# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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. 
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data_p_sq_d
_database_code_depnum_ccdc_archive 'CCDC 1848723'
loop_
_audit_author_name
_audit_author_address
'Bruker APEX-II CCD'
;Huazhong University of Science and Technology
China
;
_audit_update_record             
;
2018-06-12 deposited with the CCDC.	2019-04-29 downloaded from the CCDC.
;
_audit_creation_date             2018-06-07
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5335)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C154 H84 N22 O28 Zn9'
_chemical_formula_sum            'C154 H84 N22 O28 Zn9'
_chemical_formula_weight         3278.76
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn -1.5491 0.6778 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   25.4598(13)
_cell_length_b                   26.2974(14)
_cell_length_c                   31.8554(17)
_cell_angle_alpha                90.284(3)
_cell_angle_beta                 92.982(3)
_cell_angle_gamma                98.728(3)
_cell_volume                     21050.7(19)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9725
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      59.16
_cell_measurement_theta_min      2.25
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.787
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            violet
_exptl_crystal_colour_primary    violet
_exptl_crystal_density_diffrn    0.517
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3312
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.07
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1168
_diffrn_reflns_av_unetI/netI     0.0917
_diffrn_reflns_Laue_measured_fraction_full 0.975
_diffrn_reflns_Laue_measured_fraction_max 0.975
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            493538
_diffrn_reflns_point_group_measured_fraction_full 0.975
_diffrn_reflns_point_group_measured_fraction_max 0.975
_diffrn_reflns_theta_full        59.389
_diffrn_reflns_theta_max         59.389
_diffrn_reflns_theta_min         2.181
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                36848
_reflns_number_total             59837
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SIR2004 (Burla et al., 2007)'
_refine_diff_density_max         1.516
_refine_diff_density_min         -0.801
_refine_diff_density_rms         0.075
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1920
_refine_ls_number_reflns         59837
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.1374
_refine_ls_R_factor_gt           0.0897
_refine_ls_restrained_S_all      1.086
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1389P)²+7.8417P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2400
_refine_ls_wR_factor_ref         0.2594
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H,H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(N10) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C152) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
3.a Rotating group:
 O25(H25A,H25B), O26(H26A,H26B)
3.b Aromatic/amide H refined with riding coordinates:
 C82(H82), C95(H95), C142(H142), C94(H94), C71(H71), C145(H145), C107(H107),
 C118(H118), C143(H143), C83(H83), C59(H59), C136(H136), C150(H150), C58(H58),
 C119(H119), C70(H70), C106(H106), C131(H131), C130(H130), C47(H47), C124(H124),
  C102(H102), C103(H103), C100(H100), C91(H91), C99(H99), C139(H139), C88(H88),
 C111(H111), C138(H138), C127(H127), C90(H90), C114(H114), C115(H115), C76(H76),
  C112(H112), C10(H10), C66(H66), C123(H123), C64(H64), C135(H135), C87(H87),
 C79(H79), C54(H54), C51(H51), C3(H3), C75(H75), C126(H126), C63(H63), C28(H28),
  C148(H148), C35(H35), C42(H42), C27(H27), C46(H46), C52(H52), C22(H22),
 C78(H78), C31(H31), C152(H152), C67(H67), C34(H34), C55(H55), C30(H30),
 C15(H15), C43(H43), C11(H11), C19(H19), C39(H39), C6(H6), C4(H4), C16(H16),
 C23(H23), C18(H18), C7(H7), C40(H40)
3.c X=CH2 refined with riding coordinates:
 N5(H5A,H5B), N10(H10A,H10B)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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
Zn4 Zn 0.89506(2) 1.13181(2) 0.82260(2) 0.03871(18) Uani 1 1 d . . . . .
Zn7 Zn 0.71246(6) 0.78518(5) 0.48409(4) 0.1610(7) Uani 1 1 d . . . . .
Zn9 Zn 0.95762(2) 1.55271(2) 0.94627(2) 0.03416(18) Uani 1 1 d . . . . .
Zn6 Zn 1.02198(2) 1.99485(2) 1.04408(2) 0.03548(18) Uani 1 1 d . . . . .
Zn2 Zn 0.38529(2) 0.62114(2) 0.82060(2) 0.03820(18) Uani 1 1 d . . . . .
Zn5 Zn 0.50610(2) 1.48094(2) 1.04341(2) 0.03459(18) Uani 1 1 d . . . . .
Zn8 Zn 0.43374(3) 1.07052(3) 0.87563(4) 0.0901(4) Uani 1 1 d . . . . .
Zn1 Zn 0.44101(3) 0.57470(3) 0.73671(2) 0.0554(2) Uani 1 1 d . . . . .
Zn3 Zn 0.93744(3) 1.07585(3) 0.73729(2) 0.0634(2) Uani 1 1 d . . . . .
O23 O 1.00569(13) 1.92088(11) 1.02231(12) 0.0473(9) Uani 1 1 d . . . . .
O14 O 0.48449(15) 1.44092(13) 0.94579(12) 0.0561(10) Uani 1 1 d . . . . .
O17 O 0.58455(12) 1.49031(14) 1.02932(13) 0.0522(10) Uani 1 1 d . . . . .
O16 O 0.05788(13) 1.00878(15) 0.94908(12) 0.0601(11) Uani 1 1 d . . . . .
O9 O 0.40642(14) 0.69530(13) 0.82847(11) 0.0490(9) Uani 1 1 d . . . . .
O28 O 0.38612(13) 0.60913(11) 0.75919(10) 0.0477(9) Uani 1 1 d . . . . .
O19 O 0.92472(13) 1.20288(12) 0.83784(12) 0.0522(10) Uani 1 1 d . . . . .
O15 O 0.09235(12) 1.00415(14) 1.01484(13) 0.0559(10) Uani 1 1 d . . . . .
O18 O 0.57314(13) 1.51807(15) 0.96329(12) 0.0561(10) Uani 1 1 d . . . . .
O53 O 0.90290(12) 1.12868(13) 0.76076(10) 0.0481(9) Uani 1 1 d . . . . .
O24 O 0.97441(14) 1.92649(12) 0.95652(13) 0.0556(10) Uani 1 1 d . . . . .
O13 O 0.49370(16) 1.41431(13) 1.01083(13) 0.0623(11) Uani 1 1 d . . . . .
O20 O 0.90253(13) 1.17399(12) 0.90158(12) 0.0527(10) Uani 1 1 d . . . . .
O11 O 0.81898(13) 1.11447(14) 0.83062(12) 0.0524(10) Uani 1 1 d . . . . .
O1 O 0.59874(19) 0.48402(18) 0.29299(15) 0.0894(15) Uani 1 1 d . . . . .
O10 O 0.3698(3) 0.71218(15) 0.76598(18) 0.130(2) Uani 1 1 d . . . . .
O3 O 0.4955(2) 0.6167(2) 0.70697(17) 0.0887(17) Uani 1 1 d . . . . .
O8 O 1.00311(19) 0.8847(2) 0.29123(16) 0.0943(16) Uani 1 1 d . . . . .
O5 O 0.8954(3) 1.0241(2) 0.7028(2) 0.109(2) Uani 1 1 d . . . . .
O12 O 0.79558(18) 1.1432(3) 0.7693(2) 0.152(3) Uani 1 1 d . . . . .
O6 O 0.8619(3) 1.0849(3) 0.6664(3) 0.191(4) Uani 1 1 d . . . . .
O4 O 0.4278(3) 0.6416(3) 0.66924(19) 0.138(2) Uani 1 1 d . . . . .
O7 O 0.9754(3) 0.9579(3) 0.2948(2) 0.177(3) Uani 1 1 d . . . . .
O2 O 0.5216(2) 0.5065(3) 0.3023(2) 0.150(3) Uani 1 1 d . . . . .
N20 N 0.90901(12) 1.59960(13) 0.97132(13) 0.0363(10) Uani 1 1 d . . . . .
N17 N 0.38799(14) 1.11433(13) 0.90828(14) 0.0441(11) Uani 1 1 d . . . . .
N21 N 1.01916(12) 1.61368(12) 0.95027(12) 0.0290(9) Uani 1 1 d . . . . .
N18 N 0.49508(13) 1.13055(14) 0.87968(14) 0.0464(11) Uani 1 1 d . . . . .
N16 N 0.37687(14) 1.00765(13) 0.88060(13) 0.0408(10) Uani 1 1 d . . . . .
N6 N 0.93167(14) 1.07608(13) 0.84724(14) 0.0374(10) Uani 1 1 d . . . . .
N15 N 0.48393(14) 1.02394(13) 0.85417(13) 0.0438(11) Uani 1 1 d . . . . .
N19 N 0.90107(12) 1.48897(12) 0.95633(12) 0.0304(9) Uani 1 1 d . . . . .
N22 N 1.01202(13) 1.50400(13) 0.93718(11) 0.0318(9) Uani 1 1 d . . . . .
N7 N 0.95655(14) 1.02172(14) 0.89655(14) 0.0433(11) Uani 1 1 d . . . . .
N1 N 0.43877(13) 0.58043(13) 0.84704(14) 0.0353(10) Uani 1 1 d . . . . .
N2 N 0.48490(13) 0.54513(14) 0.89798(13) 0.0405(11) Uani 1 1 d . . . . .
N3 N 0.48701(16) 0.55680(18) 0.78702(14) 0.0549(12) Uani 1 1 d . . . . .
N4 N 0.5610(2) 0.5132(3) 0.80797(19) 0.103(2) Uani 1 1 d . . . . .
N8 N 0.9539(2) 1.02835(16) 0.78585(16) 0.0823(18) Uani 1 1 d . . . . .
N5 N 0.5814(2) 0.4934(2) 0.87646(17) 0.098(2) Uani 1 1 d . . . . .
H5A H 0.6070 0.4781 0.8689 0.118 Uiso 1 1 calc R . . . .
H5B H 0.5747 0.4949 0.9026 0.118 Uiso 1 1 calc R . . . .
C153 C 0.9858(4) 0.9593(3) 0.8435(3) 0.111(3) Uani 1 1 d . . . . .
N10 N 0.9995(4) 0.9247(3) 0.8700(2) 0.158(3) Uani 1 1 d . U . . .
H10A H 1.0107 0.8977 0.8607 0.190 Uiso 1 1 calc R . . . .
H10B H 0.9973 0.9291 0.8966 0.190 Uiso 1 1 calc R . . . .
C110 C 1.14854(17) 1.57589(17) 0.91620(17) 0.0418(13) Uani 1 1 d . . . . .
C120 C 1.01361(15) 1.66342(15) 0.95509(15) 0.0315(11) Uani 1 1 d . . . . .
C86 C 0.25359(17) 1.03983(18) 0.92983(19) 0.0431(13) Uani 1 1 d . . . . .
C122 C 0.97098(15) 1.73897(16) 0.97382(17) 0.0328(12) Uani 1 1 d . . . . .
C93 C 0.32674(16) 1.00685(17) 0.89636(17) 0.0423(14) Uani 1 1 d . . . . .
C132 C 0.85672(16) 1.58515(17) 0.98020(16) 0.0375(12) Uani 1 1 d . . . . .
C84 C 0.33638(17) 1.09860(17) 0.91883(17) 0.0419(13) Uani 1 1 d . . . . .
C81 C 0.40002(17) 1.16442(16) 0.91761(16) 0.0405(13) Uani 1 1 d . . . . .
C108 C 1.06557(16) 1.51736(16) 0.93315(15) 0.0323(11) Uani 1 1 d . . . . .
C144 C 0.90374(15) 1.44057(15) 0.94516(15) 0.0341(12) Uani 1 1 d . . . . .
C72 C 0.49380(17) 1.17942(17) 0.89415(18) 0.0502(15) Uani 1 1 d . . . . .
C101 C 0.94678(18) 1.36668(16) 0.92274(17) 0.0395(13) Uani 1 1 d . . . . .
O25 O 0.4024(2) 1.0924(2) 0.80929(17) 0.1217(19) Uani 1 1 d . . . . .
H25A H 0.3756 1.1072 0.8032 0.183 Uiso 1 1 d GR . . . .
H25B H 0.4150 1.0872 0.7857 0.183 Uiso 1 1 d GR . . . .
C129 C 0.92089(15) 1.65101(15) 0.97833(16) 0.0340(12) Uani 1 1 d . . . . .
C82 C 0.35514(19) 1.18295(17) 0.93430(19) 0.0554(16) Uani 1 1 d . . . . .
H82 H 0.3534 1.2164 0.9431 0.066 Uiso 1 1 calc R . . . .
C105 C 1.00177(16) 1.45169(16) 0.93502(16) 0.0355(12) Uani 1 1 d . . . . .
C134 C 0.77020(17) 1.52956(16) 0.98287(18) 0.0429(14) Uani 1 1 d . . . . .
C125 C 0.98055(15) 1.84576(15) 0.98257(16) 0.0266(11) Uani 1 1 d . . . . .
C95 C 0.32966(19) 0.92584(18) 0.8754(2) 0.0643(19) Uani 1 1 d . . . . .
H95 H 0.3217 0.8906 0.8701 0.077 Uiso 1 1 calc R . . . .
C96 C 0.37847(19) 0.95861(18) 0.86632(19) 0.0558(16) Uani 1 1 d . . . . .
C60 C 0.53630(17) 1.03819(17) 0.84475(18) 0.0452(14) Uani 1 1 d . . . . .
