc R . .
C48 C 0.1177(8) 0.1107(11) 0.4239(4) 0.105(3) Uani 1 1 d D . .
C49 C -0.0235(5) 0.4392(6) 0.5687(4) 0.0769(18) Uani 1 1 d . . .
H49 H 0.0542 0.4865 0.5838 0.092 Uiso 1 1 calc R A .
C50 C -0.1209(5) 0.4965(6) 0.5797(3) 0.0733(18) Uani 1 1 d . A .
H50 H -0.1082 0.5808 0.6009 0.088 Uiso 1 1 calc R . .
C51 C -0.2343(4) 0.4345(5) 0.5608(2) 0.0500(12) Uani 1 1 d U . .
C52 C -0.2412(7) 0.3172(7) 0.5274(5) 0.106(3) Uani 1 1 d U A .
H52 H -0.3177 0.2689 0.5107 0.127 Uiso 1 1 calc R . .
C53 C -0.1398(8) 0.2671(7) 0.5175(4) 0.106(3) Uani 1 1 d U . .
H53 H -0.1494 0.1848 0.4933 0.127 Uiso 1 1 calc R A .
C54 C -0.3408(3) 0.4929(4) 0.5770(2) 0.0642(15) Uani 1 1 d GU A .
C55 C -0.4561(3) 0.4233(4) 0.5633(2) 0.086(2) Uani 1 1 d GDU . .
H55 H -0.4675 0.3390 0.5421 0.103 Uiso 1 1 calc R A .
C56 C -0.5548(3) 0.4771(6) 0.5806(2) 0.114(3) Uani 1 1 d GDU . .
C57 C -0.5381(4) 0.6004(6) 0.6116(3) 0.141(4) Uani 1 1 d GDU . .
H57 H -0.6055 0.6372 0.6234 0.170 Uiso 1 1 calc R A .
C58 C -0.4227(5) 0.6700(4) 0.6253(3) 0.138(4) Uani 1 1 d GU A .
H58 H -0.4113 0.7543 0.6465 0.166 Uiso 1 1 calc R . .
C59 C -0.3241(4) 0.6163(4) 0.6080(2) 0.093(2) Uani 1 1 d GU . .
H59 H -0.2452 0.6638 0.6174 0.112 Uiso 1 1 calc R A .
H1W H 0.809(6) 0.276(10) 0.315(3) 0.112 Uiso 1 1 d D . .
H2W H 0.915(4) 0.264(10) 0.334(4) 0.112 Uiso 1 1 d 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'
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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O1 Zn1 O5 107.73(14) . .
O1 Zn1 N2 96.36(13) . .
O5 Zn1 N2 105.53(14) . .
O1 Zn1 O4 142.79(18) . 1_565
O5 Zn1 O4 105.71(19) . 1_565
N2 Zn1 O4 89.98(14) . 1_565
O1 Zn1 O3 96.44(13) . 1_565
O5 Zn1 O3 105.30(14) . 1_565
N2 Zn1 O3 141.00(13) . 1_565
O4 Zn1 O3 58.89(12) 1_565 1_565
O1 Zn1 C24 121.57(15) . 1_565
O5 Zn1 C24 107.97(16) . 1_565
N2 Zn1 C24 116.26(14) . 1_565
O4 Zn1 C24 29.23(14) 1_565 1_565
O3 Zn1 C24 29.66(13) 1_565 1_565
O6 Zn2 O6 179.998(2) 2_667 .
O6 Zn2 O2 90.58(13) 2_667 .
O6 Zn2 O2 89.42(13) . .
O6 Zn2 O2 89.42(13) 2_667 2_667
O6 Zn2 O2 90.58(13) . 2_667
O2 Zn2 O2 180.0 . 2_667
O6 Zn2 O3 88.41(13) 2_667 1_565
O6 Zn2 O3 91.59(13) . 1_565
O2 Zn2 O3 89.55(12) . 1_565
O2 Zn2 O3 90.45(12) 2_667 1_565
O6 Zn2 O3 91.59(13) 2_667 2_657
O6 Zn2 O3 88.40(13) . 2_657
O2 Zn2 O3 90.45(12) . 2_657
O2 Zn2 O3 89.55(12) 2_667 2_657
O3 Zn2 O3 179.999(1) 1_565 2_657
O10' Zn3 N5 96.1(3) 1_655 .
O10' Zn3 N1 102.7(3) 1_655 .
N5 Zn3 N1 101.24(16) . .
O10' Zn3 O7 136.0(5) 1_655 .
N5 Zn3 O7 118.8(4) . .
N1 Zn3 O7 96.2(3) . .
O10' Zn3 O7' 121.2(6) 1_655 .
N5 Zn3 O7' 133.3(5) . .
N1 Zn3 O7' 97.0(5) . .
O7 Zn3 O7' 15.7(6) . .
