# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_zj210313_sq
_audit_block_doi                 10.5517/ccdc.csd.cc28mmg0
_database_code_depnum_ccdc_archive 'CCDC 2104232'
loop_
_audit_author_name
_audit_author_address
'Weihua Tang'
;Nanjing University of Science and Technology
China
;
_audit_update_record             
;
2021-08-19 deposited with the CCDC.	2021-09-07 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C51 H30 N2 O9 Zn2 [+ solvent]'
_chemical_formula_sum            'C51 H30 N2 O9 Zn2 [+ solvent]'
_chemical_formula_weight         945.51

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'

_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_H-M_alt        'P 1'
_space_group_name_Hall           'P 1'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'

_cell_length_a                   15.147(3)
_cell_length_b                   15.168(3)
_cell_length_c                   22.006(5)
_cell_angle_alpha                106.792(6)
_cell_angle_beta                 103.569(6)
_cell_angle_gamma                101.715(6)
_cell_volume                     4501.5(17)
_cell_formula_units_Z            3
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9808
_cell_measurement_theta_min      2.38
_cell_measurement_theta_max      26.51

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.046
_exptl_crystal_F_000             1446
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.160
_exptl_absorpt_coefficient_mu    0.844
_shelx_estimated_absorpt_T_min   0.836
_shelx_estimated_absorpt_T_max   0.877
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6043
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_source.type              microfocus
_diffrn_radiation_type           MoK\a
_diffrn_source.source            'Ius 2.0'
_diffrn_measurement_device_type  'Bruker D8 QUEST PHOTON 100'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 10.42
_diffrn_reflns_number            51906
_diffrn_reflns_av_unetI/netI     0.0950
_diffrn_reflns_av_R_equivalents  0.0538
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         2.045
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_full        24.999
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measured_fraction_theta_full 0.985
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_Laue_measured_fraction_full 0.985
_diffrn_reflns_point_group_measured_fraction_max 0.908
_diffrn_reflns_point_group_measured_fraction_full 0.908
_reflns_number_total             28717
_reflns_number_gt                20479
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.843
_reflns_Friedel_fraction_max     0.830
_reflns_Friedel_fraction_full    0.830

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;

_computing_data_collection       'Bruker APEX3'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0721P)²+1.0798P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.504(15)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         28717
_refine_ls_number_parameters     1730
_refine_ls_number_restraints     3003
_refine_ls_R_factor_all          0.0887
_refine_ls_R_factor_gt           0.0575
_refine_ls_wR_factor_ref         0.1577
_refine_ls_wR_factor_gt          0.1418
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_restrained_S_all      1.044
_refine_ls_shift/su_max          0.012
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.15837(6) 0.65220(7) 0.16802(4) 0.0231(3) Uani 1 1 d . . . . .
Zn2 Zn 0.09343(6) 1.57847(7) 0.01963(4) 0.0237(3) Uani 1 1 d . . . . .
Zn3 Zn 0.40202(7) 0.34751(7) 0.87049(4) 0.0271(3) Uani 1 1 d . . . . .
Zn4 Zn 1.33603(7) 0.27157(7) 0.72222(5) 0.0271(3) Uani 1 1 d . . . . .
Zn5 Zn 0.87477(7) 0.84878(7) 0.32056(5) 0.0266(3) Uani 1 1 d . . . . .
Zn6 Zn -0.05861(7) 0.92412(7) 0.46933(5) 0.0274(3) Uani 1 1 d . . . . .
C1 C 0.5462(8) 0.3319(9) 0.8078(6) 0.0412(19) Uani 1 1 d . U . . .
C2 C 0.6435(8) 0.3259(10) 0.8054(6) 0.051(2) Uani 1 1 d . U . . .
C3 C 0.6553(8) 0.2737(10) 0.7467(6) 0.070(3) Uani 1 1 d . U . . .
H3 H 0.601958 0.242182 0.709224 0.084 Uiso 1 1 calc R U . . .
C4 C 0.7391(8) 0.2662(10) 0.7412(6) 0.072(3) Uani 1 1 d . U . . .
H4 H 0.744325 0.234470 0.699763 0.087 Uiso 1 1 calc R U . . .
C5 C 0.8214(8) 0.3072(9) 0.7992(6) 0.052(2) Uani 1 1 d . U . . .
C6 C 0.8075(8) 0.3540(10) 0.8578(6) 0.068(3) Uani 1 1 d . U . . .
H6 H 0.858426 0.381379 0.897161 0.081 Uiso 1 1 calc R U . . .
C7 C 0.7162(8) 0.3609(10) 0.8589(6) 0.064(3) Uani 1 1 d . U . . .
H7 H 0.708019 0.391554 0.899527 0.077 Uiso 1 1 calc R U . . .
C8 C 0.9162(8) 0.2971(8) 0.7976(5) 0.0419(18) Uani 1 1 d . U . . .
C9 C 0.9329(7) 0.2685(8) 0.7357(5) 0.0432(19) Uani 1 1 d . U . . .
H9 H 0.883885 0.255347 0.696854 0.052 Uiso 1 1 calc R U . . .
C10 C 1.0181(7) 0.2596(8) 0.7309(5) 0.043(2) Uani 1 1 d . U . . .
H10 H 1.027015 0.240358 0.689171 0.052 Uiso 1 1 calc R U . . .
C11 C 1.0949(7) 0.2796(8) 0.7899(5) 0.0390(18) Uani 1 1 d . U . . .
C12 C 1.0719(7) 0.2964(8) 0.8503(5) 0.0393(18) Uani 1 1 d . U . . .
H12 H 1.116972 0.302541 0.889297 0.047 Uiso 1 1 calc R U . . .
C13 C 0.9831(7) 0.3037(8) 0.8514(5) 0.0417(19) Uani 1 1 d . U . . .
H13 H 0.969355 0.313682 0.891502 0.050 Uiso 1 1 calc R U . . .
C14 C 1.1945(8) 0.2851(8) 0.7879(6) 0.0358(17) Uani 1 1 d . U . . .
C15 C 1.3579(9) 0.1325(9) 0.7800(6) 0.0440(19) Uani 1 1 d . U . . .
C16 C 1.3631(9) 0.0361(8) 0.7833(6) 0.0466(19) Uani 1 1 d . U . . .
C17 C 1.3146(8) -0.0487(8) 0.7299(6) 0.055(2) Uani 1 1 d . U . . .
H17 H 1.274453 -0.047731 0.691129 0.067 Uiso 1 1 calc R U . . .
C18 C 1.3262(9) -0.1350(9) 0.7344(6) 0.062(2) Uani 1 1 d . U . . .
H18 H 1.297862 -0.190604 0.696737 0.075 Uiso 1 1 calc R U . . .
C19 C 1.3779(9) -0.1420(8) 0.7923(6) 0.053(2) Uani 1 1 d . U . . .
C20 C 1.4246(9) -0.0557(7) 0.8462(6) 0.060(2) Uani 1 1 d . U . . .
H20 H 1.460005 -0.057184 0.886454 0.072 Uiso 1 1 calc R U . . .
C21 C 1.4190(9) 0.0314(8) 0.8409(6) 0.058(2) Uani 1 1 d . U . . .
H21 H 1.453465 0.087924 0.876793 0.069 Uiso 1 1 calc R U . . .
C22 C 1.3832(9) -0.2342(8) 0.7973(6) 0.0526(19) Uani 1 1 d . U . . .
C23 C 1.3783(8) -0.3107(7) 0.7445(5) 0.052(2) Uani 1 1 d . U . . .
H23 H 1.370581 -0.303292 0.703298 0.062 Uiso 1 1 calc R U . . .
C24 C 1.3839(8) -0.3969(7) 0.7481(5) 0.050(2) Uani 1 1 d . U . . .
H24 H 1.384721 -0.445295 0.711112 0.059 Uiso 1 1 calc R U . . .
C25 C 1.3887(8) -0.4129(8) 0.8096(5) 0.0419(18) Uani 1 1 d . U . . .
C26 C 1.3946(8) -0.3368(8) 0.8641(6) 0.047(2) Uani 1 1 d . U . . .
H26 H 1.404722 -0.342636 0.905982 0.056 Uiso 1 1 calc R U . . .
C27 C 1.3858(9) -0.2552(8) 0.8567(6) 0.052(2) Uani 1 1 d . U . . .
H27 H 1.381029 -0.208143 0.892726 0.063 Uiso 1 1 calc R U . . .
C28 C 1.3837(8) -0.5111(8) 0.8110(6) 0.0383(18) Uani 1 1 d . U . . .
C29 C 0.3585(8) 0.3729(8) 0.9966(5) 0.047(2) Uani 1 1 d . U . . .
H29 H 0.313399 0.398959 0.977898 0.056 Uiso 1 1 calc R U . . .
C30 C 0.3592(8) 0.3567(8) 1.0563(5) 0.050(2) Uani 1 1 d . U . . .
H30 H 0.316784 0.375711 1.078034 0.060 Uiso 1 1 calc R U . . .
C31 C 0.4201(8) 0.3142(9) 1.0828(5) 0.0539(18) Uani 1 1 d . U . . .
C32 C 0.4867(8) 0.2934(9) 1.0514(5) 0.060(2) Uani 1 1 d . U . . .
H32 H 0.532759 0.267308 1.068717 0.072 Uiso 1 1 calc R U . . .
C33 C 0.4820(8) 0.3129(9) 0.9936(5) 0.052(2) Uani 1 1 d . U . . .
H33 H 0.525426 0.297517 0.971728 0.062 Uiso 1 1 calc R U . . .
C34 C 0.4193(9) 0.2908(9) 1.1438(5) 0.0613(19) Uani 1 1 d . U . . .
C35 C 0.4035(9) 0.3500(9) 1.1974(5) 0.054(2) Uani 1 1 d . U . . .
H35 H 0.398186 0.410154 1.197684 0.065 Uiso 1 1 calc R U . . .