C62 C 0.62115(17) 1.09645(17) 0.83627(18) 0.0380(12) Uani 1 1 d . . . . .
C74 C 0.45612(17) 1.25054(18) 0.92815(18) 0.0410(13) Uani 1 1 d . . . . .
C142 C 0.81789(18) 1.44122(16) 0.95604(18) 0.0510(16) Uani 1 1 d . . . . .
H142 H 0.7815 1.4322 0.9589 0.061 Uiso 1 1 calc R . . . .
C53 C 0.4160(2) 0.88630(17) 0.83651(19) 0.0477(14) Uani 1 1 d . . . . .
C94 C 0.29807(19) 0.95523(18) 0.8928(2) 0.0613(18) Uani 1 1 d . . . . .
H94 H 0.2637 0.9444 0.9010 0.074 Uiso 1 1 calc R . . . .
C71 C 0.54419(18) 1.21069(18) 0.89057(19) 0.0591(17) Uani 1 1 d . . . . .
H71 H 0.5530 1.2452 0.8982 0.071 Uiso 1 1 calc R . . . .
C149 C 0.47785(19) 0.55791(17) 0.82904(17) 0.0385(12) Uani 1 1 d . . . . .
C117 C 1.07054(16) 1.61299(16) 0.93836(16) 0.0370(12) Uani 1 1 d . . . . .
C141 C 0.84922(15) 1.49173(16) 0.96429(16) 0.0359(12) Uani 1 1 d . . . . .
C77 C 0.47451(17) 1.35172(17) 0.95652(17) 0.0357(12) Uani 1 1 d . . . . .
C145 C 0.44522(15) 0.57179(16) 0.88711(15) 0.0276(11) Uani 1 1 d . . . . .
H145 H 0.4239 0.5833 0.9068 0.033 Uiso 1 1 calc R . . . .
C85 C 0.30811(17) 1.04880(17) 0.91394(16) 0.0404(13) Uani 1 1 d . . . . .
C107 C 1.09092(17) 1.47256(16) 0.93121(16) 0.0419(13) Uani 1 1 d . . . . .
H107 H 1.1272 1.4716 0.9304 0.050 Uiso 1 1 calc R . . . .
C118 C 1.09601(17) 1.66590(16) 0.93444(16) 0.0383(12) Uani 1 1 d . . . . .
H118 H 1.1304 1.6762 0.9261 0.046 Uiso 1 1 calc R . . . .
C113 C 1.25176(19) 1.59246(18) 0.88869(19) 0.0500(14) Uani 1 1 d . . . . .
C57 C 0.47146(18) 0.97260(17) 0.84386(18) 0.0453(14) Uani 1 1 d . . . . .
C92 C 0.09518(19) 1.01063(16) 0.97552(19) 0.0354(12) Uani 1 1 d . . . . .
C69 C 0.54491(18) 1.13022(17) 0.86686(18) 0.0500(15) Uani 1 1 d . . . . .
C143 C 0.85128(17) 1.41020(16) 0.94354(17) 0.0432(14) Uani 1 1 d . . . . .
H143 H 0.8425 1.3758 0.9354 0.052 Uiso 1 1 calc R . . . .
C83 C 0.31537(19) 1.14159(17) 0.93479(19) 0.0577(17) Uani 1 1 d . . . . .
H83 H 0.2812 1.1416 0.9438 0.069 Uiso 1 1 calc R . . . .
C133 C 0.82875(16) 1.53578(15) 0.97612(16) 0.0333(12) Uani 1 1 d . . . . .
C59 C 0.55623(19) 0.99470(19) 0.82657(19) 0.0577(17) Uani 1 1 d . . . . .
H59 H 0.5901 0.9946 0.8170 0.069 Uiso 1 1 calc R . . . .
C136 C 0.69382(15) 1.49606(17) 1.02096(16) 0.0365(12) Uani 1 1 d . . . . .
H136 H 0.6793 1.4780 1.0437 0.044 Uiso 1 1 calc R . . . .
C150 C 0.93708(17) 1.06498(18) 0.88764(17) 0.0367(12) Uani 1 1 d . . . . .
H150 H 0.9278 1.0862 0.9086 0.044 Uiso 1 1 calc R . . . .
C58 C 0.51712(19) 0.95516(18) 0.82618(19) 0.0579(17) Uani 1 1 d . . . . .
H58 H 0.5187 0.9221 0.8163 0.069 Uiso 1 1 calc R . . . .
C119 C 1.06232(15) 1.69722(16) 0.94467(16) 0.0380(13) Uani 1 1 d . . . . .
H119 H 1.0683 1.7330 0.9451 0.046 Uiso 1 1 calc R . . . .
C104 C 0.95122(16) 1.42132(16) 0.93591(15) 0.0344(12) Uani 1 1 d . . . . .
C50 C 0.4012(2) 0.78185(19) 0.8136(2) 0.0543(15) Uani 1 1 d . . . . .
C137 C 0.66032(15) 1.51477(17) 0.99172(16) 0.0321(11) Uani 1 1 d . . . . .
C70 C 0.57662(18) 1.18112(18) 0.8741(2) 0.0621(18) Uani 1 1 d . . . . .
H70 H 0.6122 1.1910 0.8684 0.075 Uiso 1 1 calc R . . . .
C109 C 1.09221(15) 1.56855(16) 0.93084(16) 0.0365(12) Uani 1 1 d . . . . .
C106 C 1.05104(17) 1.43126(16) 0.93084(16) 0.0416(13) Uani 1 1 d . . . . .
H106 H 1.0548 1.3968 0.9284 0.050 Uiso 1 1 calc R . . . .
C73 C 0.44956(18) 1.19546(17) 0.91198(18) 0.0496(15) Uani 1 1 d . . . . .
C98 C 0.93041(17) 1.26409(16) 0.89348(16) 0.0359(12) Uani 1 1 d . . . . .
C121 C 0.96855(16) 1.68172(16) 0.96941(17) 0.0397(13) Uani 1 1 d . . . . .
C89 C 0.15059(17) 1.02034(17) 0.96102(19) 0.0413(13) Uani 1 1 d . . . . .
C151 C 0.9504(2) 1.0357(2) 0.82742(19) 0.0570(16) Uani 1 1 d . . . . .
C65 C 0.72771(18) 1.11413(19) 0.8150(2) 0.0484(14) Uani 1 1 d . . . . .
C97 C 0.91901(18) 1.20948(17) 0.87788(17) 0.0343(11) Uani 1 1 d . . . . .
C131 C 0.83646(17) 1.62946(17) 0.99490(18) 0.0481(15) Uani 1 1 d . . . . .
H131 H 0.8024 1.6298 1.0040 0.058 Uiso 1 1 calc R . . . .
C130 C 0.87430(18) 1.66993(17) 0.99348(19) 0.0592(17) Uani 1 1 d . . . . .
H130 H 0.8716 1.7037 1.0007 0.071 Uiso 1 1 calc R . . . .
C61 C 0.56457(18) 1.08753(18) 0.85001(19) 0.0529(16) Uani 1 1 d . . . . .
C56 C 0.42248(18) 0.94172(17) 0.84969(17) 0.0469(14) Uani 1 1 d . . . . .
C47 C 0.6028(4) 0.6458(3) 0.4696(2) 0.129(4) Uani 1 1 d . . . . .
H47 H 0.5874 0.6163 0.4547 0.155 Uiso 1 1 calc R . . . .
C124 C 0.9691(2) 1.82210(18) 0.94452(19) 0.0635(17) Uani 1 1 d . . . . .
H124 H 0.9642 1.8417 0.9208 0.076 Uiso 1 1 calc R . . . .
C102 C 0.92237(19) 1.32681(18) 0.94698(18) 0.0503(14) Uani 1 1 d . . . . .
H102 H 0.9111 1.3345 0.9733 0.060 Uiso 1 1 calc R . . . .
C80 C 0.48592(16) 1.40739(16) 0.9736(2) 0.0327(12) Uani 1 1 d . . . . .
C103 C 0.91440(19) 1.27670(16) 0.93340(17) 0.0465(14) Uani 1 1 d . . . . .
H103 H 0.8984 1.2509 0.9505 0.056 Uiso 1 1 calc R . . . .
C146 C 0.50626(19) 0.5372(2) 0.85978(17) 0.0463(14) Uani 1 1 d . . . . .
C100 C 0.9637(2) 1.35251(18) 0.88416(18) 0.0507(15) Uani 1 1 d . . . . .
H100 H 0.9812 1.3781 0.8676 0.061 Uiso 1 1 calc R . . . .
C91 C 0.20814(19) 1.0278(2) 0.90209(19) 0.0625(17) Uani 1 1 d . . . . .
H91 H 0.2118 1.0258 0.8733 0.075 Uiso 1 1 calc R . . . .
C99 C 0.9558(2) 1.30264(17) 0.86924(18) 0.0486(14) Uani 1 1 d . . . . .
H99 H 0.9675 1.2950 0.8431 0.058 Uiso 1 1 calc R . . . .
N13 N 0.7775(2) 0.8424(2) 0.48445(18) 0.098(2) Uani 1 1 d . . . . .
C139 C 0.73591(17) 1.5487(2) 0.95320(18) 0.0508(15) Uani 1 1 d . . . . .
H139 H 0.7496 1.5664 0.9300 0.061 Uiso 1 1 calc R . . . .
C88 C 0.19532(18) 1.0309(2) 0.98723(19) 0.0612(17) Uani 1 1 d . . . . .
H88 H 0.1915 1.0315 1.0161 0.073 Uiso 1 1 calc R . . . .
C111 C 1.16021(18) 1.55501(18) 0.87898(19) 0.0521(15) Uani 1 1 d . . . . .
H111 H 1.1333 1.5349 0.8628 0.063 Uiso 1 1 calc R . . . .
C128 C 0.98866(17) 1.90246(19) 0.98855(18) 0.0356(12) Uani 1 1 d . . . . .
C138 C 0.68216(18) 1.5411(2) 0.9584(2) 0.0558(16) Uani 1 1 d . . . . .
H138 H 0.6599 1.5544 0.9386 0.067 Uiso 1 1 calc R . . . .
C127 C 0.9827(2) 1.76172(17) 1.01349(18) 0.0481(14) Uani 1 1 d . . . . .
H127 H 0.9867 1.7419 1.0372 0.058 Uiso 1 1 calc R . . . .
C90 C 0.1578(2) 1.0188(2) 0.9183(2) 0.0660(17) Uani 1 1 d . . . . .
H90 H 0.1280 1.0117 0.8998 0.079 Uiso 1 1 calc R . . . .
C114 C 1.24133(17) 1.61308(18) 0.92676(17) 0.0438(13) Uani 1 1 d . . . . .
H114 H 1.2687 1.6327 0.9429 0.053 Uiso 1 1 calc R . . . .
C115 C 1.19080(17) 1.60477(17) 0.94095(17) 0.0411(13) Uani 1 1 d . . . . .
H115 H 1.1842 1.6181 0.9669 0.049 Uiso 1 1 calc R . . . .
C76 C 0.4717(2) 1.34218(19) 0.9136(2) 0.0679(19) Uani 1 1 d . . . . .
H76 H 0.4758 1.3689 0.8945 0.082 Uiso 1 1 calc R . . . .
C112 C 1.21060(19) 1.5631(2) 0.86519(19) 0.0583(16) Uani 1 1 d . . . . .
H112 H 1.2174 1.5487 0.8397 0.070 Uiso 1 1 calc R . . . .
C10 C 0.7297(3) 0.7204(3) 0.3628(2) 0.121(3) Uani 1 1 d . . . . .
H10 H 0.7169 0.6988 0.3402 0.145 Uiso 1 1 calc R . . . .
N11 N 0.6569(2) 0.7223(2) 0.48732(18) 0.097(2) Uani 1 1 d . . . . .
C154 C 0.9658(2) 1.00290(18) 0.85738(17) 0.0492(14) Uani 1 1 d . . . . .
C66 C 0.7141(2) 1.0929(3) 0.8520(2) 0.077(2) Uani 1 1 d . . . . .
H66 H 0.7404 1.0845 0.8710 0.092 Uiso 1 1 calc R . . . .
C33 C 0.7259(3) 0.8431(3) 0.5674(2) 0.115(3) Uani 1 1 d . . . . .
C123 C 0.9647(3) 1.76865(19) 0.94045(19) 0.0658(18) Uani 1 1 d . . . . .
H123 H 0.9572 1.7534 0.9140 0.079 Uiso 1 1 calc R . . . .
C64 C 0.6880(2) 1.1288(4) 0.7884(3) 0.132(4) Uani 1 1 d . . . . .
H64 H 0.6956 1.1453 0.7632 0.159 Uiso 1 1 calc R . . . .
C135 C 0.74867(18) 1.50322(18) 1.01763(18) 0.0453(14) Uani 1 1 d . . . . .
H135 H 0.7706 1.4908 1.0381 0.054 Uiso 1 1 calc R . . . .
C140 C 0.6008(2) 1.50719(17) 0.99401(19) 0.0387(13) Uani 1 1 d . . . . .
C87 C 0.24612(19) 1.0407(2) 0.9726(2) 0.0563(16) Uani 1 1 d . . . . .
H87 H 0.2754 1.0478 0.9915 0.068 Uiso 1 1 calc R . . . .
