#------------------------------------------------------------------------------
#$Date: 2021-02-22 10:49:57 +0200 (Mon, 22 Feb 2021) $
#$Revision: 262131 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/05/1560521.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_1560521
loop_
_publ_author_name
'Wang, Jun'
'Bai, Chao'
'Hu, Huai-Ming'
'Yuan, Fei'
'Xue, Gang-Lin'
_publ_section_title
;
 A family of entangled coordination polymers constructed from a flexible
 V-shaped long bicarboxylic acid and auxiliary N-donor ligands:
 Luminescent sensing
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              87
_journal_page_last               97
_journal_paper_doi               10.1016/j.jssc.2017.02.015
_journal_volume                  249
_journal_year                    2017
_chemical_formula_sum            'C76 H56 N2 O18 Zn3'
_chemical_formula_weight         1481.34
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.780(2)
_cell_angle_beta                 101.488(2)
_cell_angle_gamma                95.103(2)
_cell_formula_units_Z            2
_cell_length_a                   11.2682(10)
_cell_length_b                   16.4077(15)
_cell_length_c                   19.0071(17)
_cell_measurement_reflns_used    3334
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      21.19
_cell_measurement_theta_min      2.39
_cell_volume                     3428.3(5)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0314
_diffrn_reflns_av_sigmaI/netI    0.0706
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            19246
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         1.09
_exptl_absorpt_coefficient_mu    1.115
_exptl_absorpt_correction_T_max  0.8078
_exptl_absorpt_correction_T_min  0.7309
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    1.435
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1520
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.859
_refine_diff_density_min         -1.015
_refine_diff_density_rms         0.171
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.221
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     868
_refine_ls_number_reflns         12093
_refine_ls_number_restraints     1387
_refine_ls_restrained_S_all      1.232
_refine_ls_R_factor_all          0.1474
_refine_ls_R_factor_gt           0.1102
_refine_ls_shift/su_max          0.016
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3142
_refine_ls_wR_factor_ref         0.3435
_reflns_number_gt                7478
_reflns_number_total             12093
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            mmc6.cif
_cod_data_source_block           4
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 8369 2020-08-20 11:38:08Z andrius 
;
_cod_original_sg_symbol_H-M      'P-1   '
_cod_database_code               1560521
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
C46 C 0.9348(8) -0.4139(5) 0.6869(4) 0.083(3) Uani 1 1 d GU . .
C47 C 0.8257(8) -0.3799(7) 0.6633(5) 0.155(6) Uani 1 1 d GU . .
H47 H 0.7568 -0.3990 0.6803 0.186 Uiso 1 1 calc R . .
C49 C 0.8197(11) -0.3174(7) 0.6144(6) 0.163(6) Uani 1 1 d GU . .
H49 H 0.7467 -0.2947 0.5987 0.196 Uiso 1 1 calc R . .
C51 C 0.9228(14) -0.2889(6) 0.5891(5) 0.164(6) Uani 1 1 d GDU . .
C50 C 1.0319(11) -0.3229(6) 0.6126(5) 0.140(5) Uani 1 1 d GU . .
H50 H 1.1009 -0.3039 0.5957 0.168 Uiso 1 1 calc R . .
C48 C 1.0379(7) -0.3854(6) 0.6615(5) 0.107(4) Uani 1 1 d GU . .
H48 H 1.1109 -0.4082 0.6772 0.128 Uiso 1 1 calc R . .
C53 C 0.7082(16) -0.1042(10) 0.4984(7) 0.175(6) Uani 1 1 d GDU . .
C54 C 0.7992(13) -0.1556(12) 0.4966(8) 0.195(7) Uani 1 1 d GDU . .
C55 C 0.7844(15) -0.2153(11) 0.4422(10) 0.223(9) Uani 1 1 d GU . .
H55 H 0.8453 -0.2497 0.4409 0.268 Uiso 1 1 calc R . .
C56 C 0.6786(18) -0.2236(10) 0.3896(8) 0.217(9) Uani 1 1 d GU . .
H56 H 0.6687 -0.2635 0.3532 0.261 Uiso 1 1 calc R . .
C57 C 0.5875(13) -0.1722(12) 0.3914(8) 0.198(8) Uani 1 1 d GU . .
H57 H 0.5167 -0.1777 0.3562 0.237 Uiso 1 1 calc R . .
C58 C 0.6023(14) -0.1125(11) 0.4458(9) 0.217(8) Uani 1 1 d GU . .
H58 H 0.5414 -0.0781 0.4471 0.261 Uiso 1 1 calc R . .
C1 C 0.4693(8) 0.3156(5) 0.7849(5) 0.056(2) Uani 1 1 d U . .
C2 C 0.4258(8) 0.2589(6) 0.8345(6) 0.072(3) Uani 1 1 d U . .
C3 C 0.3076(9) 0.2475(8) 0.8390(8) 0.105(4) Uani 1 1 d U . .
H3 H 0.2521 0.2766 0.8089 0.126 Uiso 1 1 calc R . .
C4 C 0.5060(9) 0.2117(8) 0.8786(7) 0.095(4) Uani 1 1 d U . .
H4 H 0.5876 0.2165 0.8753 0.114 Uiso 1 1 calc R . .
C5 C 0.2641(12) 0.1938(9) 0.8870(9) 0.131(5) Uani 1 1 d U . .
H5 H 0.1825 0.1884 0.8903 0.157 Uiso 1 1 calc R . .
C6 C 0.4682(10) 0.1590(8) 0.9261(8) 0.106(4) Uani 1 1 d U . .
H6 H 0.5242 0.1299 0.9559 0.128 Uiso 1 1 calc R . .
C7 C 0.3496(11) 0.1488(9) 0.9299(9) 0.118(4) Uani 1 1 d U . .
C8 C 0.1852(12) 0.0685(9) 0.9710(9) 0.115(4) Uani 1 1 d U . .
H8A H 0.1441 0.0587 0.9213 0.138 Uiso 1 1 calc R . .
H8B H 0.1489 0.1122 0.9915 0.138 Uiso 1 1 calc R . .
C9 C 0.1755(10) -0.0078(7) 1.0126(6) 0.075(3) Uani 1 1 d U . .
C10 C 0.1091(11) -0.0806(8) 0.9819(7) 0.086(3) Uani 1 1 d U . .
H10 H 0.0721 -0.0815 0.9336 0.104 Uiso 1 1 calc R . .
C11 C 0.0964(13) -0.1490(8) 1.0188(8) 0.095(4) Uani 1 1 d U . .
H11 H 0.0512 -0.1956 0.9959 0.114 Uiso 1 1 calc R . .