C36 C 0.3952(9) 0.3234(9) 1.2510(5) 0.0560(19) Uani 1 1 d . U . . .
C37 C 0.3935(9) 0.2289(8) 1.2475(5) 0.0636(19) Uani 1 1 d . U . . .
C38 C 0.4077(9) 0.1644(9) 1.1942(5) 0.070(2) Uani 1 1 d . U . . .
H38 H 0.410590 0.103389 1.193220 0.083 Uiso 1 1 calc R U . . .
C39 C 0.4174(9) 0.1960(9) 1.1424(5) 0.069(2) Uani 1 1 d . U . . .
H39 H 0.423032 0.153043 1.104667 0.083 Uiso 1 1 calc R U . . .
C40 C 0.3805(10) 0.2164(9) 1.3092(5) 0.0654(19) Uani 1 1 d . U . . .
C41 C 0.3729(9) 0.3051(9) 1.3510(6) 0.0593(19) Uani 1 1 d . U . . .
C42 C 0.3595(9) 0.3134(8) 1.4099(5) 0.056(2) Uani 1 1 d . U . . .
H42 H 0.356190 0.371959 1.436509 0.067 Uiso 1 1 calc R U . . .
C43 C 0.3503(9) 0.2362(8) 1.4321(5) 0.061(2) Uani 1 1 d . U . . .
C44 C 0.3562(9) 0.1508(8) 1.3916(5) 0.070(2) Uani 1 1 d . U . . .
H44 H 0.349027 0.098633 1.406045 0.084 Uiso 1 1 calc R U . . .
C45 C 0.3722(9) 0.1383(8) 1.3305(5) 0.071(2) Uani 1 1 d . U . . .
H45 H 0.377227 0.079997 1.304880 0.085 Uiso 1 1 calc R U . . .
C46 C 0.3420(9) 0.2459(8) 1.5007(5) 0.056(2) Uani 1 1 d . U . . .
C47 C 0.3895(8) 0.3307(7) 1.5556(5) 0.054(2) Uani 1 1 d . U . . .
H47 H 0.426949 0.384130 1.551605 0.065 Uiso 1 1 calc R U . . .
C48 C 0.3782(8) 0.3314(7) 1.6156(5) 0.055(2) Uani 1 1 d . U . . .
H48 H 0.411579 0.386672 1.652690 0.066 Uiso 1 1 calc R U . . .
C49 C 0.2729(8) 0.1879(8) 1.5737(5) 0.056(2) Uani 1 1 d . U . . .
H49 H 0.228255 0.141217 1.579115 0.067 Uiso 1 1 calc R U . . .
C50 C 0.2791(9) 0.1733(8) 1.5081(5) 0.072(2) Uani 1 1 d . U . . .
H50 H 0.242495 0.117591 1.472076 0.087 Uiso 1 1 calc R U . . .
C51 C 0.3809(9) 0.3742(9) 1.3139(5) 0.059(2) Uani 1 1 d . U . . .
C52 C 0.1541(9) 0.6526(9) 0.4924(6) 0.064(2) Uani 1 1 d . U . . .
H52 H 0.139470 0.708559 0.490408 0.076 Uiso 1 1 calc R U . . .
C53 C 0.1412(8) 0.7903(8) 0.1077(6) 0.0327(17) Uani 1 1 d . U . . .
C54 C 0.1447(8) 0.8909(7) 0.1052(5) 0.0355(17) Uani 1 1 d . U . . .
C55 C 0.1243(8) 0.9048(7) 0.0437(5) 0.047(2) Uani 1 1 d . U . . .
H55 H 0.112293 0.853086 0.004653 0.056 Uiso 1 1 calc R U . . .
C56 C 0.1219(8) 0.9887(7) 0.0400(5) 0.048(2) Uani 1 1 d . U . . .
H56 H 0.110249 0.994677 -0.001867 0.057 Uiso 1 1 calc R U . . .
C57 C 0.1352(8) 1.0674(7) 0.0933(6) 0.0387(17) Uani 1 1 d . U . . .
C58 C 0.1544(9) 1.0541(8) 0.1543(6) 0.052(2) Uani 1 1 d . U . . .
H58 H 0.162468 1.105729 0.192371 0.062 Uiso 1 1 calc R U . . .
C59 C 0.1620(9) 0.9702(8) 0.1613(6) 0.047(2) Uani 1 1 d . U . . .
H59 H 0.178806 0.965895 0.203615 0.056 Uiso 1 1 calc R U . . .
C60 C 0.1276(8) 1.1615(8) 0.0881(5) 0.0396(18) Uani 1 1 d . U . . .
C61 C 0.0961(9) 1.1706(8) 0.0274(5) 0.047(2) Uani 1 1 d . U . . .
H61 H 0.077752 1.117149 -0.011584 0.057 Uiso 1 1 calc R U . . .
C62 C 0.0914(9) 1.2603(8) 0.0235(6) 0.049(2) Uani 1 1 d . U . . .
H62 H 0.070928 1.265167 -0.018361 0.059 Uiso 1 1 calc R U . . .
C63 C 0.1162(8) 1.3418(8) 0.0798(5) 0.0382(18) Uani 1 1 d . U . . .
C64 C 0.1491(8) 1.3316(7) 0.1413(5) 0.047(2) Uani 1 1 d . U . . .
H64 H 0.167279 1.384990 0.180291 0.057 Uiso 1 1 calc R U . . .
C65 C 0.1105(9) 1.4375(8) 0.0757(6) 0.0369(18) Uani 1 1 d . U . . .
C66 C 0.4015(8) 0.6295(9) 0.1058(6) 0.0446(19) Uani 1 1 d . U . . .
C67 C 0.4201(8) 0.6136(9) 0.0487(5) 0.051(2) Uani 1 1 d . U . . .
H67 H 0.374246 0.611856 0.011576 0.061 Uiso 1 1 calc R U . . .
C68 C 0.5050(7) 0.5994(9) 0.0419(6) 0.053(2) Uani 1 1 d . U . . .
H68 H 0.514078 0.584598 0.000211 0.064 Uiso 1 1 calc R U . . .
C69 C 0.5761(8) 0.6074(10) 0.0971(6) 0.052(2) Uani 1 1 d . U . . .
C70 C 0.5520(7) 0.6151(9) 0.1553(5) 0.061(2) Uani 1 1 d . U . . .
H70 H 0.595224 0.613412 0.192478 0.073 Uiso 1 1 calc R U . . .
C71 C 0.4638(7) 0.6252(9) 0.1584(5) 0.056(2) Uani 1 1 d . U . . .
H71 H 0.448047 0.628955 0.197259 0.068 Uiso 1 1 calc R U . . .
C72 C 0.6703(8) 0.5944(10) 0.0931(6) 0.055(2) Uani 1 1 d . U . . .
C73 C 0.7417(7) 0.6026(8) 0.1488(5) 0.043(2) Uani 1 1 d . U . . .
H73 H 0.729072 0.610747 0.189080 0.051 Uiso 1 1 calc R U . . .
C74 C 0.8302(7) 0.5992(8) 0.1459(5) 0.0403(19) Uani 1 1 d . U . . .
H74 H 0.875846 0.605296 0.184650 0.048 Uiso 1 1 calc R U . . .
C75 C 0.8549(8) 0.5869(9) 0.0873(6) 0.0435(19) Uani 1 1 d . U . . .
C76 C 0.7775(8) 0.5651(10) 0.0271(6) 0.065(3) Uani 1 1 d . U . . .
H76 H 0.786293 0.547863 -0.014734 0.078 Uiso 1 1 calc R U . . .
C77 C 0.9506(8) 0.5912(8) 0.0850(6) 0.0347(18) Uani 1 1 d . U . . .
C78 C 0.3040(8) 0.6341(9) 0.1081(6) 0.0420(19) Uani 1 1 d . U . . .
C79 C 0.6893(8) 0.5710(10) 0.0340(6) 0.068(2) Uani 1 1 d . U . . .
H79 H 0.639928 0.558081 -0.004616 0.081 Uiso 1 1 calc R U . . .
C80 C 0.1137(8) 0.6732(8) 0.2947(5) 0.043(2) Uani 1 1 d . U . . .
H80 H 0.067799 0.699366 0.277169 0.052 Uiso 1 1 calc R U . . .
C81 C 0.1149(8) 0.6581(8) 0.3529(5) 0.0422(19) Uani 1 1 d . U . . .
H81 H 0.070582 0.673451 0.373872 0.051 Uiso 1 1 calc R U . . .
C82 C 0.1815(8) 0.6201(8) 0.3802(5) 0.0446(17) Uani 1 1 d . U . . .
C83 C 0.2477(8) 0.6025(8) 0.3477(5) 0.049(2) Uani 1 1 d . U . . .
H83 H 0.296782 0.580421 0.365894 0.059 Uiso 1 1 calc R U . . .
C84 C 0.2403(8) 0.6173(8) 0.2905(5) 0.047(2) Uani 1 1 d . U . . .
H84 H 0.284072 0.602084 0.268921 0.057 Uiso 1 1 calc R U . . .
C85 C 0.1817(8) 0.5985(8) 0.4416(5) 0.0536(18) Uani 1 1 d . U . . .
C86 C 0.2051(8) 0.5170(8) 0.4494(5) 0.059(2) Uani 1 1 d . U . . .
H86 H 0.225994 0.480302 0.417006 0.071 Uiso 1 1 calc R U . . .
C87 C 0.1987(9) 0.4874(8) 0.5038(5) 0.061(2) Uani 1 1 d . U . . .
H87 H 0.213961 0.432237 0.507177 0.073 Uiso 1 1 calc R U . . .
C88 C 0.1697(8) 0.5420(8) 0.5506(5) 0.0514(17) Uani 1 1 d . U . . .
C89 C 0.1482(9) 0.6238(9) 0.5459(6) 0.0507(17) Uani 1 1 d . U . . .
C90 C 0.1166(8) 0.6702(8) 0.6047(5) 0.0497(18) Uani 1 1 d . U . . .