C147 C 0.5523(2) 0.5146(2) 0.8479(2) 0.0680(18) Uani 1 1 d . . . . .
C79 C 0.4582(3) 1.2615(2) 0.9691(2) 0.072(2) Uani 1 1 d . . . . .
H79 H 0.4534 1.2350 0.9885 0.086 Uiso 1 1 calc R . . . .
C54 C 0.3871(3) 0.8691(2) 0.8006(2) 0.097(3) Uani 1 1 d . . . . .
H54 H 0.3727 0.8925 0.7834 0.116 Uiso 1 1 calc R . . . .
C51 C 0.4304(3) 0.8002(2) 0.8477(2) 0.081(2) Uani 1 1 d . . . . .
H51 H 0.4459 0.7774 0.8649 0.097 Uiso 1 1 calc R . . . .
C3 C 0.6493(4) 0.5617(3) 0.3497(3) 0.116(3) Uani 1 1 d . . . . .
H3 H 0.6688 0.5355 0.3439 0.140 Uiso 1 1 calc R . . . .
C2 C 0.5987(4) 0.5596(3) 0.3347(3) 0.105(3) Uani 1 1 d . . . . .
C75 C 0.4620(2) 1.2893(2) 0.8997(2) 0.0698(19) Uani 1 1 d . . . . .
H75 H 0.4598 1.2815 0.8711 0.084 Uiso 1 1 calc R . . . .
C126 C 0.9882(2) 1.8155(2) 1.0166(2) 0.0593(17) Uani 1 1 d . . . . .
H126 H 0.9974 1.8312 1.0427 0.071 Uiso 1 1 calc R . . . .
C63 C 0.6356(2) 1.1175(4) 0.8016(3) 0.132(4) Uani 1 1 d . . . . .
H63 H 0.6087 1.1261 0.7834 0.158 Uiso 1 1 calc R . . . .
N12 N 0.6996(2) 0.8034(2) 0.54502(17) 0.106(2) Uani 1 1 d . . . . .
C28 C 0.8470(4) 0.9466(3) 0.6508(3) 0.133(4) Uani 1 1 d . . . . .
H28 H 0.8665 0.9374 0.6743 0.159 Uiso 1 1 calc R . . . .
C49 C 0.3913(2) 0.7262(2) 0.8021(2) 0.0581(16) Uani 1 1 d . . . . .
C148 C 0.5309(3) 0.5332(3) 0.7808(2) 0.094(3) Uani 1 1 d . . . . .
H148 H 0.5402 0.5315 0.7530 0.113 Uiso 1 1 calc R . . . .
C5 C 0.6432(4) 0.6401(3) 0.3868(2) 0.099(3) Uani 1 1 d . . . . .
C48 C 0.6429(3) 0.6837(3) 0.4563(2) 0.113(3) Uani 1 1 d . . . . .
C21 C 0.8109(3) 0.8522(3) 0.4538(2) 0.116(3) Uani 1 1 d . . . . .
C116 C 1.30727(19) 1.60442(19) 0.8733(2) 0.0495(15) Uani 1 1 d . . . . .
C9 C 0.7088(3) 0.7192(3) 0.4045(3) 0.110(3) Uani 1 1 d . . . . .
C35 C 0.6606(3) 0.8053(4) 0.6090(3) 0.141(4) Uani 1 1 d . . . . .
H35 H 0.6393 0.7959 0.6314 0.169 Uiso 1 1 calc R . . . .
C68 C 0.7850(2) 1.1254(2) 0.8027(2) 0.0592(16) Uani 1 1 d . . . . .
C42 C 0.4966(5) 0.6952(4) 0.6114(4) 0.169(5) Uani 1 1 d . . . . .
H42 H 0.4609 0.6986 0.6073 0.203 Uiso 1 1 calc R . . . .
C27 C 0.8222(5) 0.9099(4) 0.6191(4) 0.165(5) Uani 1 1 d . . . . .
H27 H 0.8273 0.8758 0.6222 0.198 Uiso 1 1 calc R . . . .
C46 C 0.5911(3) 0.6596(3) 0.5073(3) 0.140(4) Uani 1 1 d . . . . .
H46 H 0.5652 0.6416 0.5234 0.168 Uiso 1 1 calc R . . . .
C52 C 0.4384(3) 0.8518(2) 0.8584(2) 0.084(2) Uani 1 1 d . . . . .
H52 H 0.4605 0.8628 0.8820 0.101 Uiso 1 1 calc R . . . .
C22 C 0.8510(3) 0.8978(3) 0.4686(3) 0.137(4) Uani 1 1 d . . . . .
H22 H 0.8793 0.9131 0.4534 0.164 Uiso 1 1 calc R . . . .
C78 C 0.4675(3) 1.3123(2) 0.9830(2) 0.079(2) Uani 1 1 d . . . . .
H78 H 0.4689 1.3192 1.0118 0.094 Uiso 1 1 calc R . . . .
C38 C 0.5866(4) 0.7128(3) 0.5881(3) 0.093(3) Uani 1 1 d . . . . .
C41 C 0.5138(3) 0.6697(3) 0.6454(3) 0.090(2) Uani 1 1 d . . . . .
C31 C 0.7879(5) 0.9694(4) 0.5803(3) 0.162(5) Uani 1 1 d . . . . .
H31 H 0.7697 0.9790 0.5563 0.194 Uiso 1 1 calc R . . . .
C1 C 0.5708(4) 0.5120(3) 0.3070(2) 0.098(3) Uani 1 1 d . . . . .
C152 C 0.9726(4) 0.9859(3) 0.7776(3) 0.121(3) Uani 1 1 d . U . . .
H152 H 0.9741 0.9787 0.7491 0.146 Uiso 1 1 calc R . . . .
C67 C 0.6615(2) 1.0834(3) 0.8618(2) 0.089(2) Uani 1 1 d . . . . .
H67 H 0.6531 1.0673 0.8870 0.106 Uiso 1 1 calc R . . . .
C29 C 0.8390(3) 0.9965(3) 0.6430(3) 0.096(3) Uani 1 1 d . . . . .
C34 C 0.7003(4) 0.8488(3) 0.6064(3) 0.140(4) Uani 1 1 d . . . . .
H34 H 0.7085 0.8757 0.6259 0.168 Uiso 1 1 calc R . . . .
C13 C 0.8086(3) 0.8299(3) 0.4144(2) 0.104(3) Uani 1 1 d . . . . .
C55 C 0.3788(3) 0.8175(2) 0.7891(2) 0.097(3) Uani 1 1 d . . . . .
H55 H 0.3581 0.8067 0.7649 0.117 Uiso 1 1 calc R . . . .
C30 C 0.8091(4) 1.0086(4) 0.6092(4) 0.177(6) Uani 1 1 d . . . . .
H30 H 0.8026 1.0421 0.6053 0.213 Uiso 1 1 calc R . . . .
C20 C 0.9713(4) 0.9120(3) 0.3012(3) 0.097(3) Uani 1 1 d . . . . .
C15 C 0.8887(4) 0.8196(4) 0.3735(3) 0.126(3) Uani 1 1 d . . . . .
H15 H 0.8890 0.7871 0.3847 0.151 Uiso 1 1 calc R . . . .
C43 C 0.5336(4) 0.7161(4) 0.5828(3) 0.130(3) Uani 1 1 d . . . . .
H43 H 0.5217 0.7328 0.5593 0.156 Uiso 1 1 calc R . . . .
C11 C 0.7696(4) 0.7575(4) 0.3634(3) 0.182(6) Uani 1 1 d . . . . .
H11 H 0.7928 0.7651 0.3419 0.219 Uiso 1 1 calc R . . . .
C26 C 0.7915(4) 0.9218(4) 0.5842(3) 0.098(3) Uani 1 1 d . . . . .
N14 N 0.7338(2) 0.7609(2) 0.42657(19) 0.105(2) Uani 1 1 d . . . . .
C19 C 0.8503(4) 0.8989(5) 0.3673(3) 0.153(4) Uani 1 1 d . . . . .
H19 H 0.8235 0.9178 0.3734 0.184 Uiso 1 1 calc R . . . .
N9 N 0.9895(4) 0.9517(3) 0.8026(2) 0.166(4) Uani 1 1 d . . . . .
C14 C 0.8494(4) 0.8482(4) 0.3843(3) 0.112(3) Uani 1 1 d . . . . .
C32 C 0.8668(4) 1.0378(4) 0.6758(3) 0.103(3) Uani 1 1 d . . . . .
C39 C 0.6030(4) 0.6876(4) 0.6222(4) 0.147(4) Uani 1 1 d . . . . .
H39 H 0.6389 0.6848 0.6259 0.176 Uiso 1 1 calc R . . . .
C44 C 0.4786(3) 0.6393(3) 0.6794(3) 0.093(3) Uani 1 1 d . . . . .
C6 C 0.5886(4) 0.6349(4) 0.3728(4) 0.165(5) Uani 1 1 d . . . . .
H6 H 0.5682 0.6593 0.3813 0.198 Uiso 1 1 calc R . . . .
C24 C 0.7926(3) 0.8763(3) 0.5174(2) 0.103(3) Uani 1 1 d . . . . .
C8 C 0.6661(3) 0.6823(3) 0.4173(2) 0.111(3) Uani 1 1 d . . . . .
C12 C 0.7720(3) 0.7850(3) 0.4029(2) 0.103(3) Uani 1 1 d . . . . .
C45 C 0.6249(3) 0.7074(3) 0.5198(2) 0.104(3) Uani 1 1 d . . . . .
C4 C 0.6718(4) 0.6043(3) 0.3740(3) 0.122(3) Uani 1 1 d . . . . .
H4 H 0.7079 0.6082 0.3818 0.146 Uiso 1 1 calc R . . . .
C16 C 0.9271(3) 0.8392(3) 0.3464(3) 0.112(3) Uani 1 1 d . . . . .
H16 H 0.9531 0.8199 0.3392 0.134 Uiso 1 1 calc R . . . .
C36 C 0.6602(3) 0.7781(3) 0.5682(2) 0.110(3) Uani 1 1 d . . . . .
C23 C 0.8403(3) 0.9120(3) 0.5048(3) 0.115(3) Uani 1 1 d . . . . .
H23 H 0.8587 0.9396 0.5205 0.139 Uiso 1 1 calc R . . . .
C37 C 0.6254(3) 0.7329(3) 0.5570(2) 0.095(3) Uani 1 1 d . . . . .
C25 C 0.7682(3) 0.8811(3) 0.5548(2) 0.099(3) Uani 1 1 d . . . . .
C18 C 0.8896(4) 0.9196(4) 0.3425(3) 0.153(4) Uani 1 1 d . . . . .
H18 H 0.8917 0.9538 0.3345 0.184 Uiso 1 1 calc R . . . .
C7 C 0.5652(3) 0.5947(4) 0.3470(3) 0.135(4) Uani 1 1 d . . . . .
H7 H 0.5294 0.5908 0.3382 0.162 Uiso 1 1 calc R . . . .
C17 C 0.9266(3) 0.8909(3) 0.3290(3) 0.107(3) Uani 1 1 d . . . . .
O21 O 1.34512(13) 1.62228(13) 0.89788(12) 0.0560(10) Uani 1 1 d . . . . .
O22 O 1.31091(13) 1.59592(13) 0.83367(14) 0.0574(10) Uani 1 1 d . . . . .
C40 C 0.5676(3) 0.6651(4) 0.6527(3) 0.138(4) Uani 1 1 d . . . . .
H40 H 0.5797 0.6483 0.6761 0.165 Uiso 1 1 calc R . . . .
O26 O 0.93485(13) 1.56493(13) 0.88098(12) 0.0583(10) Uani 1 1 d . . . . .
H26A H 0.9142 1.5853 0.8712 0.087 Uiso 1 1 d GR . . . .
H26B H 0.9446 1.5505 0.8592 0.087 Uiso 1 1 d GR . . . .


_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
Zn4 O19 1.955(3) . ?
Zn4 O53 1.993(3) . ?
Zn4 O11 1.952(3) . ?
Zn4 N6 1.996(4) . ?
Zn7 N13 2.060(5) . ?
Zn7 N11 2.013(5) . ?
Zn7 N12 2.052(5) . ?
Zn7 N14 2.064(5) . ?
Zn9 N20 2.060(3) . ?
Zn9 N21 2.063(3) . ?
Zn9 N19 2.075(3) . ?
Zn9 N22 2.054(4) . ?
Zn9 O26 2.168(4) . ?
Zn6 Zn6 2.9977(14) 2_797 ?
Zn6 O23 2.037(3) . ?
Zn6 O16 2.044(3) 2_687 ?
Zn6 O15 2.044(3) 1_665 ?
Zn6 O24 2.057(3) 2_797 ?
Zn6 N7 2.009(5) 2_787 ?
Zn2 O9 1.954(3) . ?
Zn2 O28 1.982(3) . ?
Zn2 N1 2.010(4) . ?
Zn2 O22 1.976(3) 1_445 ?
Zn5 Zn5 2.9636(14) 2_687 ?
Zn5 O14 2.058(3) 2_687 ?
Zn5 O17 2.049(3) . ?
Zn5 O18 2.022(3) 2_687 ?
Zn5 O13 2.007(4) . ?
Zn5 N2 2.006(4) 2_677 ?
Zn8 N17 2.071(4) . ?
Zn8 N18 2.044(3) . ?