O10' Zn3 O9 29.8(3) 1_655 1_655
N5 Zn3 O9 125.8(2) . 1_655
N1 Zn3 O9 96.6(2) . 1_655
O7 Zn3 O9 109.4(4) . 1_655
O7' Zn3 O9 93.7(5) . 1_655
O10' Zn3 O8 99.1(5) 1_655 .
N5 Zn3 O8 91.6(4) . .
N1 Zn3 O8 153.2(4) . .
O7 Zn3 O8 57.1(5) . .
O7' Zn3 O8 58.0(6) . .
O9 Zn3 O8 94.6(5) 1_655 .
O10' Zn3 O9' 59.0(3) 1_655 1_655
N5 Zn3 O9' 154.8(3) . 1_655
N1 Zn3 O9' 88.7(3) . 1_655
O7 Zn3 O9' 82.5(5) . 1_655
O7' Zn3 O9' 66.9(6) . 1_655
O9 Zn3 O9' 29.1(3) 1_655 1_655
O8 Zn3 O9' 89.4(5) . 1_655
O10' Zn3 O8' 106.4(5) 1_655 .
N5 Zn3 O8' 84.3(4) . .
N1 Zn3 O8' 149.6(5) . .
O7 Zn3 O8' 56.3(5) . .
O7' Zn3 O8' 60.3(6) . .
O9 Zn3 O8' 104.2(5) 1_655 .
O8 Zn3 O8' 9.9(8) . .
O9' Zn3 O8' 98.9(5) 1_655 .
O10' Zn3 C60' 25.6(4) 1_655 1_655
N5 Zn3 C60' 121.7(4) . 1_655
N1 Zn3 C60' 95.7(8) . 1_655
O7 Zn3 C60' 114.1(6) . 1_655
O7' Zn3 C60' 98.5(7) . 1_655
O9 Zn3 C60' 4.7(5) 1_655 1_655
O8 Zn3 C60' 97.4(9) . 1_655
O9' Zn3 C60' 33.4(4) 1_655 1_655
O8' Zn3 C60' 106.8(9) . 1_655
C12 O1 Zn1 133.4(3) . .
C12 O2 Zn2 132.1(3) . .
C24 O3 Zn2 153.2(3) . 1_545
C24 O3 Zn1 89.7(3) . 1_545
Zn2 O3 Zn1 102.95(13) 1_545 1_545
C24 O4 Zn1 93.5(3) . 1_545
C36 O5 Zn1 116.3(3) . .
C36 O6 Zn2 146.6(3) . .
C48 O7 Zn3 91.0(11) . .
C48 O7' Zn3 88.0(13) . .
C48 O8 Zn3 88.3(13) . .
C48 O8' Zn3 76.6(12) . .
C60 O9 Zn3 110.3(6) . 1_455
O10 C60 O9 132.4(9) . .
O10 C60 C56 129.5(9) . .
O9 C60 C56 97.9(7) . .
C60' O10' Zn3 115.9(9) . 1_455
C60' O9' Zn3 81.8(7) . 1_455
O10' C60' O9' 102.9(10) . .
O10' C60' C56 125.6(13) . .
O9' C60' C56 131.3(12) . .
O10' C60' Zn3 38.4(6) . 1_455
O9' C60' Zn3 64.7(6) . 1_455
C56 C60' Zn3 162.3(12) . 1_455
H1W O12 H2W 107(4) . .
C5 N1 C1 116.9(4) . .
C5 N1 Zn3 121.1(3) . .
C1 N1 Zn3 121.7(3) . .
C17 N2 C13 117.0(4) . .
C17 N2 Zn1 121.4(3) . .
C13 N2 Zn1 121.5(3) . .
C25 N3 C29 115.9(7) . .
C41 N4 C37 116.1(6) . .
C49 N5 C53 114.4(5) . .
C49 N5 Zn3 121.8(4) . .
C53 N5 Zn3 123.7(4) . .
N1 C1 C2 122.9(4) . .
N1 C1 H1 118.5 . .
C2 C1 H1 118.5 . .
C1 C2 C3 120.5(5) . .
C1 C2 H2 119.7 . .
C3 C2 H2 119.7 . .
C4 C3 C2 116.2(4) . .
C4 C3 C6 122.0(4) . .
C2 C3 C6 121.8(4) . .
C5 C4 C3 120.3(4) . .
C5 C4 H4 119.8 . .
C3 C4 H4 119.8 . .
N1 C5 C4 123.2(5) . .
N1 C5 H5 118.4 . .
C4 C5 H5 118.4 . .
C7 C6 C11 119.0(4) . .
C7 C6 C3 120.8(4) . .
C11 C6 C3 120.1(4) . .
C8 C7 C6 120.0(4) . .
C8 C7 H7 120.0 . .
C6 C7 H7 120.0 . .
C9 C8 C7 120.9(4) . .
C9 C8 H8 119.6 . .
C7 C8 H8 119.6 . .
C8 C9 C10 120.0(4) . .
C8 C9 H9 120.0 . .
C10 C9 H9 120.0 . .
C11 C10 C9 119.2(4) . .
C11 C10 C12 119.5(4) . .