C12 C 0.1458(14) -0.1502(8) 1.0849(8) 0.110(4) Uani 1 1 d U . .
H12 H 0.1400 -0.1988 1.1092 0.132 Uiso 1 1 calc R . .
C13 C 0.2115(14) -0.0771(8) 1.1234(7) 0.103(4) Uani 1 1 d U . .
H13 H 0.2433 -0.0768 1.1725 0.124 Uiso 1 1 calc R . .
C14 C 0.2243(11) -0.0079(6) 1.0835(7) 0.084(3) Uani 1 1 d U . .
C15 C 0.3029(13) 0.0662(7) 1.1230(9) 0.112(4) Uani 1 1 d U . .
H15A H 0.3342 0.0534 1.1725 0.134 Uiso 1 1 calc R . .
H15B H 0.3712 0.0807 1.1002 0.134 Uiso 1 1 calc R . .
C16 C 0.2918(12) 0.2055(7) 1.1488(9) 0.112(4) Uani 1 1 d U . .
C17 C 0.2229(10) 0.2723(6) 1.1331(7) 0.083(3) Uani 1 1 d U . .
H17 H 0.1473 0.2666 1.1021 0.100 Uiso 1 1 calc R . .
C18 C 0.2714(10) 0.3464(6) 1.1653(6) 0.076(3) Uani 1 1 d U . .
H18 H 0.2239 0.3902 1.1586 0.091 Uiso 1 1 calc R . .
C19 C 0.3996(15) 0.2122(8) 1.1936(11) 0.149(6) Uani 1 1 d U . .
H19 H 0.4412 0.1664 1.2063 0.178 Uiso 1 1 calc R . .
C20 C 0.4500(13) 0.2932(7) 1.2221(10) 0.129(5) Uani 1 1 d U . .
H20 H 0.5272 0.3000 1.2513 0.154 Uiso 1 1 calc R . .
C21 C 0.3858(8) 0.3594(6) 1.2066(6) 0.073(3) Uani 1 1 d U . .
C22 C 0.4358(9) 0.4394(6) 1.2377(6) 0.069(3) Uani 1 1 d U . .
C23 C 0.6233(9) 0.3786(7) 0.6149(5) 0.067(2) Uani 1 1 d U . .
C24 C 0.6387(13) 0.3319(8) 0.5506(6) 0.092(3) Uani 1 1 d U . .
C25 C 0.7363(15) 0.2897(9) 0.5516(7) 0.114(4) Uani 1 1 d U . .
H25 H 0.8019 0.2946 0.5902 0.137 Uiso 1 1 calc R . .
C26 C 0.5565(18) 0.3325(10) 0.4900(7) 0.132(5) Uani 1 1 d U . .
H26 H 0.4942 0.3664 0.4879 0.158 Uiso 1 1 calc R . .
C27 C 0.7346(18) 0.2331(11) 0.4860(9) 0.137(5) Uani 1 1 d U . .
H27 H 0.7984 0.2008 0.4863 0.165 Uiso 1 1 calc R . .
C28 C 0.559(2) 0.2819(13) 0.4261(11) 0.182(7) Uani 1 1 d U . .
H28 H 0.5025 0.2873 0.3841 0.218 Uiso 1 1 calc R . .
C29 C 0.641(2) 0.2295(12) 0.4269(8) 0.152(6) Uani 1 1 d DU . .
C30 C 0.721(2) 0.1382(15) 0.3630(10) 0.176(7) Uani 1 1 d DU . .
H30A H 0.7943 0.1758 0.3741 0.211 Uiso 1 1 calc R . .
H30B H 0.7291 0.0920 0.3944 0.211 Uiso 1 1 calc R . .
C31 C 0.698(2) 0.1324(12) 0.2306(10) 0.146(5) Uani 1 1 d DU . .
C32 C 0.691(2) 0.1139(17) 0.2905(10) 0.187(7) Uani 1 1 d DU . .
C33 C 0.648(3) 0.028(2) 0.2786(15) 0.229(9) Uani 1 1 d U . .
H33 H 0.6489 -0.0038 0.3187 0.274 Uiso 1 1 calc R . .
C34 C 0.605(3) -0.010(2) 0.2111(16) 0.251(10) Uani 1 1 d U . .
H34 H 0.5637 -0.0619 0.2085 0.302 Uiso 1 1 calc R . .
C35 C 0.620(3) 0.0254(19) 0.1502(16) 0.223(9) Uani 1 1 d U . .
H35 H 0.5983 -0.0024 0.1059 0.268 Uiso 1 1 calc R . .
C36 C 0.669(3) 0.1067(18) 0.1578(13) 0.202(8) Uani 1 1 d U . .
H36 H 0.6822 0.1395 0.1200 0.242 Uiso 1 1 calc R . .
C37 C 0.797(2) 0.1962(15) 0.2294(15) 0.238(9) Uani 1 1 d DU . .
H37A H 0.8327 0.2166 0.2778 0.286 Uiso 1 1 calc R . .
H37B H 0.8601 0.1742 0.2087 0.286 Uiso 1 1 calc R . .
C38 C 0.779(2) 0.2948(10) 0.1240(10) 0.132(5) Uani 1 1 d U . .
C39 C 0.6849(16) 0.2990(10) 0.0654(10) 0.123(5) Uani 1 1 d U . .
H39 H 0.6063 0.2770 0.0662 0.148 Uiso 1 1 calc R . .
C40 C 0.8963(16) 0.3265(8) 0.1221(6) 0.100(4) Uani 1 1 d U . .
H40 H 0.9579 0.3252 0.1626 0.120 Uiso 1 1 calc R . .
C41 C 0.9212(11) 0.3589(7) 0.0615(5) 0.076(3) Uani 1 1 d U . .
H41 H 1.0008 0.3770 0.0592 0.091 Uiso 1 1 calc R . .
C42 C 0.7113(11) 0.3357(8) 0.0079(7) 0.087(3) Uani 1 1 d U . .
H42 H 0.6476 0.3416 -0.0307 0.104 Uiso 1 1 calc R . .
C43 C 0.8264(10) 0.3655(6) 0.0015(5) 0.065(2) Uani 1 1 d U . .
C44 C 0.8544(8) 0.3950(6) -0.0670(5) 0.057(2) Uani 1 1 d U . .
C45 C 0.9498(9) -0.4766(6) 0.7448(6) 0.064(2) Uani 1 1 d U . .
C52 C 0.9150(19) -0.1430(15) 0.5483(12) 0.203(8) Uani 1 1 d DU . .
H52A H 0.9711 -0.1023 0.5326 0.244 Uiso 1 1 calc R . .
H52B H 0.9034 -0.1273 0.5957 0.244 Uiso 1 1 calc R . .