Zn8 N16 2.038(3) . ?
Zn8 N15 2.039(4) . ?
Zn8 O25 2.326(5) . ?
Zn1 O28 1.941(3) . ?
Zn1 O1 1.928(4) 2_666 ?
Zn1 O3 1.930(5) . ?
Zn1 N3 2.035(5) . ?
Zn3 O53 1.921(3) . ?
Zn3 O8 1.967(4) 2_776 ?
Zn3 O5 1.904(6) . ?
Zn3 N8 2.059(5) . ?
O23 C128 1.209(6) . ?
O14 Zn5 2.058(3) 2_687 ?
O14 C80 1.255(6) . ?
O17 C140 1.277(6) . ?
O16 Zn6 2.044(3) 2_687 ?
O16 C92 1.231(6) . ?
O9 C49 1.257(6) . ?
O19 C97 1.305(6) . ?
O15 Zn6 2.045(3) 1_445 ?
O15 C92 1.269(6) . ?
O18 Zn5 2.022(3) 2_687 ?
O18 C140 1.236(6) . ?
O24 Zn6 2.057(3) 2_797 ?
O24 C128 1.269(6) . ?
O13 C80 1.202(6) . ?
O20 C97 1.240(5) . ?
O11 C68 1.273(7) . ?
O1 Zn1 1.928(4) 2_666 ?
O1 C1 1.197(9) . ?
O10 C49 1.276(7) . ?
O3 C44 1.163(10) . ?
O8 Zn3 1.967(4) 2_776 ?
O8 C20 1.214(9) . ?
O5 C32 1.190(11) . ?
O12 C68 1.193(7) . ?
O6 C32 1.299(12) . ?
O4 C44 1.328(10) . ?
O7 C20 1.215(9) . ?
O2 C1 1.241(9) . ?
N20 C132 1.372(5) . ?
N20 C129 1.355(5) . ?
N17 C84 1.376(5) . ?
N17 C81 1.335(5) . ?
N21 C120 1.346(5) . ?
N21 C117 1.384(5) . ?
N18 C72 1.369(5) . ?
N18 C69 1.354(6) . ?
N16 C93 1.393(5) . ?
N16 C96 1.373(6) . ?
N6 C150 1.326(6) . ?
N6 C151 1.390(6) . ?
N15 C60 1.378(5) . ?
N15 C57 1.373(5) . ?
N19 C144 1.333(5) . ?
N19 C141 1.370(5) . ?
N22 C108 1.368(5) . ?
N22 C105 1.361(5) . ?
N7 Zn6 2.009(5) 2_787 ?
N7 C150 1.334(6) . ?
N7 C154 1.385(6) . ?
N1 C149 1.380(6) . ?
N1 C145 1.304(5) . ?
N2 Zn5 2.006(4) 2_677 ?
N2 C145 1.347(5) . ?
N2 C146 1.386(6) . ?
N3 C149 1.372(6) . ?
N3 C148 1.381(8) . ?
N4 C147 1.305(8) . ?
N4 C148 1.292(9) . ?
N8 C151 1.347(7) . ?
N8 C152 1.309(8) . ?
N5 H5A 0.8600 . ?
N5 H5B 0.8600 . ?
N5 C147 1.320(7) . ?
C153 N10 1.318(9) . ?
C153 C154 1.400(7) . ?
C153 N9 1.329(9) . ?
N10 H10A 0.8600 . ?
N10 H10B 0.8600 . ?
C110 C109 1.516(6) . ?
C110 C111 1.369(7) . ?
C110 C115 1.419(6) . ?
C120 C119 1.466(6) . ?
C120 C121 1.406(6) . ?
C86 C85 1.488(6) . ?
C86 C91 1.414(7) . ?
C86 C87 1.385(7) . ?
C122 C121 1.503(6) . ?
C122 C127 1.394(7) . ?
C122 C123 1.339(7) . ?
C93 C94 1.441(6) . ?
C93 C85 1.392(6) . ?
C132 C133 1.385(6) . ?
C132 C131 1.430(6) . ?
C84 C85 1.399(6) . ?
C84 C83 1.424(6) . ?
C81 C82 1.434(6) . ?
C81 C73 1.415(6) . ?
C108 C107 1.429(6) . ?
C108 C109 1.417(6) . ?
C144 C143 1.447(6) . ?
C144 C104 1.423(6) . ?
C72 C71 1.425(6) . ?
C72 C73 1.406(6) . ?
C101 C104 1.481(6) . ?
C101 C102 1.394(7) . ?
C101 C100 1.391(7) . ?
O25 H25A 0.8516 . ?
O25 H25B 0.8520 . ?
C129 C121 1.395(6) . ?
C129 C130 1.457(6) . ?
C82 H82 0.9300 . ?
C82 C83 1.370(6) . ?
C105 C104 1.410(6) . ?
C105 C106 1.449(6) . ?
C134 C133 1.501(6) . ?
C134 C139 1.400(7) . ?
C134 C135 1.401(7) . ?
C125 C124 1.357(7) . ?
C125 C128 1.484(6) . ?
C125 C126 1.370(7) . ?
C95 H95 0.9300 . ?
C95 C96 1.444(6) . ?
C95 C94 1.334(6) . ?
C96 C56 1.394(6) . ?
C60 C59 1.449(6) . ?
C60 C61 1.390(6) . ?
C62 C61 1.512(6) . ?
C62 C63 1.282(9) . ?
C62 C67 1.363(8) . ?
C74 C73 1.517(6) . ?
C74 C79 1.332(7) . ?
C74 C75 1.364(8) . ?
C142 H142 0.9300 . ?
C142 C141 1.457(6) . ?
C142 C143 1.337(6) . ?
C53 C56 1.497(6) . ?
C53 C54 1.365(8) . ?
C53 C52 1.328(8) . ?
C94 H94 0.9300 . ?
C71 H71 0.9300 . ?
C71 C70 1.341(6) . ?
C149 C146 1.353(7) . ?
C117 C118 1.452(6) . ?
C117 C109 1.391(6) . ?
C141 C133 1.398(6) . ?
C77 C80 1.539(6) . ?
C77 C76 1.384(8) . ?
C77 C78 1.336(7) . ?
C145 H145 0.9300 . ?
C107 H107 0.9300 . ?
C107 C106 1.369(6) . ?
C118 H118 0.9300 . ?
C118 C119 1.327(6) . ?
C113 C114 1.381(7) . ?
C113 C112 1.386(7) . ?
C113 C116 1.508(7) . ?
C57 C58 1.451(6) . ?
C57 C56 1.402(6) . ?
C92 C89 1.493(6) . ?
C69 C70 1.465(6) . ?
C69 C61 1.411(6) . ?
C143 H143 0.9300 . ?
C83 H83 0.9300 . ?
C59 H59 0.9300 . ?
C59 C58 1.326(6) . ?
C136 H136 0.9300 . ?
C136 C137 1.374(6) . ?
C136 C135 1.390(6) . ?
C150 H150 0.9300 . ?
C58 H58 0.9300 . ?
C119 H119 0.9300 . ?
C50 C51 1.330(8) . ?
C50 C49 1.488(7) . ?
C50 C55 1.392(8) . ?
C137 C138 1.368(7) . ?
C137 C140 1.503(6) . ?
C70 H70 0.9300 . ?
C106 H106 0.9300 . ?
C98 C97 1.498(6) . ?
C98 C103 1.408(7) . ?
C98 C99 1.380(7) . ?
C89 C88 1.369(7) . ?
C89 C90 1.383(7) . ?
C151 C154 1.371(8) . ?
C65 C66 1.346(8) . ?
C65 C64 1.386(9) . ?
C65 C68 1.514(7) . ?
C131 H131 0.9300 . ?
C131 C130 1.326(6) . ?
C130 H130 0.9300 . ?
C47 H47 0.9300 . ?
C47 C48 1.399(9) . ?
C47 C46 1.313(9) . ?
C124 H124 0.9300 . ?
C124 C123 1.398(7) . ?
C102 H102 0.9300 . ?
C102 C103 1.367(6) . ?
C103 H103 0.9300 . ?
C146 C147 1.459(7) . ?
C100 H100 0.9300 . ?
C100 C99 1.375(6) . ?
C91 H91 0.9300 . ?
C91 C90 1.395(7) . ?
C99 H99 0.9300 . ?
N13 C21 1.330(8) . ?
N13 C24 1.375(8) . ?
C139 H139 0.9300 . ?
C139 C138 1.371(6) . ?
C88 H88 0.9300 . ?
C88 C87 1.386(7) . ?
C111 H111 0.9300 . ?
C111 C112 1.364(7) . ?
C138 H138 0.9300 . ?
C127 H127 0.9300 . ?
C127 C126 1.402(7) . ?
C90 H90 0.9300 . ?
C114 H114 0.9300 . ?
C114 C115 1.372(6) . ?
C115 H115 0.9300 . ?
C76 H76 0.9300 . ?
C76 C75 1.439(7) . ?
C112 H112 0.9300 . ?
C10 H10 0.9300 . ?
C10 C9 1.454(9) . ?
C10 C11 1.295(9) . ?
N11 C48 1.405(7) . ?
N11 C45 1.372(8) . ?
C66 H66 0.9300 . ?
C66 C67 1.377(7) . ?
C33 N12 1.333(7) . ?
C33 C34 1.451(9) . ?
C33 C25 1.430(8) . ?
C123 H123 0.9300 . ?
C64 H64 0.9300 . ?
C64 C63 1.411(8) . ?
C135 H135 0.9300 . ?
C87 H87 0.9300 . ?
C79 H79 0.9300 . ?
C79 C78 1.388(7) . ?
C54 H54 0.9300 . ?
C54 C55 1.384(8) . ?
C51 H51 0.9300 . ?
C51 C52 1.380(7) . ?
C3 H3 0.9300 . ?
C3 C2 1.345(11) . ?
C3 C4 1.390(9) . ?
C2 C1 1.583(9) . ?
C2 C7 1.414(11) . ?
C75 H75 0.9300 . ?
C126 H126 0.9300 . ?
C63 H63 0.9300 . ?
N12 C36 1.368(7) . ?
C28 H28 0.9300 . ?
C28 C27 1.444(12) . ?
C28 C29 1.379(11) . ?
C148 H148 0.9300 . ?
C5 C6 1.425(12) . ?
C5 C8 1.498(8) . ?
C5 C4 1.347(11) . ?
C48 C8 1.407(9) . ?
C21 C22 1.507(9) . ?
C21 C13 1.378(9) . ?
C116 O21 1.242(6) . ?
C116 O22 1.292(7) . ?
C9 N14 1.354(8) . ?
C9 C8 1.422(9) . ?
C35 H35 0.9300 . ?
C35 C34 1.414(9) . ?
C35 C36 1.480(9) . ?
C42 H42 0.9300 . ?
C42 C41 1.364(12) . ?
C42 C43 1.398(11) . ?
C27 H27 0.9300 . ?
C27 C26 1.389(14) . ?
C46 H46 0.9300 . ?
C46 C45 1.453(9) . ?
C52 H52 0.9300 . ?
C22 H22 0.9300 . ?
C22 C23 1.267(9) . ?
C78 H78 0.9300 . ?
C38 C43 1.367(11) . ?
C38 C39 1.354(12) . ?
C38 C37 1.479(9) . ?
C41 C44 1.584(11) . ?
C41 C40 1.402(11) . ?
C31 H31 0.9300 . ?
C31 C30 1.404(12) . ?
C31 C26 1.277(12) . ?
C152 H152 0.9300 . ?
C152 N9 1.308(10) . ?
C67 H67 0.9300 . ?
C29 C30 1.353(12) . ?
C29 C32 1.568(10) . ?
C34 H34 0.9300 . ?
C13 C14 1.479(9) . ?
C13 C12 1.422(9) . ?
C55 H55 0.9300 . ?
C30 H30 0.9300 . ?
C20 C17 1.518(11) . ?
C15 H15 0.9300 . ?
C15 C14 1.394(12) . ?
C15 C16 1.382(10) . ?
C43 H43 0.9300 . ?
C11 H11 0.9300 . ?
C11 C12 1.442(9) . ?
C26 C25 1.453(9) . ?
N14 C12 1.345(8) . ?
C19 H19 0.9300 . ?
C19 C14 1.440(13) . ?
C19 C18 1.359(11) . ?
C39 H39 0.9300 . ?
C39 C40 1.428(11) . ?
C6 H6 0.9300 . ?
C6 C7 1.377(10) . ?
C24 C23 1.492(9) . ?
C24 C25 1.387(8) . ?
C45 C37 1.359(8) . ?
C4 H4 0.9300 . ?
C16 H16 0.9300 . ?
C16 C17 1.471(11) . ?
C36 C37 1.401(8) . ?
C23 H23 0.9300 . ?
C18 H18 0.9300 . ?
C18 C17 1.378(11) . ?
C7 H7 0.9300 . ?
O22 Zn2 1.976(3) 1_665 ?
C40 H40 0.9300 . ?
O26 H26A 0.8548 . ?
O26 H26B 0.8547 . ?

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
O19 Zn4 O53 103.60(15) . . ?
O19 Zn4 N6 117.61(15) . . ?
O53 Zn4 N6 106.21(16) . . ?
O11 Zn4 O19 113.99(14) . . ?
O11 Zn4 O53 105.94(15) . . ?
O11 Zn4 N6 108.45(15) . . ?