C9 C10 C12 121.1(4) . .
C10 C11 C6 121.0(4) . .
C10 C11 H11 119.5 . .
C6 C11 H11 119.5 . .
O2 C12 O1 126.3(4) . .
O2 C12 C10 118.0(4) . .
O1 C12 C10 115.6(4) . .
N2 C13 C14 123.0(4) . .
N2 C13 H13 118.5 . .
C14 C13 H13 118.5 . .
C13 C14 C15 119.8(4) . .
C13 C14 H14 120.1 . .
C15 C14 H14 120.1 . .
C16 C15 C14 116.7(4) . .
C16 C15 C18 121.5(4) . .
C14 C15 C18 121.7(4) . .
C17 C16 C15 119.8(4) . .
C17 C16 H16 120.1 . .
C15 C16 H16 120.1 . .
N2 C17 C16 123.4(4) . .
N2 C17 H17 118.3 . .
C16 C17 H17 118.3 . .
C19 C18 C23 118.1(4) . .
C19 C18 C15 121.4(4) . .
C23 C18 C15 120.4(4) . .
C20 C19 C18 121.2(4) . .
C20 C19 H19 119.4 . .
C18 C19 H19 119.4 . .
C19 C20 C21 120.3(4) . .
C19 C20 H20 119.8 . .
C21 C20 H20 119.8 . .
C20 C21 C22 119.5(4) . .
C20 C21 H21 120.3 . .
C22 C21 H21 120.3 . .
C23 C22 C21 119.7(4) . .
C23 C22 C24 120.7(4) . .
C21 C22 C24 119.5(4) . .
C22 C23 C18 121.1(4) . .
C22 C23 H23 119.4 . .
C18 C23 H23 119.4 . .
O4 C24 O3 118.0(4) . .
O4 C24 C22 120.4(4) . .
O3 C24 C22 121.6(4) . .
O4 C24 Zn1 57.3(2) . 1_545
O3 C24 Zn1 60.7(2) . 1_545
C22 C24 Zn1 177.7(3) . 1_545
N3 C25 C26 124.8(8) . .
N3 C25 H25 117.6 . .
C26 C25 H25 117.6 . .
C25 C26 C27 119.1(7) . .
C25 C26 H26 120.5 . .
C27 C26 H26 120.5 . .
C28 C27 C26 116.2(5) . .
C28 C27 C30 122.6(5) . .
C26 C27 C30 121.2(6) . .
C27 C28 C29 119.9(7) . .
C27 C28 H28 120.1 . .
C29 C28 H28 120.1 . .
N3 C29 C28 124.0(8) . .
N3 C29 H29 118.0 . .
C28 C29 H29 118.0 . .
C35 C30 C31 118.2(4) . .
C35 C30 C27 120.3(5) . .
C31 C30 C27 121.4(5) . .
C32 C31 C30 121.0(5) . .
C32 C31 H31 119.5 . .
C30 C31 H31 119.5 . .
C33 C32 C31 120.5(5) . .
C33 C32 H32 119.8 . .
C31 C32 H32 119.8 . .
C32 C33 C34 120.1(5) . .
C32 C33 H33 120.0 . .
C34 C33 H33 120.0 . .
C33 C34 C35 119.3(4) . .
C33 C34 C36 122.1(4) . .
C35 C34 C36 118.5(4) . .
C30 C35 C34 121.0(4) . .
C30 C35 H35 119.5 . .
C34 C35 H35 119.5 . .
O6 C36 O5 123.6(4) . .
O6 C36 C34 117.8(4) . .
O5 C36 C34 118.5(4) . .
N4 C37 C38 124.2(7) . .
N4 C37 H37 117.9 . .
C38 C37 H37 117.9 . .
C39 C38 C37 118.4(7) . .
C39 C38 H38 120.8 . .
C37 C38 H38 120.8 . .
C40 C39 C38 116.5(6) . .
C40 C39 C42 121.6(5) . .
C38 C39 C42 122.0(5) . .
C41 C40 C39 120.4(6) . .
C41 C40 H40 119.8 . .
C39 C40 H40 119.8 . .
N4 C41 C40 124.3(7) . .
N4 C41 H41 117.8 . .
C40 C41 H41 117.8 . .
C47 C42 C43 118.5(5) . .
C47 C42 C39 120.6(5) . .
C43 C42 C39 120.9(4) . .
C44 C43 C42 120.4(5) . .
C44 C43 H43 119.8 . .
C42 C43 H43 119.8 . .
C43 C44 C45 119.6(7) . .
C43 C44 H44 120.2 . .
C45 C44 H44 120.2 . .
C46 C45 C44 120.8(6) . .
C46 C45 H45 119.6 . .
C44 C45 H45 119.6 . .
C45 C46 C47 119.2(6) . .
C45 C46 C48 122.5(7) . .
C47 C46 C48 118.3(7) . .
C46 C47 C42 121.5(6) . .
C46 C47 H47 119.3 . .