C91 C 0.1237(8) 0.6063(9) 0.6438(5) 0.0465(17) Uani 1 1 d . U . . .
C92 C 0.1534(8) 0.5281(8) 0.6112(5) 0.0485(17) Uani 1 1 d . U . . .
C93 C 0.1624(8) 0.4571(8) 0.6365(5) 0.0516(19) Uani 1 1 d . U . . .
H93 H 0.178147 0.403588 0.613832 0.062 Uiso 1 1 calc R U . . .
C94 C 0.1469(8) 0.4685(8) 0.6979(5) 0.0514(19) Uani 1 1 d . U . . .
H94 H 0.155001 0.421863 0.716589 0.062 Uiso 1 1 calc R U . . .
C95 C 0.1203(8) 0.5448(8) 0.7327(5) 0.0463(17) Uani 1 1 d . U . . .
C96 C 0.1084(8) 0.6151(8) 0.7048(5) 0.0478(19) Uani 1 1 d . U . . .
H96 H 0.090292 0.667290 0.726851 0.057 Uiso 1 1 calc R U . . .
C97 C 0.1111(8) 0.5534(8) 0.8006(5) 0.0425(17) Uani 1 1 d . U . . .
C98 C 0.0442(8) 0.5963(8) 0.8231(5) 0.049(2) Uani 1 1 d . U . . .
H98 H 0.005250 0.619909 0.796425 0.058 Uiso 1 1 calc R U . . .
C99 C 0.0387(8) 0.6018(9) 0.8856(5) 0.050(2) Uani 1 1 d . U . . .
H99 H -0.003337 0.632210 0.901160 0.060 Uiso 1 1 calc R U . . .
C100 C 0.1530(7) 0.5272(7) 0.9019(5) 0.038(2) Uani 1 1 d . U . . .
H100 H 0.191248 0.503859 0.929189 0.046 Uiso 1 1 calc R U . . .
C101 C 0.1640(7) 0.5200(7) 0.8411(5) 0.0413(19) Uani 1 1 d . U . . .
H101 H 0.208558 0.491647 0.827730 0.050 Uiso 1 1 calc R U . . .
C102 C -0.1070(9) 0.7091(9) 0.3847(6) 0.0434(19) Uani 1 1 d . U . . .
C103 C -0.1076(9) 0.6141(8) 0.3900(6) 0.0463(19) Uani 1 1 d . U . . .
C104 C -0.1172(9) 0.5397(9) 0.3348(6) 0.057(2) Uani 1 1 d . U . . .
H104 H -0.121701 0.550033 0.294644 0.069 Uiso 1 1 calc R U . . .
C105 C -0.1208(10) 0.4435(9) 0.3367(6) 0.061(2) Uani 1 1 d . U . . .
H105 H -0.131722 0.391821 0.297898 0.073 Uiso 1 1 calc R U . . .
C106 C -0.1076(9) 0.4318(9) 0.3970(6) 0.053(2) Uani 1 1 d . U . . .
C107 C -0.1000(9) 0.5070(7) 0.4532(6) 0.054(2) Uani 1 1 d . U . . .
H107 H -0.095921 0.498144 0.493718 0.065 Uiso 1 1 calc R U . . .
C108 C -0.0985(8) 0.5999(8) 0.4475(6) 0.051(2) Uani 1 1 d . U . . .
H108 H -0.090846 0.651419 0.485540 0.061 Uiso 1 1 calc R U . . .
C109 C -0.1023(9) 0.3361(8) 0.4019(6) 0.051(2) Uani 1 1 d . U . . .
C110 C -0.0509(10) 0.3278(9) 0.4582(7) 0.063(2) Uani 1 1 d . U . . .
H110 H -0.014771 0.383583 0.494241 0.076 Uiso 1 1 calc R U . . .
C111 C -0.0499(9) 0.2411(8) 0.4642(6) 0.054(2) Uani 1 1 d . U . . .
H111 H -0.021895 0.237904 0.505599 0.065 Uiso 1 1 calc R U . . .
C112 C -0.0898(8) 0.1597(8) 0.4098(6) 0.0406(19) Uani 1 1 d . U . . .
C113 C -0.1395(8) 0.1673(8) 0.3526(6) 0.053(2) Uani 1 1 d . U . . .
H113 H -0.168787 0.112535 0.314404 0.063 Uiso 1 1 calc R U . . .
C114 C -0.1469(9) 0.2547(8) 0.3507(6) 0.057(2) Uani 1 1 d . U . . .
H114 H -0.184854 0.257138 0.311678 0.068 Uiso 1 1 calc R U . . .
C115 C -0.0830(9) 0.0648(8) 0.4122(6) 0.0377(18) Uani 1 1 d . U . . .
C116 C 0.0842(8) 0.9096(9) 0.4015(6) 0.0405(19) Uani 1 1 d . U . . .
C117 C 0.1834(8) 0.9115(8) 0.3994(6) 0.0393(18) Uani 1 1 d . U . . .
C118 C 0.2468(7) 0.9112(8) 0.4532(5) 0.047(2) Uani 1 1 d . U . . .
H118 H 0.230779 0.915316 0.492056 0.056 Uiso 1 1 calc R U . . .
C119 C 0.3369(8) 0.9048(8) 0.4512(6) 0.053(2) Uani 1 1 d . U . . .
H119 H 0.380782 0.905802 0.489077 0.063 Uiso 1 1 calc R U . . .
C120 C 0.3617(9) 0.8969(9) 0.3933(6) 0.0493(19) Uani 1 1 d . U . . .
C121 C 0.2914(8) 0.8916(8) 0.3361(6) 0.045(2) Uani 1 1 d . U . . .
H121 H 0.303969 0.882697 0.295707 0.054 Uiso 1 1 calc R U . . .
C122 C 0.2030(8) 0.8998(8) 0.3409(6) 0.043(2) Uani 1 1 d . U . . .
H122 H 0.156908 0.897244 0.303639 0.051 Uiso 1 1 calc R U . . .
C123 C 0.4536(8) 0.8843(9) 0.3881(6) 0.053(2) Uani 1 1 d . U . . .
C124 C 0.5316(8) 0.9206(10) 0.4443(6) 0.067(3) Uani 1 1 d . U . . .
H124 H 0.522959 0.951117 0.484678 0.080 Uiso 1 1 calc R U . . .
C125 C 0.6204(8) 0.9155(9) 0.4456(6) 0.062(3) Uani 1 1 d . U . . .
H125 H 0.669692 0.940433 0.485778 0.074 Uiso 1 1 calc R U . . .
C126 C 0.6371(8) 0.8704(9) 0.3831(6) 0.045(2) Uani 1 1 d . U . . .
C127 C 0.5539(8) 0.8286(8) 0.3256(6) 0.055(2) Uani 1 1 d . U . . .
H127 H 0.558967 0.795505 0.284361 0.066 Uiso 1 1 calc R U . . .
C128 C 0.4687(8) 0.8363(9) 0.3303(6) 0.057(2) Uani 1 1 d . U . . .
H128 H 0.416700 0.807195 0.291772 0.068 Uiso 1 1 calc R U . . .
C129 C 0.7318(8) 0.8644(9) 0.3817(6) 0.0370(18) Uani 1 1 d . U . . .
C130 C -0.1002(9) 1.0010(8) 0.5935(5) 0.060(3) Uani 1 1 d . U . . .
H130 H -0.125695 1.038261 0.571396 0.072 Uiso 1 1 calc R U . . .
C131 C -0.1131(8) 1.0070(8) 0.6529(5) 0.059(2) Uani 1 1 d . U . . .
H131 H -0.148981 1.045471 0.669193 0.071 Uiso 1 1 calc R U . . .
C132 C -0.0725(9) 0.9550(9) 0.6914(5) 0.0568(19) Uani 1 1 d . U . . .
C133 C -0.0267(9) 0.8975(9) 0.6617(5) 0.062(2) Uani 1 1 d . U . . .
H133 H -0.001566 0.859230 0.683009 0.075 Uiso 1 1 calc R U . . .
C134 C -0.0156(9) 0.8934(9) 0.5999(5) 0.062(3) Uani 1 1 d . U . . .
H134 H 0.018864 0.853927 0.582605 0.075 Uiso 1 1 calc R U . . .
C135 C -0.0894(9) 0.9606(9) 0.7556(5) 0.0563(19) Uani 1 1 d . U . . .
C136 C -0.0856(8) 0.8880(8) 0.7803(5) 0.0499(19) Uani 1 1 d . U . . .
H136 H -0.071514 0.834110 0.756388 0.060 Uiso 1 1 calc R U . . .
C137 C -0.1020(9) 0.8930(10) 0.8398(6) 0.0545(18) Uani 1 1 d . U . . .
C138 C -0.1196(10) 0.9756(9) 0.8767(6) 0.0613(19) Uani 1 1 d . U . . .
C139 C -0.1222(10) 1.0481(9) 0.8540(5) 0.070(2) Uani 1 1 d . U . . .
H139 H -0.137032 1.101209 0.878200 0.084 Uiso 1 1 calc R U . . .
C140 C -0.1027(10) 1.0452(9) 0.7934(5) 0.068(2) Uani 1 1 d . U . . .
H140 H -0.098840 1.097854 0.779570 0.081 Uiso 1 1 calc R U . . .
C141 C -0.0995(9) 0.8257(9) 0.8775(5) 0.0530(19) Uani 1 1 d . U . . .
C142 C -0.1189(9) 0.8748(9) 0.9407(6) 0.0546(18) Uani 1 1 d . U . . .
C143 C -0.1348(9) 0.9651(9) 0.9405(6) 0.0616(19) Uani 1 1 d . U . . .
C144 C -0.1543(9) 1.0223(9) 0.9921(5) 0.070(2) Uani 1 1 d . U . . .
H144 H -0.165897 1.079938 0.991370 0.084 Uiso 1 1 calc R U . . .
C145 C -0.1472(9) 0.9065(9) 1.0463(5) 0.0582(19) Uani 1 1 d . U . . .