N13 Zn7 N14 88.3(2) . . ?
N11 Zn7 N13 171.1(3) . . ?
N11 Zn7 N12 89.3(2) . . ?
N11 Zn7 N14 90.7(2) . . ?
N12 Zn7 N13 90.38(19) . . ?
N12 Zn7 N14 171.5(3) . . ?
N20 Zn9 N21 88.87(12) . . ?
N20 Zn9 N19 89.86(13) . . ?
N20 Zn9 O26 96.11(15) . . ?
N21 Zn9 N19 167.00(15) . . ?
N21 Zn9 O26 95.18(14) . . ?
N19 Zn9 O26 97.81(14) . . ?
N22 Zn9 N20 165.30(16) . . ?
N22 Zn9 N21 89.13(12) . . ?
N22 Zn9 N19 88.82(12) . . ?
N22 Zn9 O26 98.58(14) . . ?
O23 Zn6 Zn6 76.31(11) . 2_797 ?
O23 Zn6 O16 87.18(14) . 2_687 ?
O23 Zn6 O15 89.89(14) . 1_665 ?
O23 Zn6 O24 157.90(15) . 2_797 ?
O16 Zn6 Zn6 76.61(11) 2_687 2_797 ?
O16 Zn6 O15 158.46(16) 2_687 1_665 ?
O16 Zn6 O24 86.65(15) 2_687 2_797 ?
O15 Zn6 Zn6 81.96(12) 1_665 2_797 ?
O15 Zn6 O24 88.12(15) 1_665 2_797 ?
O24 Zn6 Zn6 81.61(12) 2_797 2_797 ?
N7 Zn6 Zn6 171.41(10) 2_787 2_797 ?
N7 Zn6 O23 96.73(14) 2_787 . ?
N7 Zn6 O16 98.25(15) 2_787 2_687 ?
N7 Zn6 O15 103.29(16) 2_787 1_665 ?
N7 Zn6 O24 105.16(15) 2_787 2_797 ?
O9 Zn2 O28 104.99(14) . . ?
O9 Zn2 N1 112.57(15) . . ?
O9 Zn2 O22 114.21(15) . 1_445 ?
O28 Zn2 N1 105.79(15) . . ?
O22 Zn2 O28 103.78(16) 1_445 . ?
O22 Zn2 N1 114.23(15) 1_445 . ?
O14 Zn5 Zn5 79.03(11) 2_687 2_687 ?
O17 Zn5 Zn5 81.85(11) . 2_687 ?
O17 Zn5 O14 87.65(14) . 2_687 ?
O18 Zn5 Zn5 77.87(11) 2_687 2_687 ?
O18 Zn5 O14 87.71(15) 2_687 2_687 ?
O18 Zn5 O17 159.70(15) 2_687 . ?
O13 Zn5 Zn5 79.38(12) . 2_687 ?
O13 Zn5 O14 158.41(16) . 2_687 ?
O13 Zn5 O17 89.39(15) . . ?
O13 Zn5 O18 87.69(16) . 2_687 ?
N2 Zn5 Zn5 179.39(11) 2_677 2_687 ?
N2 Zn5 O14 101.21(15) 2_677 2_687 ?
N2 Zn5 O17 97.59(15) 2_677 . ?
N2 Zn5 O18 102.70(15) 2_677 2_687 ?
N2 Zn5 O13 100.38(16) 2_677 . ?
N17 Zn8 O25 95.25(18) . . ?
N18 Zn8 N17 89.26(14) . . ?
N18 Zn8 O25 94.39(19) . . ?
N16 Zn8 N17 89.96(14) . . ?
N16 Zn8 N18 171.09(19) . . ?
N16 Zn8 N15 89.29(14) . . ?
N16 Zn8 O25 94.52(19) . . ?
N15 Zn8 N17 169.45(18) . . ?
N15 Zn8 N18 89.85(14) . . ?
N15 Zn8 O25 95.30(19) . . ?
O28 Zn1 N3 106.30(15) . . ?
O1 Zn1 O28 103.46(17) 2_666 . ?
O1 Zn1 O3 117.2(2) 2_666 . ?
O1 Zn1 N3 114.4(2) 2_666 . ?
O3 Zn1 O28 116.9(2) . . ?
O3 Zn1 N3 98.5(2) . . ?
O53 Zn3 O8 102.95(19) . 2_776 ?
O53 Zn3 N8 106.97(17) . . ?
O8 Zn3 N8 119.0(2) 2_776 . ?
O5 Zn3 O53 118.1(2) . . ?
O5 Zn3 O8 113.9(2) . 2_776 ?
O5 Zn3 N8 96.6(2) . . ?
C128 O23 Zn6 132.3(3) . . ?
C80 O14 Zn5 125.4(3) . 2_687 ?
C140 O17 Zn5 122.9(3) . . ?
C92 O16 Zn6 130.8(4) . 2_687 ?
C49 O9 Zn2 120.5(3) . . ?
Zn1 O28 Zn2 119.93(18) . . ?
C97 O19 Zn4 108.2(3) . . ?
C92 O15 Zn6 122.9(3) . 1_445 ?
C140 O18 Zn5 130.3(3) . 2_687 ?
Zn3 O53 Zn4 119.75(19) . . ?
C128 O24 Zn6 122.8(3) . 2_797 ?
C80 O13 Zn5 128.8(3) . . ?
C68 O11 Zn4 120.6(4) . . ?
C1 O1 Zn1 112.9(5) . 2_666 ?
C44 O3 Zn1 113.3(5) . . ?
C20 O8 Zn3 111.4(5) . 2_776 ?
C32 O5 Zn3 117.5(6) . . ?
C132 N20 Zn9 125.8(3) . . ?
C129 N20 Zn9 126.6(3) . . ?
C129 N20 C132 107.3(3) . . ?
C84 N17 Zn8 125.4(3) . . ?
C81 N17 Zn8 126.5(3) . . ?
C81 N17 C84 107.5(4) . . ?
C120 N21 Zn9 125.3(3) . . ?
C120 N21 C117 106.8(3) . . ?
C117 N21 Zn9 126.1(3) . . ?
C72 N18 Zn8 127.4(3) . . ?
C69 N18 Zn8 126.4(3) . . ?
C69 N18 C72 106.2(3) . . ?
C93 N16 Zn8 126.5(3) . . ?
C96 N16 Zn8 127.2(3) . . ?
C96 N16 C93 106.1(3) . . ?
C150 N6 Zn4 126.7(3) . . ?
C150 N6 C151 103.0(4) . . ?
C151 N6 Zn4 129.7(4) . . ?
C60 N15 Zn8 127.0(3) . . ?
C57 N15 Zn8 126.8(3) . . ?
C57 N15 C60 106.0(4) . . ?
C144 N19 Zn9 126.2(3) . . ?
C144 N19 C141 107.6(3) . . ?
C141 N19 Zn9 123.9(3) . . ?
C108 N22 Zn9 127.1(3) . . ?
C105 N22 Zn9 126.4(3) . . ?
C105 N22 C108 106.5(3) . . ?
C150 N7 Zn6 121.1(3) . 2_787 ?
C150 N7 C154 103.3(4) . . ?
C154 N7 Zn6 134.3(3) . 2_787 ?
C149 N1 Zn2 130.1(4) . . ?
C145 N1 Zn2 125.6(3) . . ?
C145 N1 C149 104.3(4) . . ?
C145 N2 Zn5 121.0(3) . 2_677 ?
C145 N2 C146 102.8(4) . . ?
C146 N2 Zn5 135.4(3) . 2_677 ?
C149 N3 Zn1 129.6(3) . . ?
C149 N3 C148 110.0(5) . . ?
C148 N3 Zn1 119.8(4) . . ?
C148 N4 C147 120.6(6) . . ?
C151 N8 Zn3 128.4(4) . . ?
C152 N8 Zn3 119.5(5) . . ?
C152 N8 C151 112.0(6) . . ?
H5A N5 H5B 120.0 . . ?
C147 N5 H5A 120.0 . . ?
C147 N5 H5B 120.0 . . ?
N10 C153 C154 121.7(7) . . ?
N10 C153 N9 118.9(6) . . ?
N9 C153 C154 119.4(7) . . ?
C153 N10 H10A 120.0 . . ?
C153 N10 H10B 120.0 . . ?
H10A N10 H10B 120.0 . . ?
C111 C110 C109 121.3(4) . . ?
C111 C110 C115 118.1(4) . . ?
C115 C110 C109 120.6(4) . . ?
N21 C120 C119 110.7(3) . . ?
N21 C120 C121 125.9(4) . . ?
C121 C120 C119 123.3(4) . . ?
C91 C86 C85 121.3(5) . . ?
C87 C86 C85 120.7(4) . . ?
C87 C86 C91 118.0(4) . . ?
C127 C122 C121 118.7(5) . . ?
C123 C122 C121 121.7(5) . . ?
C123 C122 C127 119.5(4) . . ?
N16 C93 C94 109.0(4) . . ?
C85 C93 N16 125.4(4) . . ?
C85 C93 C94 125.6(4) . . ?
N20 C132 C133 125.5(4) . . ?
N20 C132 C131 108.5(4) . . ?
C133 C132 C131 126.0(4) . . ?
N17 C84 C85 126.0(4) . . ?
N17 C84 C83 109.1(4) . . ?
C85 C84 C83 124.8(4) . . ?
N17 C81 C82 110.2(4) . . ?
N17 C81 C73 125.7(4) . . ?
C73 C81 C82 124.1(4) . . ?
N22 C108 C107 110.7(4) . . ?
N22 C108 C109 124.7(4) . . ?
C109 C108 C107 124.6(4) . . ?
N19 C144 C143 110.3(3) . . ?
N19 C144 C104 125.1(4) . . ?
C104 C144 C143 124.6(4) . . ?
N18 C72 C71 110.5(4) . . ?
N18 C72 C73 124.3(4) . . ?
C73 C72 C71 125.1(4) . . ?
C102 C101 C104 122.0(4) . . ?
C100 C101 C104 121.7(4) . . ?
C100 C101 C102 116.2(4) . . ?
Zn8 O25 H25A 127.7 . . ?
Zn8 O25 H25B 127.8 . . ?
H25A O25 H25B 104.5 . . ?
N20 C129 C121 125.6(4) . . ?
N20 C129 C130 109.1(3) . . ?
C121 C129 C130 125.1(4) . . ?
C81 C82 H82 126.8 . . ?
C83 C82 C81 106.4(4) . . ?
C83 C82 H82 126.8 . . ?
N22 C105 C104 126.0(4) . . ?
N22 C105 C106 109.6(3) . . ?
C104 C105 C106 124.4(4) . . ?
C139 C134 C133 119.8(5) . . ?
C139 C134 C135 118.9(4) . . ?
C135 C134 C133 121.3(5) . . ?
C124 C125 C128 123.4(5) . . ?
C124 C125 C126 117.7(4) . . ?
C126 C125 C128 118.8(4) . . ?
C96 C95 H95 126.2 . . ?
C94 C95 H95 126.2 . . ?
C94 C95 C96 107.6(4) . . ?
N16 C96 C95 109.5(4) . . ?
N16 C96 C56 125.3(4) . . ?
C56 C96 C95 124.9(4) . . ?
N15 C60 C59 109.6(4) . . ?
N15 C60 C61 124.8(4) . . ?
C61 C60 C59 125.5(4) . . ?
C63 C62 C61 124.6(6) . . ?
C63 C62 C67 114.9(5) . . ?
C67 C62 C61 120.4(5) . . ?
C79 C74 C73 121.5(5) . . ?
C79 C74 C75 120.0(5) . . ?
C75 C74 C73 118.4(5) . . ?
C141 C142 H142 126.4 . . ?
C143 C142 H142 126.4 . . ?
C143 C142 C141 107.1(4) . . ?
C54 C53 C56 121.1(5) . . ?
C52 C53 C56 122.2(5) . . ?
C52 C53 C54 116.7(5) . . ?
C93 C94 H94 126.1 . . ?
C95 C94 C93 107.7(4) . . ?
C95 C94 H94 126.1 . . ?
C72 C71 H71 126.3 . . ?
C70 C71 C72 107.3(4) . . ?
C70 C71 H71 126.3 . . ?
N3 C149 N1 126.1(5) . . ?
C146 C149 N1 108.8(4) . . ?
C146 C149 N3 125.2(4) . . ?
N21 C117 C118 108.0(4) . . ?
N21 C117 C109 124.6(4) . . ?
C109 C117 C118 127.4(4) . . ?
N19 C141 C142 108.3(4) . . ?
N19 C141 C133 126.4(4) . . ?
C133 C141 C142 125.2(4) . . ?
C76 C77 C80 120.1(5) . . ?
C78 C77 C80 120.2(5) . . ?
C78 C77 C76 119.6(5) . . ?
N1 C145 N2 115.4(4) . . ?
N1 C145 H145 122.3 . . ?
N2 C145 H145 122.3 . . ?
C93 C85 C86 117.3(4) . . ?
C93 C85 C84 125.9(4) . . ?
C84 C85 C86 116.8(4) . . ?
C108 C107 H107 126.9 . . ?
C106 C107 C108 106.2(4) . . ?
C106 C107 H107 126.9 . . ?
C117 C118 H118 125.4 . . ?
C119 C118 C117 109.1(4) . . ?
C119 C118 H118 125.4 . . ?