C42 C47 H47 119.3 . .
O8 C48 O7 120.5(16) . .
O8 C48 O7' 123.5(18) . .
O7 C48 O7' 27.4(11) . .
O8 C48 O8' 21.1(15) . .
O7 C48 O8' 120.6(16) . .
O7' C48 O8' 134.7(18) . .
O8 C48 C46 121.4(13) . .
O7 C48 C46 118.1(12) . .
O7' C48 C46 109.1(14) . .
O8' C48 C46 116.2(13) . .
N5 C49 C50 124.8(6) . .
N5 C49 H49 117.6 . .
C50 C49 H49 117.6 . .
C51 C50 C49 121.0(6) . .
C51 C50 H50 119.5 . .
C49 C50 H50 119.5 . .
C50 C51 C52 114.3(5) . .
C50 C51 C54 121.4(5) . .
C52 C51 C54 124.3(5) . .
C51 C52 C53 121.2(7) . .
C51 C52 H52 119.4 . .
C53 C52 H52 119.4 . .
N5 C53 C52 124.1(7) . .
N5 C53 H53 117.9 . .
C52 C53 H53 117.9 . .
C55 C54 C59 120.0 . .
C55 C54 C51 120.2(3) . .
C59 C54 C51 119.8(3) . .
C56 C55 C54 120.0 . .
C56 C55 H55 120.0 . .
C54 C55 H55 120.0 . .
C55 C56 C57 120.0 . .
C55 C56 C60 138.2(6) . .
C57 C56 C60 101.7(6) . .
C55 C56 C60' 103.9(7) . .
C57 C56 C60' 136.0(7) . .
C60 C56 C60' 34.8(8) . .
C58 C57 C56 120.0 . .
C58 C57 H57 120.0 . .
C56 C57 H57 120.0 . .
C57 C58 C59 120.0 . .
C57 C58 H58 120.0 . .
C59 C58 H58 120.0 . .
C58 C59 C54 120.0 . .
C58 C59 H59 120.0 . .
C54 C59 H59 120.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O1 1.962(3) .
Zn1 O5 1.985(3) .
Zn1 N2 2.051(3) .
Zn1 O4 2.134(4) 1_565
Zn1 O3 2.207(3) 1_565
Zn1 C24 2.532(4) 1_565
Zn2 O6 2.038(3) 2_667
Zn2 O6 2.038(3) .
Zn2 O2 2.063(3) .
Zn2 O2 2.063(3) 2_667
Zn2 O3 2.176(3) 1_565
Zn2 O3 2.176(3) 2_657
Zn3 O10' 1.761(8) 1_655
Zn3 N5 2.064(4) .
Zn3 N1 2.072(4) .
Zn3 O7 2.136(18) .
Zn3 O7' 2.19(2) .
Zn3 O9 2.197(7) 1_655
Zn3 O8 2.23(2) .
Zn3 O9' 2.327(8) 1_655
Zn3 O8' 2.45(2) .
Zn3 C60' 2.548(13) 1_655
O1 C12 1.265(5) .
O2 C12 1.249(5) .
O3 C24 1.253(5) .
O3 Zn2 2.177(3) 1_545
O3 Zn1 2.207(3) 1_545
O4 C24 1.239(6) .
O4 Zn1 2.135(4) 1_545
O5 C36 1.270(5) .
O6 C36 1.248(5) .
O7 C48 1.238(14) .
O7' C48 1.263(17) .
O8 C48 1.168(16) .
O8' C48 1.274(17) .
O9 C60 1.203(12) .
O9 Zn3 2.197(7) 1_455
O10 C60 1.201(11) .
C60 C56 1.437(9) .
O10' C60' 1.226(15) .
O10' Zn3 1.761(8) 1_455
O9' C60' 1.418(16) .
O9' Zn3 2.327(8) 1_455
C60' C56 1.599(12) .
C60' Zn3 2.548(13) 1_455
O12 H1W 0.80(2) .
O12 H2W 0.80(2) .
N1 C5 1.335(6) .
N1 C1 1.341(6) .
N2 C17 1.334(5) .
N2 C13 1.341(6) .
N3 C25 1.315(11) .
N3 C29 1.328(11) .
N4 C41 1.301(9) .
N4 C37 1.334(10) .
N5 C49 1.292(7) .
N5 C53 1.317(9) .
C1 C2 1.367(7) .
C1 H1 0.9500 .
C2 C3 1.388(6) .
C2 H2 0.9500 .
C3 C4 1.381(7) .
C3 C6 1.487(6) .
C4 C5 1.374(7) .
C4 H4 0.9500 .
C5 H5 0.9500 .
C6 C7 1.392(6) .
C6 C11 1.394(6) .
C7 C8 1.388(6) .
C7 H7 0.9500 .
C8 C9 1.373(6) .
C8 H8 0.9500 .
C9 C10 1.396(6) .
C9 H9 0.9500 .
C10 C11 1.389(6) .
C10 C12 1.507(6) .
C11 H11 0.9500 .