C146 C -0.1252(8) 0.8448(9) 0.9944(5) 0.0511(19) Uani 1 1 d . U . . .
H146 H -0.115326 0.786756 0.995667 0.061 Uiso 1 1 calc R U . . .
C147 C -0.1512(9) 0.8774(9) 1.1041(5) 0.0539(19) Uani 1 1 d . U . . .
C148 C -0.2157(8) 0.8997(9) 1.1392(5) 0.058(2) Uani 1 1 d . U . . .
H148 H -0.261421 0.926415 1.122213 0.069 Uiso 1 1 calc R U . . .
C149 C -0.2127(8) 0.8824(9) 1.1997(5) 0.054(2) Uani 1 1 d . U . . .
H149 H -0.256616 0.896141 1.221518 0.065 Uiso 1 1 calc R U . . .
C150 C -0.0826(8) 0.8257(8) 1.1918(5) 0.042(2) Uani 1 1 d . U . . .
H150 H -0.034762 0.802596 1.210460 0.051 Uiso 1 1 calc R U . . .
C151 C -0.0857(8) 0.8377(8) 1.1308(5) 0.049(2) Uani 1 1 d . U . . .
H151 H -0.043668 0.818765 1.108598 0.058 Uiso 1 1 calc R U . . .
C152 C 0.1550(8) 1.2442(7) 0.1455(5) 0.050(2) Uani 1 1 d . U . . .
H152 H 0.177770 1.239810 0.187265 0.060 Uiso 1 1 calc R U . . .
C153 C -0.1569(9) 0.9932(9) 1.0474(6) 0.068(2) Uani 1 1 d . U . . .
H153 H -0.165314 1.034293 1.084714 0.081 Uiso 1 1 calc R U . . .
N1 N 0.4204(6) 0.3517(6) 0.9672(4) 0.035(2) Uani 1 1 d . . . . .
N2 N 0.3237(7) 0.2599(7) 1.6252(4) 0.040(2) Uani 1 1 d . . . . .
N3 N 0.1746(6) 0.6527(6) 0.2611(4) 0.029(2) Uani 1 1 d . . . . .
N4 N 0.0895(6) 0.5665(7) 0.9246(4) 0.030(2) Uani 1 1 d . . . . .
N5 N -0.0520(7) 0.9435(7) 0.5636(5) 0.038(2) Uani 1 1 d . . . . .
N6 N -0.1436(6) 0.8452(7) 1.2250(4) 0.032(2) Uani 1 1 d . . . . .
O1 O 0.4808(5) 0.2988(6) 0.7521(4) 0.0446(18) Uani 1 1 d . U . . .
O2 O 0.5345(5) 0.3661(6) 0.8638(4) 0.0468(18) Uani 1 1 d . U . . .
O3 O 1.2047(5) 0.2619(5) 0.7320(4) 0.0415(17) Uani 1 1 d . U . . .
O4 O 1.2556(5) 0.3110(6) 0.8437(4) 0.0441(18) Uani 1 1 d . U . . .
O5 O 1.3237(6) 0.1362(6) 0.7223(4) 0.0516(19) Uani 1 1 d . U . . .
O6 O 1.3880(6) 0.2014(5) 0.8344(4) 0.0477(18) Uani 1 1 d . U . . .
O7 O 1.3639(6) -0.5804(5) 0.7566(4) 0.0479(18) Uani 1 1 d . U . . .
O8 O 1.4018(6) -0.5191(5) 0.8684(4) 0.0436(17) Uani 1 1 d . U . . .
O9 O 0.3767(7) 0.4537(6) 1.3332(4) 0.085(3) Uani 1 1 d . U . . .
O10 O -0.0850(7) 0.7503(7) 0.8624(4) 0.082(3) Uani 1 1 d . U . . .
O11 O 0.1324(6) 1.5028(5) 0.1284(4) 0.0407(17) Uani 1 1 d . U . . .
O12 O 0.0879(6) 1.4418(6) 0.0175(4) 0.0453(19) Uani 1 1 d . U . . .
O13 O 0.1674(6) 0.7845(5) 0.1642(4) 0.0416(18) Uani 1 1 d . U . . .
O14 O 0.1137(6) 0.7238(5) 0.0531(4) 0.0424(18) Uani 1 1 d . U . . .
O15 O 0.2902(5) 0.6589(6) 0.1643(4) 0.0453(19) Uani 1 1 d . U . . .
O16 O 0.2400(5) 0.6112(6) 0.0544(4) 0.0453(19) Uani 1 1 d . U . . .
O17 O 1.0133(5) 0.6253(6) 0.1394(4) 0.0431(18) Uani 1 1 d . U . . .
O18 O 0.9609(5) 0.5586(6) 0.0288(4) 0.0465(19) Uani 1 1 d . U . . .
O19 O 0.0943(6) 0.7426(6) 0.6174(4) 0.071(2) Uani 1 1 d . U . . .
O20 O 0.0690(5) 0.9319(6) 0.4572(4) 0.0493(19) Uani 1 1 d . U . . .
O21 O 0.0189(5) 0.8826(6) 0.3459(4) 0.0438(18) Uani 1 1 d . U . . .
O22 O 0.7964(6) 0.8983(6) 0.4364(4) 0.0484(19) Uani 1 1 d . U . . .
O23 O 0.7404(5) 0.8284(6) 0.3247(4) 0.0417(17) Uani 1 1 d . U . . .
O24 O -0.0833(6) 0.7780(6) 0.4392(4) 0.055(2) Uani 1 1 d . U . . .
O25 O -0.1286(6) 0.7173(5) 0.3278(4) 0.0476(18) Uani 1 1 d . U . . .
O26 O -0.0516(6) 0.0574(5) 0.4674(4) 0.0466(18) Uani 1 1 d . U . . .
O27 O -0.1100(6) -0.0051(5) 0.3565(4) 0.0463(19) Uani 1 1 d . U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 O15 2.000(7) . ?
Zn1 N3 2.002(8) . ?
Zn1 O13 2.010(7) . ?
Zn1 O17 2.056(8) 1_455 ?
Zn1 O11 2.094(7) 1_545 ?
Zn1 Zn2 2.9695(14) 1_545 ?
Zn2 N4 2.033(8) 1_564 ?
Zn2 O18 2.035(7) 1_465 ?
Zn2 O14 2.044(7) 1_565 ?
Zn2 O12 2.044(7) . ?
Zn2 O16 2.072(7) 1_565 ?
Zn3 O2 2.015(7) . ?
Zn3 O8 2.037(7) 1_465 ?
Zn3 N1 2.062(8) . ?
Zn3 O4 2.067(7) 1_455 ?
Zn3 O6 2.074(7) 1_455 ?
Zn3 Zn4 2.9668(14) 1_455 ?
Zn4 O5 2.023(8) . ?
Zn4 O3 2.031(7) . ?
Zn4 N2 2.050(8) 1_654 ?
Zn4 O1 2.052(7) 1_655 ?
Zn4 O7 2.068(7) 1_565 ?
Zn5 O23 2.024(7) . ?
Zn5 O21 2.037(7) 1_655 ?
Zn5 O25 2.037(7) 1_655 ?
Zn5 N6 2.038(8) 1_654 ?
Zn5 O27 2.071(7) 1_665 ?
Zn5 Zn6 2.9767(15) 1_655 ?
Zn6 N5 1.985(9) . ?
Zn6 O20 1.998(7) . ?
Zn6 O26 2.017(7) 1_565 ?
Zn6 O24 2.046(8) . ?
Zn6 O22 2.060(8) 1_455 ?
C1 O2 1.261(13) . ?
C1 O1 1.268(13) . ?
C1 C2 1.507(14) . ?
C2 C7 1.293(15) . ?
C2 C3 1.379(15) . ?
C3 C4 1.327(14) . ?
C3 H3 0.9300 . ?
C4 C5 1.432(15) . ?
C4 H4 0.9300 . ?
C5 C6 1.367(15) . ?
C5 C8 1.483(11) . ?
C6 C7 1.414(14) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 C13 1.329(13) . ?
C8 C9 1.405(14) . ?
C9 C10 1.349(13) . ?
C9 H9 0.9300 . ?
C10 C11 1.433(14) . ?
C10 H10 0.9300 . ?
C11 C12 1.417(13) . ?
C11 C14 1.506(13) . ?
C12 C13 1.378(12) . ?
C12 H12 0.9300 . ?
C13 H13 0.9300 . ?
C14 O3 1.233(12) . ?
C14 O4 1.249(13) . ?
C15 O6 1.249(14) . ?
C15 O5 1.277(13) . ?
C15 C16 1.503(15) . ?
C16 C21 1.379(15) . ?
C16 C17 1.384(15) . ?
C17 C18 1.383(14) . ?
C17 H17 0.9300 . ?
C18 C19 1.375(15) . ?
C18 H18 0.9300 . ?
C19 C20 1.397(15) . ?
C19 C22 1.451(12) . ?
C20 C21 1.377(13) . ?
C20 H20 0.9300 . ?
C21 H21 0.9300 . ?
C22 C23 1.359(14) . ?
C22 C27 1.424(15) . ?
C23 C24 1.351(13) . ?
C23 H23 0.9300 . ?
C24 C25 1.430(13) . ?
C24 H24 0.9300 . ?
C25 C26 1.373(14) . ?
C25 C28 1.485(14) . ?
C26 C27 1.324(14) . ?
C26 H26 0.9300 . ?
C27 H27 0.9300 . ?
C28 O7 1.265(13) . ?
C28 O8 1.276(12) . ?
C29 N1 1.298(12) . ?
C29 C30 1.403(13) . ?
C29 H29 0.9300 . ?
C30 C31 1.347(14) . ?
C30 H30 0.9300 . ?
C31 C32 1.387(14) . ?
C31 C34 1.486(13) . ?
C32 C33 1.376(14) . ?
C32 H32 0.9300 . ?
C33 N1 1.311(12) . ?