C114 C113 C112 119.1(4) . . ?
C114 C113 C116 118.7(5) . . ?
C112 C113 C116 122.2(5) . . ?
N15 C57 C58 109.2(4) . . ?
N15 C57 C56 125.5(4) . . ?
C56 C57 C58 125.3(4) . . ?
O16 C92 O15 127.2(5) . . ?
O16 C92 C89 118.5(5) . . ?
O15 C92 C89 114.3(5) . . ?
N18 C69 C70 109.6(4) . . ?
N18 C69 C61 126.0(4) . . ?
C61 C69 C70 124.3(4) . . ?
C144 C143 H143 126.7 . . ?
C142 C143 C144 106.6(4) . . ?
C142 C143 H143 126.7 . . ?
C84 C83 H83 126.6 . . ?
C82 C83 C84 106.8(4) . . ?
C82 C83 H83 126.6 . . ?
C132 C133 C134 116.7(4) . . ?
C132 C133 C141 126.3(4) . . ?
C141 C133 C134 117.0(3) . . ?
C60 C59 H59 126.4 . . ?
C58 C59 C60 107.1(4) . . ?
C58 C59 H59 126.4 . . ?
C137 C136 H136 118.9 . . ?
C137 C136 C135 122.1(4) . . ?
C135 C136 H136 118.9 . . ?
N6 C150 N7 116.3(4) . . ?
N6 C150 H150 121.8 . . ?
N7 C150 H150 121.8 . . ?
C57 C58 H58 126.1 . . ?
C59 C58 C57 107.9(4) . . ?
C59 C58 H58 126.1 . . ?
C120 C119 H119 127.3 . . ?
C118 C119 C120 105.4(4) . . ?
C118 C119 H119 127.3 . . ?
C144 C104 C101 118.0(4) . . ?
C105 C104 C144 124.4(4) . . ?
C105 C104 C101 117.3(4) . . ?
C51 C50 C49 122.7(6) . . ?
C51 C50 C55 116.5(5) . . ?
C55 C50 C49 120.8(6) . . ?
C136 C137 C140 123.6(4) . . ?
C138 C137 C136 118.3(4) . . ?
C138 C137 C140 118.1(5) . . ?
C71 C70 C69 106.3(4) . . ?
C71 C70 H70 126.8 . . ?
C69 C70 H70 126.8 . . ?
C108 C109 C110 117.1(4) . . ?
C117 C109 C110 116.6(4) . . ?
C117 C109 C108 126.1(4) . . ?
C105 C106 H106 126.6 . . ?
C107 C106 C105 106.7(4) . . ?
C107 C106 H106 126.6 . . ?
C81 C73 C74 116.9(4) . . ?
C72 C73 C81 126.0(4) . . ?
C72 C73 C74 117.1(4) . . ?
C103 C98 C97 119.7(4) . . ?
C99 C98 C97 121.2(4) . . ?
C99 C98 C103 119.1(4) . . ?
C120 C121 C122 117.6(4) . . ?
C129 C121 C120 125.1(4) . . ?
C129 C121 C122 117.2(4) . . ?
C88 C89 C92 124.4(5) . . ?
C88 C89 C90 117.2(5) . . ?
C90 C89 C92 118.4(5) . . ?
N8 C151 N6 127.5(6) . . ?
N8 C151 C154 123.5(5) . . ?
C154 C151 N6 108.9(5) . . ?
C66 C65 C64 118.4(5) . . ?
C66 C65 C68 122.3(6) . . ?
C64 C65 C68 119.2(6) . . ?
O19 C97 C98 115.4(4) . . ?
O20 C97 O19 123.4(4) . . ?
O20 C97 C98 121.0(5) . . ?
C132 C131 H131 125.6 . . ?
C130 C131 C132 108.7(4) . . ?
C130 C131 H131 125.6 . . ?
C129 C130 H130 126.8 . . ?
C131 C130 C129 106.4(4) . . ?
C131 C130 H130 126.8 . . ?
C60 C61 C62 117.3(4) . . ?
C60 C61 C69 125.6(4) . . ?
C69 C61 C62 117.0(4) . . ?
C96 C56 C53 116.6(4) . . ?
C96 C56 C57 125.2(4) . . ?
C57 C56 C53 118.1(4) . . ?
C48 C47 H47 126.5 . . ?
C46 C47 H47 126.5 . . ?
C46 C47 C48 107.0(6) . . ?
C125 C124 H124 119.6 . . ?
C125 C124 C123 120.9(5) . . ?
C123 C124 H124 119.6 . . ?
C101 C102 H102 118.9 . . ?
C103 C102 C101 122.2(5) . . ?
C103 C102 H102 118.9 . . ?
O14 C80 C77 114.1(5) . . ?
O13 C80 O14 127.4(4) . . ?
O13 C80 C77 118.5(5) . . ?
C98 C103 H103 120.0 . . ?
C102 C103 C98 120.0(5) . . ?
C102 C103 H103 120.0 . . ?
N2 C146 C147 133.4(6) . . ?
C149 C146 N2 108.7(4) . . ?
C149 C146 C147 117.8(5) . . ?
C101 C100 H100 118.3 . . ?
C99 C100 C101 123.3(5) . . ?
C99 C100 H100 118.3 . . ?
C86 C91 H91 120.3 . . ?
C90 C91 C86 119.5(5) . . ?
C90 C91 H91 120.3 . . ?
C98 C99 H99 120.4 . . ?
C100 C99 C98 119.2(5) . . ?
C100 C99 H99 120.4 . . ?
C21 N13 Zn7 126.3(4) . . ?
C21 N13 C24 109.8(5) . . ?
C24 N13 Zn7 124.0(4) . . ?
C134 C139 H139 120.0 . . ?
C138 C139 C134 119.9(5) . . ?
C138 C139 H139 120.0 . . ?
C89 C88 H88 118.6 . . ?
C89 C88 C87 122.7(6) . . ?
C87 C88 H88 118.6 . . ?
C110 C111 H111 119.4 . . ?
C112 C111 C110 121.2(5) . . ?
C112 C111 H111 119.4 . . ?
O23 C128 O24 126.9(5) . . ?
O23 C128 C125 119.3(5) . . ?
O24 C128 C125 113.7(5) . . ?
C137 C138 C139 122.0(5) . . ?
C137 C138 H138 119.0 . . ?
C139 C138 H138 119.0 . . ?
C122 C127 H127 121.0 . . ?
C122 C127 C126 117.9(5) . . ?
C126 C127 H127 121.0 . . ?
C89 C90 C91 122.1(5) . . ?
C89 C90 H90 118.9 . . ?
C91 C90 H90 118.9 . . ?
C113 C114 H114 119.8 . . ?
C115 C114 C113 120.3(5) . . ?
C115 C114 H114 119.8 . . ?
C110 C115 H115 119.8 . . ?
C114 C115 C110 120.3(5) . . ?
C114 C115 H115 119.8 . . ?
C77 C76 H76 121.3 . . ?
C77 C76 C75 117.5(6) . . ?
C75 C76 H76 121.3 . . ?
C113 C112 H112 119.6 . . ?
C111 C112 C113 120.9(5) . . ?
C111 C112 H112 119.6 . . ?
C9 C10 H10 126.7 . . ?
C11 C10 H10 126.7 . . ?
C11 C10 C9 106.6(6) . . ?
C48 N11 Zn7 126.8(4) . . ?
C45 N11 Zn7 128.2(4) . . ?
C45 N11 C48 105.0(5) . . ?
N7 C154 C153 134.0(6) . . ?
C151 C154 N7 108.4(4) . . ?
C151 C154 C153 117.6(6) . . ?
C65 C66 H66 119.9 . . ?
C65 C66 C67 120.3(6) . . ?
C67 C66 H66 119.9 . . ?
N12 C33 C34 110.2(6) . . ?
N12 C33 C25 128.4(6) . . ?
C25 C33 C34 120.8(6) . . ?
C122 C123 C124 121.4(5) . . ?
C122 C123 H123 119.3 . . ?
C124 C123 H123 119.3 . . ?
C65 C64 H64 121.8 . . ?
C65 C64 C63 116.4(7) . . ?
C63 C64 H64 121.8 . . ?
C134 C135 H135 120.6 . . ?
C136 C135 C134 118.7(5) . . ?
C136 C135 H135 120.6 . . ?
O17 C140 C137 113.8(5) . . ?
O18 C140 O17 127.0(5) . . ?
O18 C140 C137 119.2(5) . . ?
C86 C87 C88 120.4(5) . . ?
C86 C87 H87 119.8 . . ?
C88 C87 H87 119.8 . . ?
N4 C147 N5 122.2(6) . . ?
N4 C147 C146 117.0(6) . . ?
N5 C147 C146 120.7(6) . . ?
C74 C79 H79 119.9 . . ?
C74 C79 C78 120.1(6) . . ?
C78 C79 H79 119.9 . . ?
C53 C54 H54 119.2 . . ?
C53 C54 C55 121.5(6) . . ?
C55 C54 H54 119.2 . . ?
C50 C51 H51 118.9 . . ?
C50 C51 C52 122.1(7) . . ?
C52 C51 H51 118.9 . . ?
C2 C3 H3 121.0 . . ?
C2 C3 C4 117.9(8) . . ?
C4 C3 H3 121.0 . . ?
C3 C2 C1 120.3(8) . . ?
C3 C2 C7 123.3(7) . . ?
C7 C2 C1 115.9(8) . . ?
C74 C75 C76 120.4(6) . . ?
C74 C75 H75 119.8 . . ?
C76 C75 H75 119.8 . . ?
C125 C126 C127 122.5(5) . . ?
C125 C126 H126 118.7 . . ?
C127 C126 H126 118.7 . . ?
C62 C63 C64 126.7(7) . . ?
C62 C63 H63 116.7 . . ?
C64 C63 H63 116.7 . . ?
C33 N12 Zn7 125.7(4) . . ?
C33 N12 C36 109.4(5) . . ?
C36 N12 Zn7 124.8(4) . . ?
C27 C28 H28 123.1 . . ?
C29 C28 H28 123.1 . . ?
C29 C28 C27 113.9(10) . . ?
O9 C49 O10 123.3(5) . . ?
O9 C49 C50 117.5(5) . . ?
O10 C49 C50 119.2(6) . . ?
N3 C148 H148 115.4 . . ?
N4 C148 N3 129.3(6) . . ?
N4 C148 H148 115.4 . . ?
C6 C5 C8 119.8(8) . . ?
C4 C5 C6 118.0(7) . . ?
C4 C5 C8 122.1(8) . . ?
C47 C48 N11 110.8(6) . . ?
C47 C48 C8 123.8(6) . . ?
N11 C48 C8 125.4(6) . . ?
N13 C21 C22 106.3(6) . . ?
N13 C21 C13 128.9(6) . . ?
C13 C21 C22 124.5(6) . . ?
O21 C116 C113 120.4(6) . . ?
O21 C116 O22 124.7(5) . . ?
O22 C116 C113 114.9(5) . . ?
N14 C9 C10 108.3(6) . . ?
N14 C9 C8 127.4(6) . . ?
C8 C9 C10 124.1(6) . . ?
C34 C35 H35 127.6 . . ?
C34 C35 C36 104.8(6) . . ?
C36 C35 H35 127.6 . . ?
O11 C68 C65 114.7(6) . . ?
O12 C68 O11 124.7(5) . . ?
O12 C68 C65 120.6(6) . . ?
C41 C42 H42 120.5 . . ?
C41 C42 C43 119.0(11) . . ?
C43 C42 H42 120.5 . . ?
C28 C27 H27 117.6 . . ?
C26 C27 C28 124.8(10) . . ?
C26 C27 H27 117.6 . . ?
C47 C46 H46 125.3 . . ?
C47 C46 C45 109.3(6) . . ?
C45 C46 H46 125.3 . . ?
C53 C52 C51 122.6(7) . . ?
C53 C52 H52 118.7 . . ?
C51 C52 H52 118.7 . . ?
C21 C22 H22 125.2 . . ?
C23 C22 C21 109.6(6) . . ?
C23 C22 H22 125.2 . . ?
C77 C78 C79 122.2(6) . . ?
C77 C78 H78 118.9 . . ?
C79 C78 H78 118.9 . . ?
C43 C38 C37 122.4(9) . . ?
C39 C38 C43 118.0(8) . . ?
C39 C38 C37 119.5(9) . . ?
C42 C41 C44 127.5(9) . . ?
C42 C41 C40 121.4(8) . . ?
C40 C41 C44 111.0(9) . . ?
C30 C31 H31 117.2 . . ?
C26 C31 H31 117.2 . . ?
C26 C31 C30 125.5(11) . . ?
O1 C1 O2 125.6(7) . . ?
O1 C1 C2 117.6(8) . . ?
O2 C1 C2 116.8(8) . . ?
N8 C152 H152 114.4 . . ?
N9 C152 N8 131.2(8) . . ?
N9 C152 H152 114.4 . . ?
C62 C67 C66 123.2(6) . . ?
C62 C67 H67 118.4 . . ?
C66 C67 H67 118.4 . . ?
C28 C29 C32 115.5(9) . . ?
C30 C29 C28 121.9(7) . . ?
C30 C29 C32 122.5(9) . . ?
C33 C34 H34 126.9 . . ?
C35 C34 C33 106.2(6) . . ?
C35 C34 H34 126.9 . . ?