C59 C 0.720(2) -0.0443(13) 0.5562(11) 0.192(8) Uani 1 1 d DU . .
H59A H 0.6486 -0.0142 0.5472 0.230 Uiso 1 1 calc R . .
H59B H 0.7193 -0.0734 0.6002 0.230 Uiso 1 1 calc R . .
C60 C 0.824(3) 0.0721(11) 0.6237(10) 0.144(6) Uani 1 1 d DU . .
C61 C 0.933(2) 0.1005(12) 0.6362(10) 0.161(6) Uani 1 1 d U . .
H61 H 0.9908 0.0765 0.6162 0.193 Uiso 1 1 calc R . .
C62 C 0.965(2) 0.1724(10) 0.6832(9) 0.146(5) Uani 1 1 d U . .
H62 H 1.0448 0.1958 0.6901 0.175 Uiso 1 1 calc R . .
C63 C 0.8936(13) 0.2066(7) 0.7162(5) 0.080(3) Uani 1 1 d U . .
C64 C 0.7755(17) 0.1698(9) 0.6993(7) 0.125(5) Uani 1 1 d U . .
H64 H 0.7179 0.1933 0.7199 0.150 Uiso 1 1 calc R . .
C65 C 0.734(2) 0.0994(11) 0.6535(9) 0.146(6) Uani 1 1 d U . .
H65 H 0.6546 0.0750 0.6448 0.176 Uiso 1 1 calc R . .
C66 C 0.9246(8) 0.2807(6) 0.7618(4) 0.052(2) Uani 1 1 d U . .
C67 C 1.2359(9) 0.4294(7) 0.9680(5) 0.080(3) Uani 1 1 d U . .
H67 H 1.1767 0.4036 0.9900 0.096 Uiso 1 1 calc R . .
C68 C 1.2925(9) 0.4779(10) 0.8692(6) 0.105(4) Uani 1 1 d U . .
H68 H 1.2746 0.4912 0.8211 0.127 Uiso 1 1 calc R . .
C69 C 1.3453(9) 0.4546(8) 1.0090(6) 0.081(3) Uani 1 1 d U . .
H69 H 1.3579 0.4500 1.0586 0.097 Uiso 1 1 calc R . .
C70 C 1.4071(10) 0.4995(10) 0.9085(6) 0.104(4) Uani 1 1 d U . .
H70 H 1.4654 0.5242 0.8852 0.125 Uiso 1 1 calc R . .
C71 C 1.4385(7) 0.4870(6) 0.9777(5) 0.056(2) Uani 1 1 d U . .
C72 C 0.0570(7) 0.4871(5) 0.5220(4) 0.0416(18) Uani 1 1 d U . .
C73 C 0.0572(9) 0.4408(7) 0.5815(6) 0.075(3) Uani 1 1 d U . .
H73 H -0.0168 0.4186 0.5908 0.090 Uiso 1 1 calc R . .
C74 C 0.1655(8) 0.5047(8) 0.5064(6) 0.078(3) Uani 1 1 d U . .
H74 H 0.1716 0.5327 0.4649 0.094 Uiso 1 1 calc R . .
C75 C 0.1601(9) 0.4264(8) 0.6269(6) 0.081(3) Uani 1 1 d U . .
H75 H 0.1547 0.4007 0.6696 0.097 Uiso 1 1 calc R . .
C76 C 0.2715(9) 0.4822(8) 0.5509(6) 0.088(4) Uani 1 1 d U . .
H76 H 0.3452 0.4920 0.5360 0.105 Uiso 1 1 calc R . .
N1 N 1.2085(6) 0.4397(5) 0.8971(4) 0.062(2) Uani 1 1 d . . .
N2 N 0.2711(6) 0.4478(4) 0.6128(4) 0.0515(17) Uani 1 1 d . . .
O1 O 0.5791(5) 0.3187(4) 0.7781(4) 0.0598(16) Uani 1 1 d U . .
O2 O 0.3898(5) 0.3579(4) 0.7472(4) 0.0684(18) Uani 1 1 d U . .
O3 O 0.3160(8) 0.0902(7) 0.9760(6) 0.140(4) Uani 1 1 d U . .
O4 O 0.2311(8) 0.1312(5) 1.1205(6) 0.119(3) Uani 1 1 d U . .
O5 O 0.5346(7) 0.4459(4) 1.2815(5) 0.086(2) Uani 1 1 d U . .
O6 O 0.3876(7) 0.5034(4) 1.2185(4) 0.079(2) Uani 1 1 d U . .
O7 O 0.7066(6) 0.3895(5) 0.6682(4) 0.083(2) Uani 1 1 d U . .
O8 O 0.5197(6) 0.4080(4) 0.6098(3) 0.0672(17) Uani 1 1 d U . .
O9 O 0.6162(15) 0.1768(10) 0.3646(7) 0.186(5) Uani 1 1 d DU . .
O10 O 0.7492(18) 0.2577(9) 0.1888(9) 0.210(6) Uani 1 1 d DU . .
O11 O 0.7611(6) 0.4093(5) -0.1157(3) 0.075(2) Uani 1 1 d U . .
O12 O 0.9611(6) 0.4052(4) -0.0741(3) 0.0651(17) Uani 1 1 d U . .
O13 O 0.8713(9) -0.5052(5) 0.7744(6) 0.121(3) Uani 1 1 d U . .
O14 O 1.0533(8) -0.4991(6) 0.7624(4) 0.093(2) Uani 1 1 d U . .
O15 O 0.9558(18) -0.2251(10) 0.5467(9) 0.227(6) Uani 1 1 d DU . .
O16 O 0.8189(16) 0.0105(10) 0.5679(9) 0.200(6) Uani 1 1 d DU . .
O17 O 0.8411(6) 0.3093(4) 0.7824(4) 0.074(2) Uani 1 1 d U . .
O18 O 1.0312(6) 0.3131(5) 0.7810(4) 0.089(2) Uani 1 1 d U . .
Zn1 Zn 1.03145(8) 0.41531(7) 0.84002(5) 0.0564(4) Uani 1 1 d . . .
Zn2 Zn 0.72473(7) 0.40248(6) 0.77638(5) 0.0434(3) Uani 1 1 d . . .
Zn3 Zn 0.43448(8) 0.43928(6) 0.68257(5) 0.0479(3) 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
C47 C46 C48 120.0 . .
C47 C46 C45 122.4(7) . .
C48 C46 C45 117.4(7) . .
C49 C47 C46 120.0 . .
C49 C47 H47 120.0 . .
C46 C47 H47 120.0 . .
C47 C49 C51 120.0 . .
C47 C49 H49 120.0 . .