C33 H33 0.9300 . ?
C34 C35 1.364(14) . ?
C34 C39 1.423(15) . ?
C35 C36 1.376(14) . ?
C35 H35 0.9300 . ?
C36 C37 1.408(16) . ?
C36 C51 1.467(14) . ?
C37 C38 1.386(14) . ?
C37 C40 1.475(14) . ?
C38 C39 1.383(13) . ?
C38 H38 0.9300 . ?
C39 H39 0.9300 . ?
C40 C45 1.388(15) . ?
C40 C41 1.438(16) . ?
C41 C42 1.333(14) . ?
C41 C51 1.505(15) . ?
C42 C43 1.388(14) . ?
C42 H42 0.9300 . ?
C43 C44 1.377(15) . ?
C43 C46 1.511(14) . ?
C44 C45 1.389(14) . ?
C44 H44 0.9300 . ?
C45 H45 0.9300 . ?
C46 C50 1.378(15) . ?
C46 C47 1.397(15) . ?
C47 C48 1.367(12) . ?
C47 H47 0.9300 . ?
C48 N2 1.324(12) . ?
C48 H48 0.9300 . ?
C49 N2 1.266(13) . ?
C49 C50 1.426(13) . ?
C49 H49 0.9300 . ?
C50 H50 0.9300 . ?
C51 O9 1.177(12) . ?
C52 C89 1.385(15) . ?
C52 C85 1.387(14) . ?
C52 H52 0.9300 . ?
C53 O14 1.237(13) . ?
C53 O13 1.249(12) . ?
C53 C54 1.533(14) . ?
C54 C59 1.379(14) . ?
C54 C55 1.403(14) . ?
C55 C56 1.307(13) . ?
C55 H55 0.9300 . ?
C56 C57 1.350(14) . ?
C56 H56 0.9300 . ?
C57 C58 1.387(14) . ?
C57 C60 1.490(12) . ?
C58 C59 1.349(14) . ?
C58 H58 0.9300 . ?
C59 H59 0.9300 . ?
C60 C61 1.367(14) . ?
C60 C152 1.402(14) . ?
C61 C62 1.402(14) . ?
C61 H61 0.9300 . ?
C62 C63 1.383(15) . ?
C62 H62 0.9300 . ?
C63 C64 1.392(14) . ?
C63 C65 1.499(14) . ?
C64 C152 1.375(13) . ?
C64 H64 0.9300 . ?
C65 O11 1.208(13) . ?
C65 O12 1.270(12) . ?
C66 C67 1.318(14) . ?
C66 C71 1.338(14) . ?
C66 C78 1.503(13) . ?
C67 C68 1.381(13) . ?
C67 H67 0.9300 . ?
C68 C69 1.378(14) . ?
C68 H68 0.9300 . ?
C69 C70 1.394(14) . ?
C69 C72 1.498(11) . ?
C70 C71 1.389(12) . ?
C70 H70 0.9300 . ?
C71 H71 0.9300 . ?
C72 C79 1.360(15) . ?
C72 C73 1.385(14) . ?
C73 C74 1.367(12) . ?
C73 H73 0.9300 . ?
C74 C75 1.398(14) . ?
C74 H74 0.9300 . ?
C75 C76 1.450(15) . ?
C75 C77 1.450(14) . ?
C76 C79 1.398(14) . ?
C76 H76 0.9300 . ?
C77 O17 1.229(13) . ?
C77 O18 1.253(13) . ?
C78 O16 1.243(13) . ?
C78 O15 1.266(12) . ?
C79 H79 0.9300 . ?
C80 N3 1.340(12) . ?
C80 C81 1.361(13) . ?
C80 H80 0.9300 . ?
C81 C82 1.365(13) . ?
C81 H81 0.9300 . ?
C82 C83 1.385(13) . ?
C82 C85 1.479(13) . ?
C83 C84 1.325(13) . ?
C83 H83 0.9300 . ?
C84 N3 1.347(12) . ?
C84 H84 0.9300 . ?
C85 C86 1.399(14) . ?
C86 C87 1.411(13) . ?
C86 H86 0.9300 . ?
C87 C88 1.345(13) . ?
C87 H87 0.9300 . ?
C88 C89 1.370(14) . ?
C88 C92 1.477(12) . ?
C89 C90 1.517(14) . ?
C90 O19 1.190(12) . ?
C90 C91 1.473(14) . ?
C91 C96 1.389(13) . ?
C91 C92 1.414(14) . ?
C92 C93 1.364(13) . ?
C93 C94 1.392(12) . ?
C93 H93 0.9300 . ?
C94 C95 1.383(13) . ?
C94 H94 0.9300 . ?
C95 C96 1.397(13) . ?
C95 C97 1.504(12) . ?
C96 H96 0.9300 . ?
C97 C101 1.337(13) . ?
C97 C98 1.418(12) . ?
C98 C99 1.377(12) . ?
C98 H98 0.9300 . ?
C99 N4 1.319(12) . ?
C99 H99 0.9300 . ?
C100 N4 1.346(12) . ?
C100 C101 1.364(13) . ?
C100 H100 0.9300 . ?
C101 H101 0.9300 . ?
C102 O24 1.258(13) . ?
C102 O25 1.267(13) . ?
C102 C103 1.478(15) . ?
C103 C108 1.324(14) . ?
C103 C104 1.353(15) . ?
C104 C105 1.463(15) . ?
C104 H104 0.9300 . ?
C105 C106 1.363(16) . ?
C105 H105 0.9300 . ?
C106 C107 1.382(15) . ?
C106 C109 1.504(13) . ?
C107 C108 1.445(14) . ?
C107 H107 0.9300 . ?
C108 H108 0.9300 . ?
C109 C114 1.324(15) . ?
C109 C110 1.354(16) . ?
C110 C111 1.362(15) . ?
C110 H110 0.9300 . ?
C111 C112 1.350(15) . ?
C111 H111 0.9300 . ?
C112 C113 1.357(14) . ?
C112 C115 1.479(15) . ?
C113 C114 1.364(13) . ?
C113 H113 0.9300 . ?
C114 H114 0.9300 . ?
C115 O26 1.242(13) . ?
C115 O27 1.277(13) . ?
C116 O20 1.262(13) . ?
C116 O21 1.275(13) . ?
C116 C117 1.509(14) . ?
C117 C118 1.340(14) . ?
C117 C122 1.357(14) . ?
C118 C119 1.398(13) . ?
C118 H118 0.9300 . ?
C119 C120 1.390(15) . ?
C119 H119 0.9300 . ?
C120 C121 1.416(15) . ?
C120 C123 1.468(12) . ?
C121 C122 1.395(14) . ?
C121 H121 0.9300 . ?
C122 H122 0.9300 . ?
C123 C128 1.368(15) . ?
C123 C124 1.372(16) . ?
C124 C125 1.356(14) . ?
C124 H124 0.9300 . ?
C125 C126 1.455(15) . ?
C125 H125 0.9300 . ?
C126 C127 1.433(15) . ?
C126 C129 1.461(14) . ?
C127 C128 1.345(14) . ?
C127 H127 0.9300 . ?
C128 H128 0.9300 . ?
C129 O22 1.247(13) . ?
C129 O23 1.265(13) . ?
C130 C131 1.345(12) . ?
C130 N5 1.372(12) . ?
C130 H130 0.9300 . ?
C131 C132 1.433(14) . ?
C131 H131 0.9300 . ?
C132 C133 1.340(14) . ?
C132 C135 1.477(14) . ?
C133 C134 1.394(14) . ?
C133 H133 0.9300 . ?
C134 N5 1.354(13) . ?
C134 H134 0.9300 . ?
C135 C136 1.368(14) . ?
C135 C140 1.395(15) . ?
C136 C137 1.373(14) . ?
C136 H136 0.9300 . ?
C137 C138 1.396(16) . ?
C137 C141 1.490(15) . ?
C138 C139 1.335(15) . ?
C138 C143 1.522(14) . ?
C139 C140 1.423(14) . ?
C139 H139 0.9300 . ?
C140 H140 0.9300 . ?
C141 O10 1.177(12) . ?
C141 C142 1.502(15) . ?
C142 C146 1.398(15) . ?
C142 C143 1.440(16) . ?
C143 C144 1.349(14) . ?
C144 C153 1.413(14) . ?
C144 H144 0.9300 . ?
C145 C153 1.347(15) . ?
C145 C146 1.408(15) . ?
C145 C147 1.473(14) . ?
C146 H146 0.9300 . ?
C147 C151 1.366(14) . ?
C147 C148 1.416(14) . ?
C148 C149 1.420(14) . ?
C148 H148 0.9300 . ?
C149 N6 1.370(12) . ?
C149 H149 0.9300 . ?
C150 N6 1.333(12) . ?
C150 C151 1.396(13) . ?
C150 H150 0.9300 . ?
C151 H151 0.9300 . ?
C152 H152 0.9300 . ?
C153 H153 0.9300 . ?

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
O15 Zn1 N3 100.0(3) . . ?
O15 Zn1 O13 93.4(3) . . ?
N3 Zn1 O13 111.4(3) . . ?
O15 Zn1 O17 161.6(3) . 1_455 ?
N3 Zn1 O17 96.6(3) . 1_455 ?
O13 Zn1 O17 87.6(3) . 1_455 ?
O15 Zn1 O11 85.1(3) . 1_545 ?
N3 Zn1 O11 92.8(3) . 1_545 ?
O13 Zn1 O11 155.6(3) . 1_545 ?
O17 Zn1 O11 86.3(3) 1_455 1_545 ?
O15 Zn1 Zn2 87.7(2) . 1_545 ?
N3 Zn1 Zn2 159.0(3) . 1_545 ?
O13 Zn1 Zn2 87.3(2) . 1_545 ?
O17 Zn1 Zn2 74.0(2) 1_455 1_545 ?
O11 Zn1 Zn2 68.23(19) 1_545 1_545 ?
N4 Zn2 O18 111.0(3) 1_564 1_465 ?