C13 C14 1.377(6) .
C13 H13 0.9500 .
C14 C15 1.394(6) .
C14 H14 0.9500 .
C15 C16 1.386(6) .
C15 C18 1.488(5) .
C16 C17 1.377(6) .
C16 H16 0.9500 .
C17 H17 0.9500 .
C18 C19 1.388(6) .
C18 C23 1.393(6) .
C19 C20 1.377(6) .
C19 H19 0.9500 .
C20 C21 1.379(7) .
C20 H20 0.9500 .
C21 C22 1.398(6) .
C21 H21 0.9500 .
C22 C23 1.380(6) .
C22 C24 1.485(6) .
C23 H23 0.9500 .
C24 Zn1 2.532(4) 1_545
C25 C26 1.391(10) .
C25 H25 0.9500 .
C26 C27 1.392(8) .
C26 H26 0.9500 .
C27 C28 1.383(9) .
C27 C30 1.485(7) .
C28 C29 1.388(9) .
C28 H28 0.9500 .
C29 H29 0.9500 .
C30 C35 1.393(7) .
C30 C31 1.393(7) .
C31 C32 1.382(8) .
C31 H31 0.9500 .
C32 C33 1.377(7) .
C32 H32 0.9500 .
C33 C34 1.388(6) .
C33 H33 0.9500 .
C34 C35 1.402(6) .
C34 C36 1.490(6) .
C35 H35 0.9500 .
C37 C38 1.395(10) .
C37 H37 0.9500 .
C38 C39 1.383(8) .
C38 H38 0.9500 .
C39 C40 1.381(8) .
C39 C42 1.471(7) .
C40 C41 1.370(8) .
C40 H40 0.9500 .
C41 H41 0.9500 .
C42 C47 1.392(7) .
C42 C43 1.392(8) .
C43 C44 1.373(8) .
C43 H43 0.9500 .
C44 C45 1.393(10) .
C44 H44 0.9500 .
C45 C46 1.370(10) .
C45 H45 0.9500 .
C46 C47 1.372(9) .
C46 C48 1.555(11) .
C47 H47 0.9500 .
C49 C50 1.376(8) .
C49 H49 0.9500 .
C50 C51 1.351(7) .
C50 H50 0.9500 .
C51 C52 1.355(9) .
C51 C54 1.491(6) .
C52 C53 1.370(11) .
C52 H52 0.9500 .
C53 H53 0.9500 .
C54 C55 1.3900 .
C54 C59 1.3900 .
C55 C56 1.3900 .
C55 H55 0.9500 .
C56 C57 1.3900 .
C57 C58 1.3900 .
C57 H57 0.9500 .
C58 C59 1.3900 .
C58 H58 0.9500 .
C59 H59 0.9500 .
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
O5 Zn1 O1 C12 -83.6(4) . .
N2 Zn1 O1 C12 167.8(4) . .
O4 Zn1 O1 C12 69.4(5) 1_565 .
O3 Zn1 O1 C12 24.7(4) 1_565 .
C24 Zn1 O1 C12 41.6(5) 1_565 .
O6 Zn2 O2 C12 -141.4(4) 2_667 .
O6 Zn2 O2 C12 38.6(4) . .
O2 Zn2 O2 C12 123(4) 2_667 .
O3 Zn2 O2 C12 -53.0(4) 1_565 .
O3 Zn2 O2 C12 127.0(4) 2_657 .
O1 Zn1 O5 C36 55.4(3) . .
N2 Zn1 O5 C36 157.5(3) . .
O4 Zn1 O5 C36 -108.0(3) 1_565 .
O3 Zn1 O5 C36 -46.7(3) 1_565 .
C24 Zn1 O5 C36 -77.5(3) 1_565 .
O6 Zn2 O6 C36 173(7) 2_667 .
O2 Zn2 O6 C36 -111.7(6) . .
O2 Zn2 O6 C36 68.3(6) 2_667 .
O3 Zn2 O6 C36 -22.1(6) 1_565 .
O3 Zn2 O6 C36 157.9(6) 2_657 .
O10' Zn3 O7 C48 -57.0(12) 1_655 .
N5 Zn3 O7 C48 81.1(9) . .
N1 Zn3 O7 C48 -172.5(8) . .
O7' Zn3 O7 C48 -79(2) . .
O9 Zn3 O7 C48 -73.2(9) 1_655 .
O8 Zn3 O7 C48 9.5(9) . .
O9' Zn3 O7 C48 -84.7(9) 1_655 .
O8' Zn3 O7 C48 21.3(9) . .
C60' Zn3 O7 C48 -73.5(13) 1_655 .
O10' Zn3 O7' C48 -88.6(10) 1_655 .
N5 Zn3 O7' C48 49.2(13) . .
N1 Zn3 O7' C48 161.9(9) . .
O7 Zn3 O7' C48 74(2) . .
O9 Zn3 O7' C48 -101.0(10) 1_655 .
O8 Zn3 O7' C48 -7.9(9) . .