C21 C13 C14 120.1(6) . . ?
C21 C13 C12 122.2(6) . . ?
C12 C13 C14 117.2(6) . . ?
C50 C55 H55 119.8 . . ?
C54 C55 C50 120.5(6) . . ?
C54 C55 H55 119.8 . . ?
C31 C30 H30 120.7 . . ?
C29 C30 C31 118.6(10) . . ?
C29 C30 H30 120.7 . . ?
O8 C20 O7 124.8(9) . . ?
O8 C20 C17 119.7(8) . . ?
O7 C20 C17 114.9(9) . . ?
C14 C15 H15 119.7 . . ?
C16 C15 H15 119.7 . . ?
C16 C15 C14 120.7(9) . . ?
C42 C43 H43 118.9 . . ?
C38 C43 C42 122.3(10) . . ?
C38 C43 H43 118.9 . . ?
C10 C11 H11 125.6 . . ?
C10 C11 C12 108.7(6) . . ?
C12 C11 H11 125.6 . . ?
C27 C26 C25 119.5(10) . . ?
C31 C26 C27 115.1(9) . . ?
C31 C26 C25 125.4(11) . . ?
C9 N14 Zn7 125.4(4) . . ?
C12 N14 Zn7 126.8(4) . . ?
C12 N14 C9 107.7(6) . . ?
C14 C19 H19 119.5 . . ?
C18 C19 H19 119.5 . . ?
C18 C19 C14 121.0(10) . . ?
C152 N9 C153 116.3(7) . . ?
C15 C14 C13 122.9(10) . . ?
C15 C14 C19 118.7(8) . . ?
C19 C14 C13 118.3(9) . . ?
O5 C32 O6 126.9(8) . . ?
O5 C32 C29 117.7(10) . . ?
O6 C32 C29 114.6(10) . . ?
C38 C39 H39 118.5 . . ?
C38 C39 C40 123.0(10) . . ?
C40 C39 H39 118.5 . . ?
O3 C44 O4 127.2(8) . . ?
O3 C44 C41 124.2(8) . . ?
O4 C44 C41 108.5(9) . . ?
C5 C6 H6 119.2 . . ?
C7 C6 C5 121.6(9) . . ?
C7 C6 H6 119.2 . . ?
N13 C24 C23 107.1(6) . . ?
N13 C24 C25 129.2(6) . . ?
C25 C24 C23 123.5(6) . . ?
C48 C8 C5 117.9(6) . . ?
C48 C8 C9 124.0(6) . . ?
C9 C8 C5 118.0(6) . . ?
C13 C12 C11 125.5(6) . . ?
N14 C12 C13 126.5(6) . . ?
N14 C12 C11 108.1(6) . . ?
N11 C45 C46 107.8(6) . . ?
C37 C45 N11 125.6(6) . . ?
C37 C45 C46 126.5(7) . . ?
C3 C4 H4 118.7 . . ?
C5 C4 C3 122.6(8) . . ?
C5 C4 H4 118.7 . . ?
C15 C16 H16 120.3 . . ?
C15 C16 C17 119.5(8) . . ?
C17 C16 H16 120.3 . . ?
N12 C36 C35 108.8(5) . . ?
N12 C36 C37 127.4(6) . . ?
C37 C36 C35 123.8(6) . . ?
C22 C23 C24 107.1(6) . . ?
C22 C23 H23 126.4 . . ?
C24 C23 H23 126.4 . . ?
C45 C37 C38 118.9(6) . . ?
C45 C37 C36 124.4(6) . . ?
C36 C37 C38 116.8(6) . . ?
C33 C25 C26 119.6(6) . . ?
C24 C25 C33 121.3(6) . . ?
C24 C25 C26 118.4(6) . . ?
C19 C18 H18 119.4 . . ?
C19 C18 C17 121.1(10) . . ?
C17 C18 H18 119.4 . . ?
C2 C7 H7 121.9 . . ?
C6 C7 C2 116.2(9) . . ?
C6 C7 H7 121.9 . . ?
C16 C17 C20 117.7(8) . . ?
C18 C17 C20 123.3(8) . . ?
C18 C17 C16 118.6(8) . . ?
C116 O22 Zn2 106.8(3) . 1_665 ?
C41 C40 C39 116.4(10) . . ?
C41 C40 H40 121.8 . . ?
C39 C40 H40 121.8 . . ?
Zn9 O26 H26A 127.8 . . ?
Zn9 O26 H26B 127.8 . . ?
H26A O26 H26B 104.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Zn4 O19 C97 O20 6.9(6) . . . . ?
Zn4 O19 C97 C98 -169.3(3) . . . . ?
Zn4 O11 C68 O12 5.4(9) . . . . ?
Zn4 O11 C68 C65 -174.7(3) . . . . ?
Zn4 N6 C150 N7 171.0(3) . . . . ?
Zn4 N6 C151 N8 8.9(8) . . . . ?
Zn4 N6 C151 C154 -171.4(3) . . . . ?
Zn7 N13 C21 C22 179.2(6) . . . . ?
Zn7 N13 C21 C13 5.0(16) . . . . ?
Zn7 N13 C24 C23 -178.6(6) . . . . ?
Zn7 N13 C24 C25 -2.8(14) . . . . ?
Zn7 N11 C48 C47 179.7(7) . . . . ?
Zn7 N11 C48 C8 0.6(14) . . . . ?
Zn7 N11 C45 C46 179.6(6) . . . . ?
Zn7 N11 C45 C37 -1.0(14) . . . . ?
Zn7 N12 C36 C35 -174.8(7) . . . . ?
Zn7 N12 C36 C37 6.9(14) . . . . ?
Zn7 N14 C12 C13 5.9(14) . . . . ?
Zn7 N14 C12 C11 -173.9(8) . . . . ?
Zn9 N20 C132 C133 4.1(7) . . . . ?
Zn9 N20 C132 C131 -176.8(3) . . . . ?
Zn9 N20 C129 C121 0.6(7) . . . . ?
Zn9 N20 C129 C130 175.9(4) . . . . ?
Zn9 N21 C120 C119 -163.6(3) . . . . ?
Zn9 N21 C120 C121 18.4(7) . . . . ?
Zn9 N21 C117 C118 163.2(3) . . . . ?
Zn9 N21 C117 C109 -15.5(7) . . . . ?
Zn9 N19 C144 C143 -160.0(3) . . . . ?
Zn9 N19 C144 C104 19.7(7) . . . . ?
Zn9 N19 C141 C142 161.6(3) . . . . ?
Zn9 N19 C141 C133 -15.2(7) . . . . ?
Zn9 N22 C108 C107 174.5(3) . . . . ?
Zn9 N22 C108 C109 -6.0(7) . . . . ?
Zn9 N22 C105 C104 4.4(7) . . . . ?
Zn9 N22 C105 C106 -176.6(3) . . . . ?
Zn6 O23 C128 O24 -2.2(7) . . . . ?
Zn6 O23 C128 C125 -179.4(3) . . . . ?
Zn6 O16 C92 O15 9.8(7) 2_687 . . . ?
Zn6 O16 C92 C89 -171.7(3) 2_687 . . . ?
Zn6 O15 C92 O16 -5.5(7) 1_445 . . . ?
Zn6 O15 C92 C89 175.9(3) 1_445 . . . ?
Zn6 O24 C128 O23 0.2(7) 2_797 . . . ?
Zn6 O24 C128 C125 177.6(3) 2_797 . . . ?
Zn6 N7 C150 N6 170.2(3) 2_787 . . . ?
Zn6 N7 C154 C153 13.3(10) 2_787 . . . ?
Zn6 N7 C154 C151 -167.8(3) 2_787 . . . ?
Zn2 O9 C49 O10 -12.5(8) . . . . ?
Zn2 O9 C49 C50 170.1(4) . . . . ?
Zn2 N1 C149 N3 -3.2(7) . . . . ?
Zn2 N1 C149 C146 176.4(3) . . . . ?
Zn2 N1 C145 N2 -177.6(3) . . . . ?
Zn5 O14 C80 O13 -1.3(7) 2_687 . . . ?
Zn5 O14 C80 C77 176.8(3) 2_687 . . . ?
Zn5 O17 C140 O18 -3.2(7) . . . . ?
Zn5 O17 C140 C137 175.6(3) . . . . ?
Zn5 O18 C140 O17 4.8(8) 2_687 . . . ?
Zn5 O18 C140 C137 -173.9(3) 2_687 . . . ?
Zn5 O13 C80 O14 1.2(8) . . . . ?
Zn5 O13 C80 C77 -176.8(3) . . . . ?
Zn5 N2 C145 N1 -170.7(3) 2_677 . . . ?
Zn5 N2 C146 C149 168.7(3) 2_677 . . . ?
Zn5 N2 C146 C147 -15.1(9) 2_677 . . . ?
Zn8 N17 C84 C85 8.1(8) . . . . ?
Zn8 N17 C84 C83 -170.4(4) . . . . ?
Zn8 N17 C81 C82 170.6(4) . . . . ?
Zn8 N17 C81 C73 -9.2(8) . . . . ?
Zn8 N18 C72 C71 -177.9(4) . . . . ?
Zn8 N18 C72 C73 5.1(9) . . . . ?
Zn8 N18 C69 C70 178.4(4) . . . . ?
Zn8 N18 C69 C61 -3.1(9) . . . . ?
Zn8 N16 C93 C94 177.6(4) . . . . ?
Zn8 N16 C93 C85 -4.2(8) . . . . ?
Zn8 N16 C96 C95 -178.8(4) . . . . ?
Zn8 N16 C96 C56 7.5(9) . . . . ?
Zn8 N15 C60 C59 -174.4(4) . . . . ?
Zn8 N15 C60 C61 2.6(8) . . . . ?
Zn8 N15 C57 C58 174.6(4) . . . . ?
Zn8 N15 C57 C56 -5.8(8) . . . . ?
Zn1 O1 C1 O2 -2.8(13) 2_666 . . . ?
Zn1 O1 C1 C2 176.0(6) 2_666 . . . ?
Zn1 O3 C44 O4 5.2(12) . . . . ?
Zn1 O3 C44 C41 -170.0(5) . . . . ?
Zn1 N3 C149 N1 -12.3(7) . . . . ?
Zn1 N3 C149 C146 168.1(4) . . . . ?
Zn1 N3 C148 N4 -170.6(7) . . . . ?
Zn3 O8 C20 O7 -0.6(12) 2_776 . . . ?
Zn3 O8 C20 C17 -171.2(6) 2_776 . . . ?
Zn3 O5 C32 O6 1.7(14) . . . . ?
Zn3 O5 C32 C29 170.5(4) . . . . ?
Zn3 N8 C151 N6 4.1(9) . . . . ?
Zn3 N8 C151 C154 -175.5(4) . . . . ?
Zn3 N8 C152 N9 174.5(10) . . . . ?
O16 C92 C89 C88 169.8(5) . . . . ?
O16 C92 C89 C90 -9.9(7) . . . . ?
O15 C92 C89 C88 -11.5(7) . . . . ?
O15 C92 C89 C90 168.8(5) . . . . ?
O8 C20 C17 C16 6.0(12) . . . . ?
O8 C20 C17 C18 178.4(9) . . . . ?
O7 C20 C17 C16 -165.5(9) . . . . ?
O7 C20 C17 C18 6.9(14) . . . . ?
N20 C132 C133 C134 -173.2(5) . . . . ?
N20 C132 C133 C141 3.3(9) . . . . ?
N20 C132 C131 C130 2.4(6) . . . . ?
N20 C129 C121 C120 -5.8(9) . . . . ?
N20 C129 C121 C122 171.5(5) . . . . ?
N20 C129 C130 C131 -0.1(7) . . . . ?
N17 C84 C85 C86 176.6(5) . . . . ?
N17 C84 C85 C93 -2.1(9) . . . . ?
N17 C84 C83 C82 -0.9(7) . . . . ?
N17 C81 C82 C83 0.2(7) . . . . ?
N17 C81 C73 C72 2.6(10) . . . . ?
N17 C81 C73 C74 -175.0(5) . . . . ?
N21 C120 C119 C118 -0.9(6) . . . . ?
N21 C120 C121 C122 178.2(5) . . . . ?
N21 C120 C121 C129 -4.4(9) . . . . ?
N21 C117 C118 C119 1.8(6) . . . . ?
N21 C117 C109 C110 177.4(4) . . . . ?
N21 C117 C109 C108 1.4(8) . . . . ?
N18 C72 C71 C70 -0.3(7) . . . . ?
N18 C72 C73 C81 -0.3(10) . . . . ?
N18 C72 C73 C74 177.3(5) . . . . ?
N18 C69 C70 C71 -0.9(7) . . . . ?
N18 C69 C61 C60 -1.7(10) . . . . ?
N18 C69 C61 C62 177.8(5) . . . . ?
N16 C93 C94 C95 -0.1(7) . . . . ?
N16 C93 C85 C86 -178.8(5) . . . . ?
N16 C93 C85 C84 -0.1(9) . . . . ?
N16 C96 C56 C53 179.1(6) . . . . ?
N16 C96 C56 C57 -2.0(10) . . . . ?
N6 C151 C154 N7 0.6(6) . . . . ?
N6 C151 C154 C153 179.7(6) . . . . ?
N15 C60 C59 C58 -1.5(7) . . . . ?
N15 C60 C61 C62 -177.6(5) . . . . ?