C51 C49 H49 120.0 . .
C50 C51 C49 120.0 . .
C50 C51 O15 102.9(11) . .
C49 C51 O15 136.9(11) . .
C48 C50 C51 120.0 . .
C48 C50 H50 120.0 . .
C51 C50 H50 120.0 . .
C50 C48 C46 120.0 . .
C50 C48 H48 120.0 . .
C46 C48 H48 120.0 . .
C54 C53 C58 120.0 . .
C54 C53 C59 120.6(16) . .
C58 C53 C59 119.4(16) . .
C53 C54 C55 120.0 . .
C53 C54 C52 120.4(15) . .
C55 C54 C52 119.5(15) . .
C56 C55 C54 120.0 . .
C56 C55 H55 120.0 . .
C54 C55 H55 120.0 . .
C55 C56 C57 120.0 . .
C55 C56 H56 120.0 . .
C57 C56 H56 120.0 . .
C58 C57 C56 120.0 . .
C58 C57 H57 120.0 . .
C56 C57 H57 120.0 . .
C57 C58 C53 120.0 . .
C57 C58 H58 120.0 . .
C53 C58 H58 120.0 . .
O1 C1 O2 123.3(9) . .
O1 C1 C2 119.9(8) . .
O2 C1 C2 116.7(8) . .
C3 C2 C4 116.9(9) . .
C3 C2 C1 122.4(9) . .
C4 C2 C1 120.7(9) . .
C2 C3 C5 123.2(10) . .
C2 C3 H3 118.4 . .
C5 C3 H3 118.4 . .
C6 C4 C2 122.0(10) . .
C6 C4 H4 119.0 . .
C2 C4 H4 119.0 . .
C7 C5 C3 116.9(11) . .
C7 C5 H5 121.6 . .
C3 C5 H5 121.6 . .
C7 C6 C4 120.1(11) . .
C7 C6 H6 120.0 . .
C4 C6 H6 120.0 . .
C6 C7 O3 117.1(10) . .
C6 C7 C5 120.9(11) . .
O3 C7 C5 122.0(11) . .
O3 C8 C9 105.7(10) . .
O3 C8 H8A 110.6 . .
C9 C8 H8A 110.6 . .
O3 C8 H8B 110.6 . .
C9 C8 H8B 110.6 . .
H8A C8 H8B 108.7 . .
C14 C9 C10 116.6(10) . .
C14 C9 C8 120.8(13) . .
C10 C9 C8 122.5(12) . .
C11 C10 C9 123.5(12) . .
C11 C10 H10 118.3 . .
C9 C10 H10 118.3 . .
C12 C11 C10 120.1(13) . .
C12 C11 H11 119.9 . .
C10 C11 H11 119.9 . .
C11 C12 C13 121.3(12) . .
C11 C12 H12 119.3 . .
C13 C12 H12 119.3 . .
C14 C13 C12 116.9(13) . .
C14 C13 H13 121.5 . .
C12 C13 H13 121.5 . .
C9 C14 C13 121.5(11) . .
C9 C14 C15 122.0(12) . .
C13 C14 C15 116.5(13) . .
O4 C15 C14 108.3(11) . .
O4 C15 H15A 110.0 . .
C14 C15 H15A 110.0 . .
O4 C15 H15B 110.0 . .
C14 C15 H15B 110.0 . .
H15A C15 H15B 108.4 . .
C19 C16 O4 123.6(12) . .
C19 C16 C17 122.3(11) . .
O4 C16 C17 113.7(10) . .
C18 C17 C16 117.2(10) . .
C18 C17 H17 121.4 . .
C16 C17 H17 121.4 . .
C21 C18 C17 123.7(10) . .
C21 C18 H18 118.1 . .
C17 C18 H18 118.1 . .
C16 C19 C20 117.9(12) . .
C16 C19 H19 121.0 . .
C20 C19 H19 121.0 . .
C21 C20 C19 120.9(12) . .
C21 C20 H20 119.6 . .
C19 C20 H20 119.6 . .
C20 C21 C18 117.6(10) . .
C20 C21 C22 120.1(10) . .
C18 C21 C22 122.2(9) . .
O5 C22 O6 118.2(9) . .
O5 C22 C21 119.3(9) . .
O6 C22 C21 122.3(10) . .
O7 C23 O8 123.6(10) . .
O7 C23 C24 121.0(9) . .
O8 C23 C24 115.3(10) . .
C26 C24 C25 118.8(13) . .
C26 C24 C23 119.8(11) . .
C25 C24 C23 121.4(12) . .
C24 C25 C27 117.2(15) . .
C24 C25 H25 121.4 . .
C27 C25 H25 121.4 . .
C24 C26 C28 123.0(15) . .
C24 C26 H26 118.5 . .
C28 C26 H26 118.5 . .
C29 C27 C25 121.3(15) . .
C29 C27 H27 119.3 . .
C25 C27 H27 119.3 . .
C29 C28 C26 121.4(18) . .
C29 C28 H28 119.3 . .
C26 C28 H28 119.3 . .
C28 C29 C27 117.0(17) . .
C28 C29 O9 112.9(17) . .
C27 C29 O9 130.1(16) . .
C32 C30 O9 97(2) . .
C32 C30 H30A 112.4 . .
O9 C30 H30A 112.4 . .
C32 C30 H30B 112.4 . .
O9 C30 H30B 112.4 . .
H30A C30 H30B 110.0 . .
C32 C31 C36 145(3) . .
C32 C31 C37 112(2) . .
C36 C31 C37 100(2) . .
C31 C32 C30 146(3) . .
C31 C32 C33 100(2) . .
C30 C32 C33 113(2) . .
C34 C33 C32 124(3) . .
C34 C33 H33 117.8 . .
C32 C33 H33 117.8 . .
C35 C34 C33 123(3) . .
C35 C34 H34 118.6 . .
C33 C34 H34 118.6 . .
C34 C35 C36 115(3) . .
C34 C35 H35 122.4 . .
C36 C35 H35 122.4 . .
C35 C36 C31 111(3) . .
C35 C36 H36 124.7 . .
C31 C36 H36 124.7 . .
O10 C37 C31 107(2) . .
O10 C37 H37A 110.2 . .
C31 C37 H37A 110.2 . .
O10 C37 H37B 110.2 . .
C31 C37 H37B 110.2 . .
H37A C37 H37B 108.5 . .
C39 C38 C40 121.0(15) . .
C39 C38 O10 118(2) . .
C40 C38 O10 121.1(19) . .
C42 C39 C38 117.5(16) . .
C42 C39 H39 121.2 . .
C38 C39 H39 121.2 . .
C41 C40 C38 119.9(14) . .