O9' Zn3 O7' C48 -112.6(11) 1_655 .
O8' Zn3 O7' C48 3.3(9) . .
C60' Zn3 O7' C48 -101.3(12) 1_655 .
O10' Zn3 O8 C48 129.8(10) 1_655 .
N5 Zn3 O8 C48 -133.8(10) . .
N1 Zn3 O8 C48 -14.6(19) . .
O7 Zn3 O8 C48 -10.1(9) . .
O7' Zn3 O8 C48 8.5(10) . .
O9 Zn3 O8 C48 100.0(11) 1_655 .
O9' Zn3 O8 C48 71.3(11) 1_655 .
O8' Zn3 O8 C48 -92(4) . .
C60' Zn3 O8 C48 103.9(11) 1_655 .
O10' Zn3 O8' C48 113.6(10) 1_655 .
N5 Zn3 O8' C48 -151.7(10) . .
N1 Zn3 O8' C48 -49.2(16) . .
O7 Zn3 O8' C48 -21.3(9) . .
O7' Zn3 O8' C48 -3.4(9) . .
O9 Zn3 O8' C48 82.8(10) 1_655 .
O8 Zn3 O8' C48 70(4) . .
O9' Zn3 O8' C48 53.5(10) 1_655 .
C60' Zn3 O8' C48 86.9(11) 1_655 .
Zn3 O9 C60 O10 3.1(15) 1_455 .
Zn3 O9 C60 C56 178.0(5) 1_455 .
Zn3 O10' C60' O9' 6(3) 1_455 .
Zn3 O10' C60' C56 -169(2) 1_455 .
Zn3 O9' C60' O10' -4(2) 1_455 .
Zn3 O9' C60' C56 171(3) 1_455 .
O10' Zn3 N1 C5 50.7(5) 1_655 .
N5 Zn3 N1 C5 -48.2(5) . .
O7 Zn3 N1 C5 -169.2(6) . .
O7' Zn3 N1 C5 175.0(7) . .
O9 Zn3 N1 C5 80.4(5) 1_655 .
O8 Zn3 N1 C5 -165.5(11) . .
O9' Zn3 N1 C5 108.4(5) 1_655 .
O8' Zn3 N1 C5 -146.2(9) . .
C60' Zn3 N1 C5 75.7(6) 1_655 .
O10' Zn3 N1 C1 -122.1(5) 1_655 .
N5 Zn3 N1 C1 138.9(4) . .
O7 Zn3 N1 C1 17.9(6) . .
O7' Zn3 N1 C1 2.1(6) . .
O9 Zn3 N1 C1 -92.5(4) 1_655 .
O8 Zn3 N1 C1 21.7(12) . .
O9' Zn3 N1 C1 -64.4(5) 1_655 .
O8' Zn3 N1 C1 41.0(10) . .
C60' Zn3 N1 C1 -97.1(6) 1_655 .
O1 Zn1 N2 C17 -167.5(4) . .
O5 Zn1 N2 C17 82.1(4) . .
O4 Zn1 N2 C17 -24.2(4) 1_565 .
O3 Zn1 N2 C17 -59.0(5) 1_565 .
C24 Zn1 N2 C17 -37.5(4) 1_565 .
O1 Zn1 N2 C13 16.9(4) . .
O5 Zn1 N2 C13 -93.6(4) . .
O4 Zn1 N2 C13 160.1(4) 1_565 .
O3 Zn1 N2 C13 125.3(3) 1_565 .
C24 Zn1 N2 C13 146.8(3) 1_565 .
O10' Zn3 N5 C49 -18.4(6) 1_655 .
N1 Zn3 N5 C49 85.9(5) . .
O7 Zn3 N5 C49 -170.6(6) . .
O7' Zn3 N5 C49 -163.1(8) . .
O9 Zn3 N5 C49 -20.9(6) 1_655 .
O8 Zn3 N5 C49 -117.8(7) . .
O9' Zn3 N5 C49 -25.6(8) 1_655 .
O8' Zn3 N5 C49 -124.3(7) . .
C60' Zn3 N5 C49 -18.1(11) 1_655 .
O10' Zn3 N5 C53 166.1(7) 1_655 .
N1 Zn3 N5 C53 -89.6(6) . .
O7 Zn3 N5 C53 13.9(7) . .
O7' Zn3 N5 C53 21.4(9) . .
O9 Zn3 N5 C53 163.6(6) 1_655 .
O8 Zn3 N5 C53 66.8(8) . .
O9' Zn3 N5 C53 158.9(7) 1_655 .
O8' Zn3 N5 C53 60.2(8) . .
C60' Zn3 N5 C53 166.5(11) 1_655 .
C5 N1 C1 C2 -0.8(8) . .
Zn3 N1 C1 C2 172.3(4) . .
N1 C1 C2 C3 0.1(8) . .
C1 C2 C3 C4 0.6(7) . .
C1 C2 C3 C6 -177.1(4) . .
C2 C3 C4 C5 -0.4(8) . .