N4 Zn2 O14 95.4(3) 1_564 1_565 ?
O18 Zn2 O14 89.3(3) 1_465 1_565 ?
N4 Zn2 O12 101.8(3) 1_564 . ?
O18 Zn2 O12 89.5(3) 1_465 . ?
O14 Zn2 O12 162.0(3) 1_565 . ?
N4 Zn2 O16 94.0(3) 1_564 1_565 ?
O18 Zn2 O16 154.9(3) 1_465 1_565 ?
O14 Zn2 O16 86.2(3) 1_565 1_565 ?
O12 Zn2 O16 87.4(3) . 1_565 ?
N4 Zn2 Zn1 159.9(3) 1_564 1_565 ?
O18 Zn2 Zn1 84.6(2) 1_465 1_565 ?
O14 Zn2 Zn1 71.3(2) 1_565 1_565 ?
O12 Zn2 Zn1 90.7(2) . 1_565 ?
O16 Zn2 Zn1 70.6(2) 1_565 1_565 ?
O2 Zn3 O8 92.0(3) . 1_465 ?
O2 Zn3 N1 103.1(3) . . ?
O8 Zn3 N1 108.3(3) 1_465 . ?
O2 Zn3 O4 161.1(3) . 1_455 ?
O8 Zn3 O4 88.1(3) 1_465 1_455 ?
N1 Zn3 O4 94.7(3) . 1_455 ?
O2 Zn3 O6 85.6(3) . 1_455 ?
O8 Zn3 O6 158.4(3) 1_465 1_455 ?
N1 Zn3 O6 93.0(3) . 1_455 ?
O4 Zn3 O6 87.3(3) 1_455 1_455 ?
O2 Zn3 Zn4 86.2(2) . 1_455 ?
O8 Zn3 Zn4 89.0(2) 1_465 1_455 ?
N1 Zn3 Zn4 159.8(3) . 1_455 ?
O4 Zn3 Zn4 74.9(2) 1_455 1_455 ?
O6 Zn3 Zn4 69.5(2) 1_455 1_455 ?
O5 Zn4 O3 90.4(3) . . ?
O5 Zn4 N2 104.6(4) . 1_654 ?
O3 Zn4 N2 106.8(3) . 1_654 ?
O5 Zn4 O1 88.8(3) . 1_655 ?
O3 Zn4 O1 157.5(3) . 1_655 ?
N2 Zn4 O1 95.1(3) 1_654 1_655 ?
O5 Zn4 O7 160.5(3) . 1_565 ?
O3 Zn4 O7 88.1(3) . 1_565 ?
N2 Zn4 O7 94.4(3) 1_654 1_565 ?
O1 Zn4 O7 85.3(3) 1_655 1_565 ?
O5 Zn4 Zn3 90.1(2) . 1_655 ?
O3 Zn4 Zn3 84.5(2) . 1_655 ?
N2 Zn4 Zn3 161.1(3) 1_654 1_655 ?
O1 Zn4 Zn3 73.0(2) 1_655 1_655 ?
O7 Zn4 Zn3 70.4(2) 1_565 1_655 ?
O23 Zn5 O21 163.3(3) . 1_655 ?
O23 Zn5 O25 89.3(3) . 1_655 ?
O21 Zn5 O25 89.1(3) 1_655 1_655 ?
O23 Zn5 N6 101.7(3) . 1_654 ?
O21 Zn5 N6 94.4(3) 1_655 1_654 ?
O25 Zn5 N6 111.9(3) 1_655 1_654 ?
O23 Zn5 O27 86.8(3) . 1_665 ?
O21 Zn5 O27 87.8(3) 1_655 1_665 ?
O25 Zn5 O27 155.5(3) 1_655 1_665 ?
N6 Zn5 O27 92.7(3) 1_654 1_665 ?
O23 Zn5 Zn6 87.8(2) . 1_655 ?
O21 Zn5 Zn6 75.5(2) 1_655 1_655 ?
O25 Zn5 Zn6 85.8(2) 1_655 1_655 ?
N6 Zn5 Zn6 159.8(3) 1_654 1_655 ?
O27 Zn5 Zn6 69.8(2) 1_665 1_655 ?
N5 Zn6 O20 111.1(4) . . ?
N5 Zn6 O26 101.4(4) . 1_565 ?
O20 Zn6 O26 92.2(3) . 1_565 ?
N5 Zn6 O24 95.8(3) . . ?
O20 Zn6 O24 87.2(3) . . ?
O26 Zn6 O24 161.7(3) 1_565 . ?
N5 Zn6 O22 94.5(4) . 1_455 ?
O20 Zn6 O22 154.3(3) . 1_455 ?
O26 Zn6 O22 85.4(3) 1_565 1_455 ?
O24 Zn6 O22 87.2(4) . 1_455 ?
N5 Zn6 Zn5 161.9(3) . 1_455 ?
O20 Zn6 Zn5 83.2(2) . 1_455 ?
O26 Zn6 Zn5 88.7(2) 1_565 1_455 ?
O24 Zn6 Zn5 73.0(2) . 1_455 ?
O22 Zn6 Zn5 71.1(2) 1_455 1_455 ?
O2 C1 O1 124.7(11) . . ?
O2 C1 C2 118.9(11) . . ?
O1 C1 C2 116.3(10) . . ?
C7 C2 C3 117.9(11) . . ?
C7 C2 C1 121.5(11) . . ?
C3 C2 C1 120.2(11) . . ?
C4 C3 C2 123.2(12) . . ?
C4 C3 H3 118.4 . . ?
C2 C3 H3 118.4 . . ?
C3 C4 C5 119.7(11) . . ?
C3 C4 H4 120.1 . . ?
C5 C4 H4 120.1 . . ?
C6 C5 C4 116.3(11) . . ?
C6 C5 C8 120.9(10) . . ?
C4 C5 C8 122.8(9) . . ?
C5 C6 C7 120.3(12) . . ?
C5 C6 H6 119.9 . . ?
C7 C6 H6 119.9 . . ?
C2 C7 C6 122.3(11) . . ?
C2 C7 H7 118.9 . . ?
C6 C7 H7 118.9 . . ?
C13 C8 C9 118.0(10) . . ?
C13 C8 C5 122.6(9) . . ?
C9 C8 C5 119.0(9) . . ?
C10 C9 C8 121.9(10) . . ?
C10 C9 H9 119.1 . . ?
C8 C9 H9 119.1 . . ?
C9 C10 C11 120.1(9) . . ?
C9 C10 H10 119.9 . . ?
C11 C10 H10 119.9 . . ?
C12 C11 C10 116.0(9) . . ?
C12 C11 C14 122.3(10) . . ?
C10 C11 C14 121.7(9) . . ?
C13 C12 C11 120.3(9) . . ?
C13 C12 H12 119.8 . . ?
C11 C12 H12 119.8 . . ?
C8 C13 C12 122.6(10) . . ?
C8 C13 H13 118.7 . . ?
C12 C13 H13 118.7 . . ?
O3 C14 O4 128.7(11) . . ?
O3 C14 C11 116.4(10) . . ?
O4 C14 C11 114.8(9) . . ?
O6 C15 O5 126.5(11) . . ?
O6 C15 C16 116.3(10) . . ?
O5 C15 C16 117.2(11) . . ?
C21 C16 C17 118.5(11) . . ?
C21 C16 C15 119.4(11) . . ?
C17 C16 C15 122.1(11) . . ?
C18 C17 C16 119.6(11) . . ?
C18 C17 H17 120.2 . . ?
C16 C17 H17 120.2 . . ?
C19 C18 C17 122.7(12) . . ?
C19 C18 H18 118.6 . . ?
C17 C18 H18 118.6 . . ?
C18 C19 C20 116.6(11) . . ?
C18 C19 C22 121.7(10) . . ?
C20 C19 C22 121.7(9) . . ?
C21 C20 C19 121.2(10) . . ?
C21 C20 H20 119.4 . . ?
C19 C20 H20 119.4 . . ?
C20 C21 C16 121.1(11) . . ?
C20 C21 H21 119.5 . . ?
C16 C21 H21 119.5 . . ?
C23 C22 C27 113.8(10) . . ?
C23 C22 C19 123.2(9) . . ?
C27 C22 C19 122.8(10) . . ?
C24 C23 C22 124.2(10) . . ?
C24 C23 H23 117.9 . . ?
C22 C23 H23 117.9 . . ?
C23 C24 C25 119.2(10) . . ?
C23 C24 H24 120.4 . . ?
C25 C24 H24 120.4 . . ?
C26 C25 C24 118.0(10) . . ?
C26 C25 C28 123.2(10) . . ?
C24 C25 C28 118.7(10) . . ?
C27 C26 C25 119.5(10) . . ?
C27 C26 H26 120.3 . . ?
C25 C26 H26 120.3 . . ?
C26 C27 C22 124.7(11) . . ?
C26 C27 H27 117.7 . . ?
C22 C27 H27 117.7 . . ?
O7 C28 O8 124.2(10) . . ?
O7 C28 C25 119.3(10) . . ?
O8 C28 C25 116.4(10) . . ?
N1 C29 C30 120.5(10) . . ?
N1 C29 H29 119.8 . . ?
C30 C29 H29 119.8 . . ?
C31 C30 C29 121.3(10) . . ?
C31 C30 H30 119.3 . . ?
C29 C30 H30 119.3 . . ?
C30 C31 C32 117.3(9) . . ?
C30 C31 C34 122.8(10) . . ?
C32 C31 C34 119.9(10) . . ?
C33 C32 C31 117.6(10) . . ?
C33 C32 H32 121.2 . . ?
C31 C32 H32 121.2 . . ?
N1 C33 C32 124.4(10) . . ?
N1 C33 H33 117.8 . . ?
C32 C33 H33 117.8 . . ?
C35 C34 C39 117.0(10) . . ?
C35 C34 C31 123.0(10) . . ?
C39 C34 C31 119.0(9) . . ?
C34 C35 C36 121.9(11) . . ?