C41 C40 H40 120.1 . .
C38 C40 H40 120.1 . .
C40 C41 C43 120.0(13) . .
C40 C41 H41 120.0 . .
C43 C41 H41 120.0 . .
C39 C42 C43 124.3(14) . .
C39 C42 H42 117.9 . .
C43 C42 H42 117.9 . .
C42 C43 C41 117.1(11) . .
C42 C43 C44 122.4(10) . .
C41 C43 C44 120.2(10) . .
O12 C44 O11 124.9(9) . .
O12 C44 C43 119.7(8) . .
O11 C44 C43 115.4(8) . .
O13 C45 O14 118.7(11) . .
O13 C45 C46 126.0(11) . .
O14 C45 C46 115.4(9) . .
O15 C52 C54 100.1(18) . .
O15 C52 H52A 111.7 . .
C54 C52 H52A 111.7 . .
O15 C52 H52B 111.7 . .
C54 C52 H52B 111.7 . .
H52A C52 H52B 109.5 . .
O16 C59 C53 117.7(18) . .
O16 C59 H59A 107.9 . .
C53 C59 H59A 107.9 . .
O16 C59 H59B 107.9 . .
C53 C59 H59B 107.9 . .
H59A C59 H59B 107.2 . .
C61 C60 C65 126(2) . .
C61 C60 O16 103(2) . .
C65 C60 O16 131(2) . .
C60 C61 C62 117(2) . .
C60 C61 H61 121.6 . .
C62 C61 H61 121.6 . .
C63 C62 C61 126(2) . .
C63 C62 H62 117.1 . .
C61 C62 H62 117.1 . .
C62 C63 C64 112.5(15) . .
C62 C63 C66 126.0(15) . .
C64 C63 C66 121.3(12) . .
C63 C64 C65 126.2(19) . .
C63 C64 H64 116.9 . .
C65 C64 H64 116.9 . .
C60 C65 C64 112.2(19) . .
C60 C65 H65 123.9 . .
C64 C65 H65 123.9 . .
O17 C66 O18 120.6(9) . .
O17 C66 C63 116.5(10) . .
O18 C66 C63 122.8(9) . .
N1 C67 C69 123.0(10) . .
N1 C67 H67 118.5 . .
C69 C67 H67 118.5 . .
N1 C68 C70 121.9(11) . .
N1 C68 H68 119.0 . .
C70 C68 H68 119.0 . .
C67 C69 C71 120.3(10) . .
C67 C69 H69 119.9 . .
C71 C69 H69 119.9 . .
C71 C70 C68 123.0(11) . .
C71 C70 H70 118.5 . .
C68 C70 H70 118.5 . .
C70 C71 C69 114.9(9) . .
C70 C71 C71 123.9(11) . 2_867
C69 C71 C71 121.0(11) . 2_867
C74 C72 C73 114.5(8) . .
C74 C72 C72 123.3(10) . 2_566
C73 C72 C72 122.2(10) . 2_566
C75 C73 C72 122.5(9) . .
C75 C73 H73 118.8 . .
C72 C73 H73 118.8 . .
C72 C74 C76 121.6(9) . .
C72 C74 H74 119.2 . .
C76 C74 H74 119.2 . .
C73 C75 N2 122.3(9) . .
C73 C75 H75 118.8 . .
N2 C75 H75 118.8 . .
N2 C76 C74 122.6(9) . .
N2 C76 H76 118.7 . .
C74 C76 H76 118.7 . .
C68 N1 C67 116.3(9) . .
C68 N1 Zn1 121.9(7) . .
C67 N1 Zn1 120.8(7) . .
C76 N2 C75 115.4(8) . .
C76 N2 Zn3 118.8(6) . .
C75 N2 Zn3 125.6(6) . .
C1 O1 Zn2 140.4(6) . .
C1 O2 Zn3 121.7(6) . .
C7 O3 C8 117.2(9) . .
C16 O4 C15 115.4(10) . .
C22 O5 Zn3 107.4(6) . 2_667
C22 O6 Zn2 155.8(8) . 2_667
C23 O7 Zn2 137.8(7) . .
C23 O8 Zn3 131.0(6) . .
C30 O9 C29 107.6(15) . .
C37 O10 C38 132(2) . .
C44 O11 Zn2 133.7(6) . 1_554
C44 O12 Zn1 131.2(6) . 1_554
C45 O13 Zn2 148.7(8) . 1_545
C45 O13 Zn1 84.7(8) . 1_545
Zn2 O13 Zn1 95.3(4) 1_545 1_545
C45 O14 Zn1 102.4(7) . 1_545
C51 O15 C52 124.3(16) . .
C59 O16 C60 115.8(19) . .
C66 O17 Zn2 148.2(7) . .
C66 O18 Zn1 109.5(6) . .
O12 Zn1 O18 117.5(3) 1_556 .
O12 Zn1 N1 94.3(3) 1_556 .
O18 Zn1 N1 105.6(3) . .
O12 Zn1 O14 139.1(3) 1_556 1_565
O18 Zn1 O14 98.6(4) . 1_565
N1 Zn1 O14 93.8(3) . 1_565
O12 Zn1 O13 94.7(3) 1_556 1_565
O18 Zn1 O13 107.2(3) . 1_565
N1 Zn1 O13 136.8(3) . 1_565
O14 Zn1 O13 54.2(3) 1_565 1_565
O11 Zn2 O7 173.3(3) 1_556 .
O11 Zn2 O1 89.8(3) 1_556 .
O7 Zn2 O1 92.8(3) . .
O11 Zn2 O17 88.1(3) 1_556 .
O7 Zn2 O17 85.7(3) . .
O1 Zn2 O17 91.0(3) . .
O11 Zn2 O6 86.2(3) 1_556 2_667
O7 Zn2 O6 100.0(3) . 2_667
O1 Zn2 O6 89.1(3) . 2_667
O17 Zn2 O6 174.3(3) . 2_667
O11 Zn2 O13 90.2(4) 1_556 1_565
O7 Zn2 O13 87.4(4) . 1_565
O1 Zn2 O13 177.2(3) . 1_565
O17 Zn2 O13 91.7(3) . 1_565
O6 Zn2 O13 88.1(3) 2_667 1_565
O8 Zn3 O2 119.0(3) . .
O8 Zn3 O5 116.9(3) . 2_667
O2 Zn3 O5 117.6(3) . 2_667
O8 Zn3 N2 95.2(3) . .
O2 Zn3 N2 101.7(3) . .
O5 Zn3 N2 98.6(3) 2_667 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C46 C47 1.3900 .
C46 C48 1.3900 .
C46 C45 1.512(12) .
C47 C49 1.3900 .