C6 C3 C4 C5 177.2(5) . .
C1 N1 C5 C4 1.0(9) . .
Zn3 N1 C5 C4 -172.2(5) . .
C3 C4 C5 N1 -0.4(9) . .
C4 C3 C6 C7 148.1(5) . .
C2 C3 C6 C7 -34.4(7) . .
C4 C3 C6 C11 -35.4(7) . .
C2 C3 C6 C11 142.1(5) . .
C11 C6 C7 C8 -0.2(7) . .
C3 C6 C7 C8 176.3(4) . .
C6 C7 C8 C9 -1.8(8) . .
C7 C8 C9 C10 1.5(8) . .
C8 C9 C10 C11 0.8(7) . .
C8 C9 C10 C12 -174.5(4) . .
C9 C10 C11 C6 -2.8(6) . .
C12 C10 C11 C6 172.6(4) . .
C7 C6 C11 C10 2.5(6) . .
C3 C6 C11 C10 -174.0(4) . .
Zn2 O2 C12 O1 21.9(7) . .
Zn2 O2 C12 C10 -155.0(3) . .
Zn1 O1 C12 O2 -3.8(7) . .
Zn1 O1 C12 C10 173.1(3) . .
C11 C10 C12 O2 12.6(6) . .
C9 C10 C12 O2 -172.1(4) . .
C11 C10 C12 O1 -164.6(4) . .
C9 C10 C12 O1 10.7(6) . .
C17 N2 C13 C14 -1.9(7) . .
Zn1 N2 C13 C14 173.9(4) . .
N2 C13 C14 C15 -0.8(7) . .
C13 C14 C15 C16 2.8(7) . .
C13 C14 C15 C18 -174.0(4) . .
C14 C15 C16 C17 -2.2(7) . .
C18 C15 C16 C17 174.6(4) . .
C13 N2 C17 C16 2.5(7) . .
Zn1 N2 C17 C16 -173.3(4) . .
C15 C16 C17 N2 -0.5(8) . .
C16 C15 C18 C19 22.5(7) . .
C14 C15 C18 C19 -160.9(5) . .
C16 C15 C18 C23 -153.8(4) . .
C14 C15 C18 C23 22.8(6) . .
C23 C18 C19 C20 1.9(8) . .
C15 C18 C19 C20 -174.5(5) . .
C18 C19 C20 C21 1.0(9) . .
C19 C20 C21 C22 -2.3(10) . .
C20 C21 C22 C23 0.7(8) . .
C20 C21 C22 C24 177.0(5) . .
C21 C22 C23 C18 2.3(7) . .
C24 C22 C23 C18 -174.0(4) . .
C19 C18 C23 C22 -3.5(7) . .
C15 C18 C23 C22 172.9(4) . .
Zn1 O4 C24 O3 -0.3(5) 1_545 .
Zn1 O4 C24 C22 179.6(4) 1_545 .
Zn2 O3 C24 O4 -118.8(7) 1_545 .
Zn1 O3 C24 O4 0.3(5) 1_545 .
Zn2 O3 C24 C22 61.4(10) 1_545 .
Zn1 O3 C24 C22 -179.6(4) 1_545 .
Zn2 O3 C24 Zn1 -119.1(7) 1_545 1_545
C23 C22 C24 O4 169.3(5) . .
C21 C22 C24 O4 -6.9(8) . .
C23 C22 C24 O3 -10.8(7) . .
C21 C22 C24 O3 173.0(5) . .
C23 C22 C24 Zn1 179(100) . 1_545
C21 C22 C24 Zn1 2(9) . 1_545
C29 N3 C25 C26 -0.1(12) . .
N3 C25 C26 C27 0.2(11) . .
C25 C26 C27 C28 0.0(8) . .
C25 C26 C27 C30 179.8(5) . .
C26 C27 C28 C29 -0.4(9) . .
C30 C27 C28 C29 179.8(6) . .
C25 N3 C29 C28 -0.3(12) . .
C27 C28 C29 N3 0.6(12) . .
C28 C27 C30 C35 -28.0(7) . .
C26 C27 C30 C35 152.2(5) . .
C28 C27 C30 C31 153.1(5) . .
C26 C27 C30 C31 -26.7(7) . .
C35 C30 C31 C32 1.5(7) . .
C27 C30 C31 C32 -179.5(5) . .
C30 C31 C32 C33 -0.7(8) . .
C31 C32 C33 C34 -0.7(8) . .
C32 C33 C34 C35 1.3(7) . .
C32 C33 C34 C36 -175.8(4) . .
C31 C30 C35 C34 -0.9(7) . .
C27 C30 C35 C34 -179.9(4) . .
C33 C34 C35 C30 -0.5(7) . .
C36 C34 C35 C30 176.7(4) . .
Zn2 O6 C36 O5 45.4(8) . .
Zn2 O6 C36 C34 -136.4(5) . .
Zn1 O5 C36 O6 2.0(6) . .
Zn1 O5 C36 C34 -176.2(3) . .