C34 C35 H35 119.0 . . ?
C36 C35 H35 119.0 . . ?
C35 C36 C37 118.9(10) . . ?
C35 C36 C51 132.1(11) . . ?
C37 C36 C51 108.9(9) . . ?
C38 C37 C36 121.9(10) . . ?
C38 C37 C40 129.0(11) . . ?
C36 C37 C40 109.0(10) . . ?
C39 C38 C37 116.2(11) . . ?
C39 C38 H38 121.9 . . ?
C37 C38 H38 121.9 . . ?
C38 C39 C34 123.5(10) . . ?
C38 C39 H39 118.2 . . ?
C34 C39 H39 118.2 . . ?
C45 C40 C41 119.1(10) . . ?
C45 C40 C37 132.5(11) . . ?
C41 C40 C37 108.3(10) . . ?
C42 C41 C40 120.9(11) . . ?
C42 C41 C51 132.2(11) . . ?
C40 C41 C51 106.9(9) . . ?
C41 C42 C43 121.1(11) . . ?
C41 C42 H42 119.4 . . ?
C43 C42 H42 119.4 . . ?
C44 C43 C42 118.0(10) . . ?
C44 C43 C46 119.8(10) . . ?
C42 C43 C46 122.0(10) . . ?
C43 C44 C45 123.6(11) . . ?
C43 C44 H44 118.2 . . ?
C45 C44 H44 118.2 . . ?
C40 C45 C44 117.3(11) . . ?
C40 C45 H45 121.4 . . ?
C44 C45 H45 121.4 . . ?
C50 C46 C47 118.9(9) . . ?
C50 C46 C43 119.3(10) . . ?
C47 C46 C43 121.5(10) . . ?
C48 C47 C46 116.8(10) . . ?
C48 C47 H47 121.6 . . ?
C46 C47 H47 121.6 . . ?
N2 C48 C47 125.5(10) . . ?
N2 C48 H48 117.3 . . ?
C47 C48 H48 117.3 . . ?
N2 C49 C50 124.8(10) . . ?
N2 C49 H49 117.6 . . ?
C50 C49 H49 117.6 . . ?
C46 C50 C49 116.5(10) . . ?
C46 C50 H50 121.7 . . ?
C49 C50 H50 121.7 . . ?
O9 C51 C36 127.8(10) . . ?
O9 C51 C41 125.4(10) . . ?
C36 C51 C41 106.9(10) . . ?
C89 C52 C85 120.5(12) . . ?
C89 C52 H52 119.8 . . ?
C85 C52 H52 119.8 . . ?
O14 C53 O13 127.1(10) . . ?
O14 C53 C54 116.0(9) . . ?
O13 C53 C54 116.9(10) . . ?
C59 C54 C55 116.7(10) . . ?
C59 C54 C53 122.9(9) . . ?
C55 C54 C53 120.3(10) . . ?
C56 C55 C54 121.5(10) . . ?
C56 C55 H55 119.3 . . ?
C54 C55 H55 119.3 . . ?
C55 C56 C57 123.8(10) . . ?
C55 C56 H56 118.1 . . ?
C57 C56 H56 118.1 . . ?
C56 C57 C58 115.1(10) . . ?
C56 C57 C60 123.4(9) . . ?
C58 C57 C60 121.5(9) . . ?
C59 C58 C57 123.5(11) . . ?
C59 C58 H58 118.2 . . ?
C57 C58 H58 118.2 . . ?
C58 C59 C54 119.3(10) . . ?
C58 C59 H59 120.4 . . ?
C54 C59 H59 120.4 . . ?
C61 C60 C152 117.9(10) . . ?
C61 C60 C57 121.2(9) . . ?
C152 C60 C57 120.9(8) . . ?
C60 C61 C62 120.3(10) . . ?
C60 C61 H61 119.9 . . ?
C62 C61 H61 119.9 . . ?
C63 C62 C61 122.2(10) . . ?
C63 C62 H62 118.9 . . ?
C61 C62 H62 118.9 . . ?
C62 C63 C64 116.8(10) . . ?
C62 C63 C65 122.2(10) . . ?
C64 C63 C65 120.9(10) . . ?
C152 C64 C63 121.3(10) . . ?
C152 C64 H64 119.4 . . ?
C63 C64 H64 119.4 . . ?
O11 C65 O12 127.4(11) . . ?
O11 C65 C63 116.0(9) . . ?
O12 C65 C63 116.5(10) . . ?
C67 C66 C71 119.3(10) . . ?
C67 C66 C78 119.7(10) . . ?
C71 C66 C78 120.1(10) . . ?
C66 C67 C68 122.6(10) . . ?
C66 C67 H67 118.7 . . ?
C68 C67 H67 118.7 . . ?
C69 C68 C67 119.8(10) . . ?
C69 C68 H68 120.1 . . ?
C67 C68 H68 120.1 . . ?
C68 C69 C70 116.4(10) . . ?
C68 C69 C72 122.3(9) . . ?
C70 C69 C72 120.7(9) . . ?
C71 C70 C69 120.6(10) . . ?
C71 C70 H70 119.7 . . ?
C69 C70 H70 119.7 . . ?
C66 C71 C70 120.5(10) . . ?
C66 C71 H71 119.8 . . ?
C70 C71 H71 119.8 . . ?
C79 C72 C73 116.4(10) . . ?
C79 C72 C69 121.5(9) . . ?
C73 C72 C69 122.1(8) . . ?
C74 C73 C72 121.7(10) . . ?
C74 C73 H73 119.2 . . ?
C72 C73 H73 119.2 . . ?
C73 C74 C75 122.8(10) . . ?
C73 C74 H74 118.6 . . ?
C75 C74 H74 118.6 . . ?
C74 C75 C76 115.7(10) . . ?
C74 C75 C77 123.2(10) . . ?
C76 C75 C77 121.0(10) . . ?
C79 C76 C75 117.7(11) . . ?
C79 C76 H76 121.2 . . ?
C75 C76 H76 121.2 . . ?
O17 C77 O18 126.7(10) . . ?
O17 C77 C75 115.8(10) . . ?
O18 C77 C75 117.5(11) . . ?
O16 C78 O15 122.8(10) . . ?
O16 C78 C66 118.4(10) . . ?
O15 C78 C66 118.7(10) . . ?
C72 C79 C76 124.7(11) . . ?
C72 C79 H79 117.6 . . ?
C76 C79 H79 117.6 . . ?
N3 C80 C81 124.1(10) . . ?
N3 C80 H80 117.9 . . ?
C81 C80 H80 117.9 . . ?
C80 C81 C82 119.5(10) . . ?
C80 C81 H81 120.2 . . ?
C82 C81 H81 120.2 . . ?
C81 C82 C83 117.2(9) . . ?
C81 C82 C85 120.7(9) . . ?
C83 C82 C85 122.1(9) . . ?
C84 C83 C82 119.5(10) . . ?
C84 C83 H83 120.3 . . ?
C82 C83 H83 120.3 . . ?
C83 C84 N3 125.3(10) . . ?
C83 C84 H84 117.4 . . ?
N3 C84 H84 117.4 . . ?
C52 C85 C86 116.1(9) . . ?
C52 C85 C82 123.4(10) . . ?
C86 C85 C82 120.4(9) . . ?
C85 C86 C87 123.4(10) . . ?
C85 C86 H86 118.3 . . ?
C87 C86 H86 118.3 . . ?
C88 C87 C86 117.4(10) . . ?
C88 C87 H87 121.3 . . ?
C86 C87 H87 121.3 . . ?
C87 C88 C89 121.2(10) . . ?
C87 C88 C92 129.7(10) . . ?
C89 C88 C92 109.0(9) . . ?
C88 C89 C52 121.4(11) . . ?
C88 C89 C90 109.9(9) . . ?
C52 C89 C90 128.7(11) . . ?
O19 C90 C91 128.2(10) . . ?
O19 C90 C89 128.2(10) . . ?
C91 C90 C89 103.5(9) . . ?
C96 C91 C92 120.2(10) . . ?
C96 C91 C90 129.7(10) . . ?
C92 C91 C90 110.1(9) . . ?
C93 C92 C91 121.3(9) . . ?
C93 C92 C88 131.2(10) . . ?
C91 C92 C88 107.5(9) . . ?
C92 C93 C94 116.9(10) . . ?
C92 C93 H93 121.6 . . ?
C94 C93 H93 121.6 . . ?
C95 C94 C93 124.1(9) . . ?
C95 C94 H94 118.0 . . ?
C93 C94 H94 118.0 . . ?
C94 C95 C96 118.2(9) . . ?
C94 C95 C97 119.8(9) . . ?
C96 C95 C97 121.9(9) . . ?
C91 C96 C95 119.3(10) . . ?
C91 C96 H96 120.3 . . ?
C95 C96 H96 120.3 . . ?
C101 C97 C98 117.9(9) . . ?
C101 C97 C95 121.5(9) . . ?
C98 C97 C95 120.6(9) . . ?
C99 C98 C97 118.0(9) . . ?
C99 C98 H98 121.0 . . ?
C97 C98 H98 121.0 . . ?
N4 C99 C98 123.7(10) . . ?
N4 C99 H99 118.1 . . ?
C98 C99 H99 118.1 . . ?
N4 C100 C101 123.4(9) . . ?
N4 C100 H100 118.3 . . ?
C101 C100 H100 118.3 . . ?
C97 C101 C100 120.3(9) . . ?
C97 C101 H101 119.8 . . ?
C100 C101 H101 119.8 . . ?
O24 C102 O25 124.3(11) . . ?
O24 C102 C103 115.6(10) . . ?
O25 C102 C103 120.1(11) . . ?
C108 C103 C104 119.1(11) . . ?
C108 C103 C102 121.8(11) . . ?
C104 C103 C102 119.1(10) . . ?
C103 C104 C105 121.5(11) . . ?
C103 C104 H104 119.2 . . ?
C105 C104 H104 119.2 . . ?