C47 H47 0.9300 .
C49 C51 1.3900 .
C49 H49 0.9300 .
C51 C50 1.3900 .
C51 O15 1.399(14) .
C50 C48 1.3900 .
C50 H50 0.9300 .
C48 H48 0.9300 .
C53 C54 1.3900 .
C53 C58 1.3900 .
C53 C59 1.442(15) .
C54 C55 1.3900 .
C54 C52 1.465(16) .
C55 C56 1.3900 .
C55 H55 0.9300 .
C56 C57 1.3900 .
C56 H56 0.9300 .
C57 C58 1.3900 .
C57 H57 0.9300 .
C58 H58 0.9300 .
C1 O1 1.267(10) .
C1 O2 1.291(10) .
C1 C2 1.457(13) .
C2 C3 1.349(14) .
C2 C4 1.400(13) .
C3 C5 1.404(16) .
C3 H3 0.9300 .
C4 C6 1.362(16) .
C4 H4 0.9300 .
C5 C7 1.403(16) .
C5 H5 0.9300 .
C6 C7 1.349(16) .
C6 H6 0.9300 .
C7 O3 1.387(14) .
C8 O3 1.470(15) .
C8 C9 1.496(15) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 C14 1.350(16) .
C9 C10 1.406(16) .
C10 C11 1.343(17) .
C10 H10 0.9300 .
C11 C12 1.270(17) .
C11 H11 0.9300 .
C12 C13 1.459(17) .
C12 H12 0.9300 .
C13 C14 1.388(17) .
C13 H13 0.9300 .
C14 C15 1.531(17) .
C15 O4 1.390(13) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 C19 1.332(18) .
C16 O4 1.390(13) .
C16 C17 1.401(16) .
C17 C18 1.371(14) .
C17 H17 0.9300 .
C18 C21 1.366(14) .
C18 H18 0.9300 .
C19 C20 1.451(17) .
C19 H19 0.9300 .
C20 C21 1.362(15) .
C20 H20 0.9300 .
C21 C22 1.450(14) .
C22 O5 1.245(12) .
C22 O6 1.250(12) .
C23 O7 1.236(12) .
C23 O8 1.288(11) .
C23 C24 1.482(16) .
C24 C26 1.327(18) .
C24 C25 1.347(16) .
C25 C27 1.54(2) .
C25 H25 0.9300 .
C26 C28 1.47(2) .
C26 H26 0.9300 .
C27 C29 1.38(2) .
C27 H27 0.9300 .
C28 C29 1.31(2) .
C28 H28 0.9300 .
C29 O9 1.424(15) .
C30 C32 1.396(17) .
C30 O9 1.396(15) .
C30 H30A 0.9700 .
C30 H30B 0.9700 .
C31 C32 1.20(2) .
C31 C36 1.41(3) .
C31 C37 1.469(18) .
C32 C33 1.45(3) .
C33 C34 1.40(3) .
C33 H33 0.9300 .
C34 C35 1.33(3) .
C34 H34 0.9300 .
C35 C36 1.40(3) .
C35 H35 0.9300 .
C36 H36 0.9300 .
C37 O10 1.363(16) .
C37 H37A 0.9700 .
C37 H37B 0.9700 .
C38 C39 1.38(2) .
C38 C40 1.39(2) .
C38 O10 1.46(2) .
C39 C42 1.327(18) .
C39 H39 0.9300 .
C40 C41 1.343(16) .
C40 H40 0.9300 .
C41 C43 1.412(14) .
C41 H41 0.9300 .
C42 C43 1.374(15) .
C42 H42 0.9300 .
C43 C44 1.477(14) .
C44 O12 1.233(10) .
C44 O11 1.296(10) .
C45 O13 1.205(12) .
C45 O14 1.238(12) .
C52 O15 1.46(2) .
C52 H52A 0.9700 .
C52 H52B 0.9700 .
C59 O16 1.347(13) .
C59 H59A 0.9700 .
C59 H59B 0.9700 .
C60 C61 1.25(3) .
C60 C65 1.36(3) .
C60 O16 1.445(16) .
C61 C62 1.44(2) .
C61 H61 0.9300 .
C62 C63 1.275(19) .
C62 H62 0.9300 .
C63 C64 1.39(2) .
C63 C66 1.460(14) .
C64 C65 1.42(2) .
C64 H64 0.9300 .
C65 H65 0.9300 .
C66 O17 1.216(10) .
C66 O18 1.251(11) .
C67 N1 1.338(12) .
C67 C69 1.348(13) .
C67 H67 0.9300 .
C68 N1 1.293(14) .
C68 C70 1.371(14) .
C68 H68 0.9300 .
C69 C71 1.377(14) .
C69 H69 0.9300 .
C70 C71 1.317(14) .
C70 H70 0.9300 .
C71 C71 1.496(16) 2_867
C72 C74 1.324(12) .
C72 C73 1.371(12) .
C72 C72 1.485(14) 2_566
C73 C75 1.342(12) .
C73 H73 0.9300 .
C74 C76 1.402(13) .
C74 H74 0.9300 .
C75 N2 1.348(12) .
C75 H75 0.9300 .
C76 N2 1.312(12) .
C76 H76 0.9300 .
N1 Zn1 2.075(7) .
N2 Zn3 2.061(6) .
O1 Zn2 2.050(6) .
O2 Zn3 1.927(6) .
O5 Zn3 1.972(7) 2_667
O6 Zn2 2.095(6) 2_667
O7 Zn2 2.032(7) .
O8 Zn3 1.923(6) .
O11 Zn2 2.011(6) 1_554
O12 Zn1 1.955(7) 1_554
O13 Zn2 2.145(9) 1_545
O13 Zn1 2.466(12) 1_545
O14 Zn1 2.085(8) 1_545
O17 Zn2 2.090(6) .
O18 Zn1 2.004(8) .
Zn1 O12 1.955(7) 1_556
Zn1 O14 2.085(8) 1_565
Zn1 O13 2.466(12) 1_565
Zn2 O11 2.011(6) 1_556
Zn2 O6 2.095(6) 2_667
Zn2 O13 2.145(9) 1_565
Zn3 O5 1.972(7) 2_667
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
C48 C46 C47 C49 0.0 . . . .
C45 C46 C47 C49 174.4(8) . . . .
C46 C47 C49 C51 0.0 . . . .
C47 C49 C51 C50 0.0 . . . .
C47 C49 C51 O15 -172.9(16) . . . .
C49 C51 C50 C48 0.0 . . . .
O15 C51 C50 C48 175.1(11) . . . .
C51 C50 C48 C46 0.0 . . . .
C47 C46 C48 C50 0.0 . . . .