C33 C34 C36 O6 176.9(4) . .
C35 C34 C36 O6 -0.2(6) . .
C33 C34 C36 O5 -4.7(6) . .
C35 C34 C36 O5 178.2(4) . .
C41 N4 C37 C38 -1.9(12) . .
N4 C37 C38 C39 0.3(12) . .
C37 C38 C39 C40 1.7(9) . .
C37 C38 C39 C42 -177.9(6) . .
C38 C39 C40 C41 -2.1(9) . .
C42 C39 C40 C41 177.5(5) . .
C37 N4 C41 C40 1.5(11) . .
C39 C40 C41 N4 0.5(11) . .
C40 C39 C42 C47 -140.7(6) . .
C38 C39 C42 C47 38.8(8) . .
C40 C39 C42 C43 38.4(8) . .
C38 C39 C42 C43 -142.1(6) . .
C47 C42 C43 C44 -0.6(9) . .
C39 C42 C43 C44 -179.7(6) . .
C42 C43 C44 C45 -0.2(11) . .
C43 C44 C45 C46 1.2(12) . .
C44 C45 C46 C47 -1.4(11) . .
C44 C45 C46 C48 178.2(7) . .
C45 C46 C47 C42 0.5(10) . .
C48 C46 C47 C42 -179.0(6) . .
C43 C42 C47 C46 0.4(8) . .
C39 C42 C47 C46 179.6(5) . .
Zn3 O8 C48 O7 17.2(16) . .
Zn3 O8 C48 O7' -15.1(17) . .
Zn3 O8 C48 O8' 114(6) . .
Zn3 O8 C48 C46 -164.7(8) . .
Zn3 O7 C48 O8 -17.9(17) . .
Zn3 O7 C48 O7' 87(4) . .
Zn3 O7 C48 O8' -42.5(17) . .
Zn3 O7 C48 C46 163.8(7) . .
Zn3 O7' C48 O8 15.4(17) . .
Zn3 O7' C48 O7 -77(4) . .
Zn3 O7' C48 O8' -8(2) . .
Zn3 O7' C48 C46 168.2(6) . .
Zn3 O8' C48 O8 -59(5) . .
Zn3 O8' C48 O7 37.2(14) . .
Zn3 O8' C48 O7' 7(2) . .
Zn3 O8' C48 C46 -168.6(8) . .
C45 C46 C48 O8 171.7(14) . .
C47 C46 C48 O8 -8.7(16) . .
C45 C46 C48 O7 -10.1(14) . .
C47 C46 C48 O7 169.5(11) . .
C45 C46 C48 O7' 18.3(14) . .
C47 C46 C48 O7' -162.2(12) . .
C45 C46 C48 O8' -164.9(13) . .
C47 C46 C48 O8' 14.7(15) . .
C53 N5 C49 C50 2.5(11) . .
Zn3 N5 C49 C50 -173.4(6) . .
N5 C49 C50 C51 1.4(12) . .
C49 C50 C51 C52 -4.0(10) . .
C49 C50 C51 C54 175.1(6) . .
C50 C51 C52 C53 3.0(12) . .
C54 C51 C52 C53 -176.1(7) . .
C49 N5 C53 C52 -3.5(13) . .
Zn3 N5 C53 C52 172.2(7) . .
C51 C52 C53 N5 0.8(15) . .
C50 C51 C54 C55 -172.8(5) . .
C52 C51 C54 C55 6.2(8) . .
C50 C51 C54 C59 4.9(7) . .
C52 C51 C54 C59 -176.1(6) . .
C59 C54 C55 C56 0.0 . .
C51 C54 C55 C56 177.7(4) . .
C54 C55 C56 C57 0.0 . .
C54 C55 C56 C60 -175.2(8) . .
C54 C55 C56 C60' 177.7(14) . .
O10 C60 C56 C55 162.6(9) . .
O9 C60 C56 C55 -12.5(11) . .
O10 C60 C56 C57 -13.1(13) . .
O9 C60 C56 C57 171.8(6) . .
O10 C60 C56 C60' 175(3) . .
O9 C60 C56 C60' 0(2) . .
O10' C60' C56 C55 -171(3) . .
O9' C60' C56 C55 15(4) . .
Zn3 C60' C56 C55 167(6) 1_455 .
O10' C60' C56 C57 6(5) . .
O9' C60' C56 C57 -167.7(19) . .
Zn3 C60' C56 C57 -16(8) 1_455 .
O10' C60' C56 C60 17.5(14) . .
O9' C60' C56 C60 -156(5) . .
Zn3 C60' C56 C60 -5(5) 1_455 .
C55 C56 C57 C58 0.0 . .
C60 C56 C57 C58 176.7(5) . .
C60' C56 C57 C58 -176.8(19) . .
C56 C57 C58 C59 0.0 . .
C57 C58 C59 C54 0.0 . .
C55 C54 C59 C58 0.0 . .
C51 C54 C59 C58 -177.7(4) . .