C106 C105 C104 118.1(12) . . ?
C106 C105 H105 121.0 . . ?
C104 C105 H105 121.0 . . ?
C105 C106 C107 120.3(11) . . ?
C105 C106 C109 119.6(10) . . ?
C107 C106 C109 120.1(9) . . ?
C106 C107 C108 118.4(10) . . ?
C106 C107 H107 120.8 . . ?
C108 C107 H107 120.8 . . ?
C103 C108 C107 122.3(11) . . ?
C103 C108 H108 118.8 . . ?
C107 C108 H108 118.8 . . ?
C114 C109 C110 116.0(11) . . ?
C114 C109 C106 121.6(10) . . ?
C110 C109 C106 122.4(11) . . ?
C109 C110 C111 122.7(13) . . ?
C109 C110 H110 118.7 . . ?
C111 C110 H110 118.7 . . ?
C112 C111 C110 119.8(11) . . ?
C112 C111 H111 120.1 . . ?
C110 C111 H111 120.1 . . ?
C111 C112 C113 117.5(10) . . ?
C111 C112 C115 122.0(10) . . ?
C113 C112 C115 120.4(11) . . ?
C112 C113 C114 120.4(11) . . ?
C112 C113 H113 119.8 . . ?
C114 C113 H113 119.8 . . ?
C109 C114 C113 122.9(11) . . ?
C109 C114 H114 118.6 . . ?
C113 C114 H114 118.6 . . ?
O26 C115 O27 124.0(11) . . ?
O26 C115 C112 118.8(11) . . ?
O27 C115 C112 117.2(10) . . ?
O20 C116 O21 123.1(11) . . ?
O20 C116 C117 119.4(11) . . ?
O21 C116 C117 117.4(10) . . ?
C118 C117 C122 121.0(10) . . ?
C118 C117 C116 118.5(10) . . ?
C122 C117 C116 119.8(10) . . ?
C117 C118 C119 120.2(10) . . ?
C117 C118 H118 119.9 . . ?
C119 C118 H118 119.9 . . ?
C120 C119 C118 120.8(11) . . ?
C120 C119 H119 119.6 . . ?
C118 C119 H119 119.6 . . ?
C119 C120 C121 117.6(11) . . ?
C119 C120 C123 122.3(10) . . ?
C121 C120 C123 119.7(9) . . ?
C122 C121 C120 119.2(10) . . ?
C122 C121 H121 120.4 . . ?
C120 C121 H121 120.4 . . ?
C117 C122 C121 120.9(10) . . ?
C117 C122 H122 119.6 . . ?
C121 C122 H122 119.6 . . ?
C128 C123 C124 115.3(11) . . ?
C128 C123 C120 124.8(10) . . ?
C124 C123 C120 119.9(10) . . ?
C125 C124 C123 125.4(11) . . ?
C125 C124 H124 117.3 . . ?
C123 C124 H124 117.3 . . ?
C124 C125 C126 118.8(11) . . ?
C124 C125 H125 120.6 . . ?
C126 C125 H125 120.6 . . ?
C127 C126 C125 115.0(10) . . ?
C127 C126 C129 124.0(10) . . ?
C125 C126 C129 120.9(11) . . ?
C128 C127 C126 121.0(10) . . ?
C128 C127 H127 119.5 . . ?
C126 C127 H127 119.5 . . ?
C127 C128 C123 124.3(11) . . ?
C127 C128 H128 117.8 . . ?
C123 C128 H128 117.8 . . ?
O22 C129 O23 126.6(11) . . ?
O22 C129 C126 117.0(10) . . ?
O23 C129 C126 116.3(11) . . ?
C131 C130 N5 124.2(10) . . ?
C131 C130 H130 117.9 . . ?
N5 C130 H130 117.9 . . ?
C130 C131 C132 121.2(10) . . ?
C130 C131 H131 119.4 . . ?
C132 C131 H131 119.4 . . ?
C133 C132 C131 114.7(10) . . ?
C133 C132 C135 124.7(10) . . ?
C131 C132 C135 120.3(10) . . ?
C132 C133 C134 121.9(10) . . ?
C132 C133 H133 119.0 . . ?
C134 C133 H133 119.0 . . ?
N5 C134 C133 123.9(10) . . ?
N5 C134 H134 118.0 . . ?
C133 C134 H134 118.0 . . ?
C136 C135 C140 120.0(10) . . ?
C136 C135 C132 121.4(10) . . ?
C140 C135 C132 118.4(10) . . ?
C135 C136 C137 121.3(11) . . ?
C135 C136 H136 119.3 . . ?
C137 C136 H136 119.3 . . ?
C136 C137 C138 119.0(11) . . ?
C136 C137 C141 131.3(11) . . ?
C138 C137 C141 109.6(10) . . ?
C139 C138 C137 120.7(11) . . ?
C139 C138 C143 129.7(11) . . ?
C137 C138 C143 109.6(10) . . ?
C138 C139 C140 121.0(11) . . ?
C138 C139 H139 119.5 . . ?
C140 C139 H139 119.5 . . ?
C135 C140 C139 117.7(11) . . ?
C135 C140 H140 121.2 . . ?
C139 C140 H140 121.2 . . ?
O10 C141 C137 128.4(10) . . ?
O10 C141 C142 126.2(10) . . ?
C137 C141 C142 105.4(10) . . ?
C146 C142 C143 119.8(11) . . ?
C146 C142 C141 130.4(11) . . ?
C143 C142 C141 109.8(10) . . ?
C144 C143 C142 120.8(10) . . ?
C144 C143 C138 133.6(11) . . ?
C142 C143 C138 105.6(10) . . ?
C143 C144 C153 119.0(11) . . ?
C143 C144 H144 120.5 . . ?
C153 C144 H144 120.5 . . ?
C153 C145 C146 122.7(10) . . ?
C153 C145 C147 119.5(10) . . ?
C146 C145 C147 117.6(11) . . ?
C142 C146 C145 117.0(11) . . ?
C142 C146 H146 121.5 . . ?
C145 C146 H146 121.5 . . ?
C151 C147 C148 116.9(10) . . ?
C151 C147 C145 121.3(10) . . ?
C148 C147 C145 121.4(10) . . ?
C147 C148 C149 122.0(10) . . ?
C147 C148 H148 119.0 . . ?
C149 C148 H148 119.0 . . ?
N6 C149 C148 118.4(9) . . ?
N6 C149 H149 120.8 . . ?
C148 C149 H149 120.8 . . ?
N6 C150 C151 124.6(10) . . ?
N6 C150 H150 117.7 . . ?
C151 C150 H150 117.7 . . ?
C147 C151 C150 119.2(10) . . ?
C147 C151 H151 120.4 . . ?
C150 C151 H151 120.4 . . ?
C64 C152 C60 121.5(10) . . ?
C64 C152 H152 119.3 . . ?
C60 C152 H152 119.3 . . ?
C145 C153 C144 120.5(11) . . ?
C145 C153 H153 119.8 . . ?
C144 C153 H153 119.8 . . ?
C29 N1 C33 118.8(9) . . ?
C29 N1 Zn3 120.2(7) . . ?
C33 N1 Zn3 119.3(7) . . ?
C49 N2 C48 116.8(9) . . ?
C49 N2 Zn4 125.9(7) . 1_456 ?
C48 N2 Zn4 117.2(7) . 1_456 ?
C80 N3 C84 114.4(9) . . ?
C80 N3 Zn1 123.8(7) . . ?
C84 N3 Zn1 121.1(7) . . ?
C99 N4 C100 116.7(9) . . ?
C99 N4 Zn2 126.9(7) . 1_546 ?
C100 N4 Zn2 116.0(7) . 1_546 ?
C134 N5 C130 114.0(9) . . ?
C134 N5 Zn6 125.8(7) . . ?
C130 N5 Zn6 119.4(7) . . ?
C150 N6 C149 118.8(9) . . ?
C150 N6 Zn5 123.8(7) . 1_456 ?
C149 N6 Zn5 116.2(7) . 1_456 ?
C1 O1 Zn4 135.4(7) . 1_455 ?
C1 O2 Zn3 119.6(8) . . ?
C14 O3 Zn4 120.5(8) . . ?
C14 O4 Zn3 130.8(7) . 1_655 ?
C15 O5 Zn4 113.8(8) . . ?
C15 O6 Zn3 139.2(8) . 1_655 ?
C28 O7 Zn4 139.4(7) . 1_545 ?
C28 O8 Zn3 116.3(7) . 1_645 ?
C65 O11 Zn1 141.2(7) . 1_565 ?
C65 O12 Zn2 112.3(8) . . ?
C53 O13 Zn1 117.1(8) . . ?
C53 O14 Zn2 137.1(7) . 1_545 ?
C78 O15 Zn1 119.3(7) . . ?
C78 O16 Zn2 138.9(7) . 1_545 ?
C77 O17 Zn1 133.9(7) . 1_655 ?
C77 O18 Zn2 120.0(8) . 1_645 ?
C116 O20 Zn6 125.0(8) . . ?
C116 O21 Zn5 132.8(7) . 1_455 ?
C129 O22 Zn6 137.3(8) . 1_655 ?
C129 O23 Zn5 116.2(8) . . ?
C102 O24 Zn6 136.7(8) . . ?
C102 O25 Zn5 120.0(8) . 1_455 ?
C115 O26 Zn6 117.5(8) . 1_545 ?
C115 O27 Zn5 139.4(7) . 1_445 ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
C48 H48 O7 0.93 2.50 3.083(12) 120.7 1_466 yes
C83 H83 O9 0.93 2.50 3.269(13) 140.6 1_554 yes
C99 H99 O10 0.93 2.60 3.281(13) 130.6 . yes
C100 H100 O16 0.93 2.60 3.065(12) 111.5 1_556 yes
C134 H134 O19 0.93 2.42 3.147(13) 134.9 . yes

_refine_diff_density_max         0.995
_refine_diff_density_min         -0.597
_refine_diff_density_rms         0.078