C45 C46 C48 C50 -174.7(8) . . . .
C58 C53 C54 C55 0.0 . . . .
C59 C53 C54 C55 177.4(17) . . . .
C58 C53 C54 C52 175(2) . . . .
C59 C53 C54 C52 -8(2) . . . .
C53 C54 C55 C56 0.0 . . . .
C52 C54 C55 C56 -175(2) . . . .
C54 C55 C56 C57 0.0 . . . .
C55 C56 C57 C58 0.0 . . . .
C56 C57 C58 C53 0.0 . . . .
C54 C53 C58 C57 0.0 . . . .
C59 C53 C58 C57 -177.4(17) . . . .
O1 C1 C2 C3 -173.7(12) . . . .
O2 C1 C2 C3 3.2(17) . . . .
O1 C1 C2 C4 4.4(17) . . . .
O2 C1 C2 C4 -178.7(11) . . . .
C4 C2 C3 C5 3(2) . . . .
C1 C2 C3 C5 -179.3(15) . . . .
C3 C2 C4 C6 -3(2) . . . .
C1 C2 C4 C6 179.2(13) . . . .
C2 C3 C5 C7 -2(3) . . . .
C2 C4 C6 C7 2(3) . . . .
C4 C6 C7 O3 175.8(16) . . . .
C4 C6 C7 C5 -2(3) . . . .
C3 C5 C7 C6 2(3) . . . .
C3 C5 C7 O3 -175.8(16) . . . .
O3 C8 C9 C14 61.5(17) . . . .
O3 C8 C9 C10 -122.9(14) . . . .
C14 C9 C10 C11 -2.3(19) . . . .
C8 C9 C10 C11 -178.0(12) . . . .
C9 C10 C11 C12 0(2) . . . .
C10 C11 C12 C13 3(2) . . . .
C11 C12 C13 C14 -4(2) . . . .
C10 C9 C14 C13 1.3(19) . . . .
C8 C9 C14 C13 177.1(12) . . . .
C10 C9 C14 C15 177.6(11) . . . .
C8 C9 C14 C15 -6.7(18) . . . .
C12 C13 C14 C9 2(2) . . . .
C12 C13 C14 C15 -174.8(13) . . . .
C9 C14 C15 O4 63.7(18) . . . .
C13 C14 C15 O4 -119.9(14) . . . .
C19 C16 C17 C18 1(3) . . . .
O4 C16 C17 C18 173.4(13) . . . .
C16 C17 C18 C21 5(2) . . . .
O4 C16 C19 C20 -176.9(17) . . . .
C17 C16 C19 C20 -5(3) . . . .
C16 C19 C20 C21 4(3) . . . .
C19 C20 C21 C18 2(3) . . . .
C19 C20 C21 C22 177.6(16) . . . .
C17 C18 C21 C20 -7(2) . . . .
C17 C18 C21 C22 177.8(12) . . . .
C20 C21 C22 O5 -3.7(19) . . . .
C18 C21 C22 O5 171.8(12) . . . .
C20 C21 C22 O6 171.1(14) . . . .
C18 C21 C22 O6 -13.4(18) . . . .
O7 C23 C24 C26 -168.8(14) . . . .
O8 C23 C24 C26 9.4(19) . . . .
O7 C23 C24 C25 9.8(19) . . . .
O8 C23 C24 C25 -171.9(13) . . . .
C26 C24 C25 C27 -10(2) . . . .
C23 C24 C25 C27 171.2(13) . . . .
C25 C24 C26 C28 7(3) . . . .
C23 C24 C26 C28 -174.3(17) . . . .
C24 C25 C27 C29 4(3) . . . .
C24 C26 C28 C29 4(4) . . . .
C26 C28 C29 C27 -10(4) . . . .
C26 C28 C29 O9 170(2) . . . .
C25 C27 C29 C28 7(3) . . . .
C25 C27 C29 O9 -173.7(19) . . . .
C36 C31 C32 C30 178(4) . . . .
C37 C31 C32 C30 21(6) . . . .
C36 C31 C32 C33 10(6) . . . .
C37 C31 C32 C33 -147(2) . . . .
O9 C30 C32 C31 90(5) . . . .
O9 C30 C32 C33 -103(3) . . . .
C31 C32 C33 C34 -12(5) . . . .
C30 C32 C33 C34 176(3) . . . .
C32 C33 C34 C35 13(6) . . . .
C33 C34 C35 C36 -7(6) . . . .
C34 C35 C36 C31 2(4) . . . .
C32 C31 C36 C35 -6(6) . . . .
C37 C31 C36 C35 153(3) . . . .
C32 C31 C37 O10 -127(3) . . . .
C36 C31 C37 O10 66(3) . . . .
C40 C38 C39 C42 -1(2) . . . .
O10 C38 C39 C42 177.3(14) . . . .
C39 C38 C40 C41 -3(2) . . . .
O10 C38 C40 C41 178.9(12) . . . .
C38 C40 C41 C43 4.0(18) . . . .
C38 C39 C42 C43 4(2) . . . .
C39 C42 C43 C41 -2.4(19) . . . .
C39 C42 C43 C44 170.9(13) . . . .
C40 C41 C43 C42 -1.6(15) . . . .
C40 C41 C43 C44 -175.1(10) . . . .
C42 C43 C44 O12 -165.2(10) . . . .
C41 C43 C44 O12 8.0(14) . . . .
C42 C43 C44 O11 15.7(14) . . . .
C41 C43 C44 O11 -171.1(9) . . . .
C47 C46 C45 O13 2.6(14) . . . .
C48 C46 C45 O13 177.1(9) . . . .
C47 C46 C45 O14 -177.2(8) . . . .
C48 C46 C45 O14 -2.6(12) . . . .
C53 C54 C52 O15 157.3(13) . . . .
C55 C54 C52 O15 -28(2) . . . .
C54 C53 C59 O16 57(3) . . . .
C58 C53 C59 O16 -126(2) . . . .
C65 C60 C61 C62 -4(4) . . . .
O16 C60 C61 C62 171.5(16) . . . .
C60 C61 C62 C63 4(3) . . . .
C61 C62 C63 C64 -3(2) . . . .
C61 C62 C63 C66 -177.9(15) . . . .
C62 C63 C64 C65 3(2) . . . .
C66 C63 C64 C65 177.6(13) . . . .
C61 C60 C65 C64 4(3) . . . .
O16 C60 C65 C64 -170.8(18) . . . .
C63 C64 C65 C60 -3(2) . . . .
C62 C63 C66 O17 172.2(13) . . . .
C64 C63 C66 O17 -1.9(15) . . . .
C62 C63 C66 O18 -9.6(18) . . . .
C64 C63 C66 O18 176.3(11) . . . .
N1 C67 C69 C71 -5.3(19) . . . .
N1 C68 C70 C71 -4(3) . . . .
C68 C70 C71 C69 -4(2) . . . .
C68 C70 C71 C71 -177.4(14) . . . 2_867
C67 C69 C71 C70 7.7(18) . . . .
C67 C69 C71 C71 -178.3(12) . . . 2_867
C74 C72 C73 C75 10.7(16) . . . .
C72 C72 C73 C75 -170.9(11) 2_566 . . .
C73 C72 C74 C76 -4.3(17) . . . .
C72 C72 C74 C76 177.2(12) 2_566 . . .
C72 C73 C75 N2 -8.2(19) . . . .
C72 C74 C76 N2 -5(2) . . . .
C70 C68 N1 C67 6(2) . . . .
C70 C68 N1 Zn1 175.0(11) . . . .
C69 C67 N1 C68 -1.9(18) . . . .
C69 C67 N1 Zn1 -170.8(10) . . . .
C74 C76 N2 C75 7.7(18) . . . .
C74 C76 N2 Zn3 -167.5(10) . . . .
C73 C75 N2 C76 -1.4(17) . . . .
C73 C75 N2 Zn3 173.5(9) . . . .
O2 C1 O1 Zn2 51.5(15) . . . .
C2 C1 O1 Zn2 -131.8(9) . . . .
O1 C1 O2 Zn3 -6.3(13) . . . .
C2 C1 O2 Zn3 176.9(7) . . . .
C6 C7 O3 C8 -169.5(16) . . . .
C5 C7 O3 C8 8(3) . . . .
C9 C8 O3 C7 167.0(14) . . . .
C19 C16 O4 C15 -19(3) . . . .
C17 C16 O4 C15 168.3(14) . . . .
C14 C15 O4 C16 -174.7(14) . . . .
O6 C22 O5 Zn3 9.5(13) . . . 2_667
C21 C22 O5 Zn3 -175.5(9) . . . 2_667
O5 C22 O6 Zn2 -90.5(19) . . . 2_667
C21 C22 O6 Zn2 95(2) . . . 2_667
O8 C23 O7 Zn2 33.4(17) . . . .
C24 C23 O7 Zn2 -148.5(9) . . . .
O7 C23 O8 Zn3 -25.2(15) . . . .
C24 C23 O8 Zn3 156.6(8) . . . .
C32 C30 O9 C29 -161.8(19) . . . .
C28 C29 O9 C30 166(2) . . . .
C27 C29 O9 C30 -14(3) . . . .
C31 C37 O10 C38 -122(3) . . . .
C39 C38 O10 C37 127(3) . . . .
C40 C38 O10 C37 -55(3) . . . .
O12 C44 O11 Zn2 31.9(15) . . . 1_554
C43 C44 O11 Zn2 -149.0(7) . . . 1_554
O11 C44 O12 Zn1 -18.9(15) . . . 1_554
C43 C44 O12 Zn1 162.1(6) . . . 1_554
O14 C45 O13 Zn2 -92(2) . . . 1_545
C46 C45 O13 Zn2 87.8(19) . . . 1_545
O14 C45 O13 Zn1 -1.0(10) . . . 1_545
C46 C45 O13 Zn1 179.2(9) . . . 1_545
O13 C45 O14 Zn1 1.2(12) . . . 1_545
C46 C45 O14 Zn1 -179.0(6) . . . 1_545
C50 C51 O15 C52 -136.7(17) . . . .
C49 C51 O15 C52 37(3) . . . .
C54 C52 O15 C51 -86(2) . . . .
C53 C59 O16 C60 176.7(18) . . . .
C61 C60 O16 C59 164(2) . . . .
C65 C60 O16 C59 -21(3) . . . .
O18 C66 O17 Zn2 73.2(15) . . . .
C63 C66 O17 Zn2 -108.5(13) . . . .
O17 C66 O18 Zn1 -3.9(12) . . . .
C63 C66 O18 Zn1 178.0(7) . . . .
C66 O18 Zn1 O12 57.0(8) . . . 1_556
C66 O18 Zn1 N1 160.5(7) . . . .
C66 O18 Zn1 O14 -103.1(7) . . . 1_565
C66 O18 Zn1 O13 -48.0(8) . . . 1_565
C68 N1 Zn1 O12 -156.9(10) . . . 1_556
C67 N1 Zn1 O12 11.4(9) . . . 1_556
C68 N1 Zn1 O18 83.0(11) . . . .
C67 N1 Zn1 O18 -108.8(9) . . . .
C68 N1 Zn1 O14 -17.0(11) . . . 1_565
C67 N1 Zn1 O14 151.3(9) . . . 1_565
C68 N1 Zn1 O13 -55.3(12) . . . 1_565
C67 N1 Zn1 O13 113.0(8) . . . 1_565
C23 O7 Zn2 O11 150(3) . . . 1_556
C23 O7 Zn2 O1 36.9(11) . . . .
C23 O7 Zn2 O17 127.7(11) . . . .
C23 O7 Zn2 O6 -52.7(11) . . . 2_667
C23 O7 Zn2 O13 -140.3(11) . . . 1_565
C1 O1 Zn2 O11 80.9(10) . . . 1_556
C1 O1 Zn2 O7 -105.3(10) . . . .
C1 O1 Zn2 O17 169.0(10) . . . .
C1 O1 Zn2 O6 -5.3(10) . . . 2_667
C1 O1 Zn2 O13 -10(7) . . . 1_565
C66 O17 Zn2 O11 -132.7(13) . . . 1_556
C66 O17 Zn2 O7 44.8(13) . . . .
C66 O17 Zn2 O1 137.5(13) . . . .
C66 O17 Zn2 O6 -131(3) . . . 2_667
C66 O17 Zn2 O13 -42.5(13) . . . 1_565
C23 O8 Zn3 O2 -60.3(10) . . . .
C23 O8 Zn3 O5 90.8(9) . . . 2_667
C23 O8 Zn3 N2 -166.8(9) . . . .
C1 O2 Zn3 O8 55.0(8) . . . .
C1 O2 Zn3 O5 -95.9(8) . . . 2_667
C1 O2 Zn3 N2 157.8(7) . . . .
C76 N2 Zn3 O8 -42.1(9) . . . .
C75 N2 Zn3 O8 143.2(9) . . . .
C76 N2 Zn3 O2 -163.1(9) . . . .
C75 N2 Zn3 O2 22.2(9) . . . .
C76 N2 Zn3 O5 76.2(9) . . . 2_667
C75 N2 Zn3 O5 -98.5(9) . . . 2_667