N15 C60 C61 C69 2.0(10) . . . . ?
N15 C57 C58 C59 1.1(7) . . . . ?
N15 C57 C56 C96 1.0(10) . . . . ?
N15 C57 C56 C53 179.9(5) . . . . ?
N19 C144 C143 C142 -3.0(6) . . . . ?
N19 C144 C104 C101 -178.2(5) . . . . ?
N19 C144 C104 C105 -3.8(8) . . . . ?
N19 C141 C133 C132 3.0(9) . . . . ?
N19 C141 C133 C134 179.5(5) . . . . ?
N22 C108 C107 C106 4.6(6) . . . . ?
N22 C108 C109 C110 -165.9(4) . . . . ?
N22 C108 C109 C117 10.1(8) . . . . ?
N22 C105 C104 C144 -9.3(8) . . . . ?
N22 C105 C104 C101 165.2(5) . . . . ?
N22 C105 C106 C107 0.9(6) . . . . ?
N1 C149 C146 N2 1.4(5) . . . . ?
N1 C149 C146 C147 -175.6(4) . . . . ?
N2 C146 C147 N4 -180.0(6) . . . . ?
N2 C146 C147 N5 4.5(10) . . . . ?
N3 C149 C146 N2 -179.0(4) . . . . ?
N3 C149 C146 C147 4.0(8) . . . . ?
N8 C151 C154 N7 -179.7(5) . . . . ?
N8 C151 C154 C153 -0.6(9) . . . . ?
N8 C152 N9 C153 2.9(18) . . . . ?
N10 C153 C154 N7 1.5(14) . . . . ?
N10 C153 C154 C151 -177.3(8) . . . . ?
N10 C153 N9 C152 176.4(10) . . . . ?
C110 C111 C112 C113 0.5(9) . . . . ?
C120 N21 C117 C118 -2.3(5) . . . . ?
C120 N21 C117 C109 179.0(5) . . . . ?
C86 C91 C90 C89 -1.3(9) . . . . ?
C122 C127 C126 C125 2.6(8) . . . . ?
C93 N16 C96 C95 -3.2(6) . . . . ?
C93 N16 C96 C56 -176.9(6) . . . . ?
C132 N20 C129 C121 -173.8(5) . . . . ?
C132 N20 C129 C130 1.6(6) . . . . ?
C132 C131 C130 C129 -1.4(7) . . . . ?
C84 N17 C81 C82 -0.8(6) . . . . ?
C84 N17 C81 C73 179.4(5) . . . . ?
C81 N17 C84 C85 179.7(5) . . . . ?
C81 N17 C84 C83 1.1(6) . . . . ?
C81 C82 C83 C84 0.4(7) . . . . ?
C108 N22 C105 C104 -177.0(5) . . . . ?
C108 N22 C105 C106 1.9(5) . . . . ?
C108 C107 C106 C105 -3.2(6) . . . . ?
C144 N19 C141 C142 -1.8(6) . . . . ?
C144 N19 C141 C133 -178.6(5) . . . . ?
C72 N18 C69 C70 0.7(7) . . . . ?
C72 N18 C69 C61 179.2(6) . . . . ?
C72 C71 C70 C69 0.7(7) . . . . ?
C101 C102 C103 C98 -0.9(8) . . . . ?
C101 C100 C99 C98 -0.6(8) . . . . ?
C129 N20 C132 C133 178.5(5) . . . . ?
C129 N20 C132 C131 -2.4(6) . . . . ?
C82 C81 C73 C72 -177.2(6) . . . . ?
C82 C81 C73 C74 5.2(8) . . . . ?
C105 N22 C108 C107 -4.0(5) . . . . ?
C105 N22 C108 C109 175.5(5) . . . . ?
C134 C139 C138 C137 -0.7(8) . . . . ?
C125 C124 C123 C122 0.7(10) . . . . ?
C95 C96 C56 C53 6.4(9) . . . . ?
C95 C96 C56 C57 -174.7(6) . . . . ?
C96 N16 C93 C94 2.1(6) . . . . ?
C96 N16 C93 C85 -179.8(5) . . . . ?
C96 C95 C94 C93 -1.9(7) . . . . ?
C60 N15 C57 C58 -2.0(6) . . . . ?
C60 N15 C57 C56 177.7(5) . . . . ?
C60 C59 C58 C57 0.3(7) . . . . ?
C74 C79 C78 C77 0.2(10) . . . . ?
C142 C141 C133 C132 -173.3(5) . . . . ?
C142 C141 C133 C134 3.2(8) . . . . ?
C53 C54 C55 C50 -1.9(12) . . . . ?
C94 C93 C85 C86 -1.0(8) . . . . ?
C94 C93 C85 C84 177.7(6) . . . . ?
C94 C95 C96 N16 3.3(7) . . . . ?
C94 C95 C96 C56 177.0(6) . . . . ?
C71 C72 C73 C81 -176.9(6) . . . . ?
C71 C72 C73 C74 0.7(9) . . . . ?
C149 N1 C145 N2 -0.4(5) . . . . ?
C149 N3 C148 N4 1.1(11) . . . . ?
C149 C146 C147 N4 -4.0(8) . . . . ?
C149 C146 C147 N5 -179.5(6) . . . . ?
C117 N21 C120 C119 2.0(5) . . . . ?
C117 N21 C120 C121 -176.0(5) . . . . ?
C117 C118 C119 C120 -0.5(6) . . . . ?
C141 N19 C144 C143 2.9(6) . . . . ?
C141 N19 C144 C104 -177.4(5) . . . . ?
C141 C142 C143 C144 1.7(6) . . . . ?
C77 C76 C75 C74 -0.1(8) . . . . ?
C145 N1 C149 N3 179.8(4) . . . . ?
C145 N1 C149 C146 -0.6(5) . . . . ?
C145 N2 C146 C149 -1.5(5) . . . . ?
C145 N2 C146 C147 174.7(6) . . . . ?
C85 C86 C91 C90 179.0(5) . . . . ?
C85 C86 C87 C88 -178.2(5) . . . . ?
C85 C93 C94 C95 -178.2(6) . . . . ?
C85 C84 C83 C82 -179.6(5) . . . . ?
C107 C108 C109 C110 13.5(7) . . . . ?
C107 C108 C109 C117 -170.5(5) . . . . ?
C118 C117 C109 C110 -1.0(8) . . . . ?
C118 C117 C109 C108 -177.0(5) . . . . ?
C113 C114 C115 C110 -1.5(8) . . . . ?
C113 C116 O22 Zn2 174.3(3) . . . 1_665 ?
C57 N15 C60 C59 2.2(6) . . . . ?
C57 N15 C60 C61 179.2(6) . . . . ?
C92 C89 C88 C87 -178.7(5) . . . . ?
C92 C89 C90 C91 179.6(5) . . . . ?
C69 N18 C72 C71 -0.3(7) . . . . ?
C69 N18 C72 C73 -177.3(6) . . . . ?
C143 C144 C104 C101 1.5(8) . . . . ?
C143 C144 C104 C105 175.9(5) . . . . ?
C143 C142 C141 N19 -0.1(6) . . . . ?
C143 C142 C141 C133 176.8(5) . . . . ?
C83 C84 C85 C86 -5.0(8) . . . . ?
C83 C84 C85 C93 176.3(6) . . . . ?
C133 C132 C131 C130 -178.5(5) . . . . ?
C133 C134 C139 C138 177.3(5) . . . . ?
C133 C134 C135 C136 -176.3(4) . . . . ?
C59 C60 C61 C62 -1.0(9) . . . . ?
C59 C60 C61 C69 178.5(6) . . . . ?
C136 C137 C138 C139 0.9(8) . . . . ?
C136 C137 C140 O17 12.4(6) . . . . ?
C136 C137 C140 O18 -168.7(5) . . . . ?
C150 N6 C151 N8 -179.6(5) . . . . ?
C150 N6 C151 C154 0.1(5) . . . . ?
C150 N7 C154 C153 -179.9(8) . . . . ?
C150 N7 C154 C151 -1.0(5) . . . . ?
C58 C57 C56 C96 -179.4(6) . . . . ?
C58 C57 C56 C53 -0.4(9) . . . . ?
C119 C120 C121 C122 0.4(8) . . . . ?
C119 C120 C121 C129 177.8(5) . . . . ?
C104 C144 C143 C142 177.3(5) . . . . ?
C104 C101 C102 C103 174.7(5) . . . . ?
C104 C101 C100 C99 -173.9(5) . . . . ?
C104 C105 C106 C107 179.9(5) . . . . ?
C50 C51 C52 C53 2.8(11) . . . . ?
C137 C136 C135 C134 -1.2(7) . . . . ?
C70 C69 C61 C60 176.6(6) . . . . ?
C70 C69 C61 C62 -3.9(9) . . . . ?
C109 C110 C111 C112 177.8(5) . . . . ?
C109 C110 C115 C114 -177.3(4) . . . . ?
C109 C108 C107 C106 -174.9(5) . . . . ?
C109 C117 C118 C119 -179.6(5) . . . . ?
C106 C105 C104 C144 171.9(5) . . . . ?
C106 C105 C104 C101 -13.6(7) . . . . ?
C73 C81 C82 C83 -179.9(5) . . . . ?
C73 C72 C71 C70 176.7(6) . . . . ?
C73 C74 C79 C78 176.0(5) . . . . ?
C73 C74 C75 C76 -176.2(5) . . . . ?
C121 C120 C119 C118 177.2(5) . . . . ?
C121 C122 C127 C126 175.9(4) . . . . ?
C121 C122 C123 C124 -177.4(5) . . . . ?
C121 C129 C130 C131 175.3(5) . . . . ?
C89 C88 C87 C86 -0.3(9) . . . . ?
C151 N6 C150 N7 -0.8(5) . . . . ?
C151 N8 C152 N9 -2.7(15) . . . . ?
C65 C66 C67 C62 -2.7(12) . . . . ?
C65 C64 C63 C62 2.4(16) . . . . ?
C97 C98 C103 C102 -176.8(4) . . . . ?
C97 C98 C99 C100 177.6(5) . . . . ?
C131 C132 C133 C134 7.7(8) . . . . ?
C131 C132 C133 C141 -175.7(5) . . . . ?
C130 C129 C121 C120 179.5(5) . . . . ?
C130 C129 C121 C122 -3.1(8) . . . . ?
C61 C60 C59 C58 -178.5(6) . . . . ?
C61 C62 C63 C64 176.7(8) . . . . ?
C61 C62 C67 C66 -176.7(6) . . . . ?
C61 C69 C70 C71 -179.4(6) . . . . ?
C56 C53 C54 C55 -177.0(6) . . . . ?
C56 C53 C52 C51 176.6(6) . . . . ?
C56 C57 C58 C59 -178.6(6) . . . . ?
C47 C48 C8 C5 5.5(15) . . . . ?
C47 C48 C8 C9 -176.4(10) . . . . ?
C47 C46 C45 N11 1.2(12) . . . . ?
C47 C46 C45 C37 -178.1(10) . . . . ?
C124 C125 C128 O23 -170.1(5) . . . . ?
C124 C125 C128 O24 12.4(6) . . . . ?
C124 C125 C126 C127 -2.4(8) . . . . ?
C102 C101 C104 C144 -54.8(7) . . . . ?
C102 C101 C104 C105 130.3(5) . . . . ?
C102 C101 C100 C99 2.1(8) . . . . ?
C80 C77 C76 C75 178.7(4) . . . . ?
C80 C77 C78 C79 -178.7(5) . . . . ?
C103 C98 C97 O19 166.0(4) . . . . ?
C103 C98 C97 O20 -10.2(7) . . . . ?
C103 C98 C99 C100 -1.7(7) . . . . ?
C146 N2 C145 N1 1.2(5) . . . . ?
C100 C101 C104 C144 120.9(5) . . . . ?
C100 C101 C104 C105 -54.0(7) . . . . ?
C100 C101 C102 C103 -1.3(8) . . . . ?
C91 C86 C85 C93 -67.4(7) . . . . ?
C91 C86 C85 C84 113.8(6) . . . . ?
C91 C86 C87 C88 -1.2(8) . . . . ?
C99 C98 C97 O19 -13.2(6) . . . . ?
C99 C98 C97 O20 170.5(5) . . . . ?
C99 C98 C103 C102 2.4(7) . . . . ?
N13 C21 C22 C23 -0.1(13) . . . . ?
N13 C21 C13 C14 177.7(10) . . . . ?
N13 C21 C13 C12 -10.7(17) . . . . ?
N13 C24 C23 C22 -1.7(11) . . . . ?
N13 C24 C25 C33 11.1(16) . . . . ?
N13 C24 C25 C26 -177.9(10) . . . . ?
C139 C134 C133 C132 70.4(6) . . . . ?
C139 C134 C133 C141 -106.5(5) . . . . ?
C139 C134 C135 C136 1.3(7) . . . . ?
C88 C89 C90 C91 -0.2(9) . . . . ?
C111 C110 C109 C108 54.2(7) . . . . ?
C111 C110 C109 C117 -122.2(5) . . . . ?
C111 C110 C115 C114 2.7(7) . . . . ?
C128 C125 C124 C123 176.6(5) . . . . ?
C128 C125 C126 C127 -178.4(4) . . . . ?
C138 C137 C140 O17 -168.5(4) . . . . ?
C138 C137 C140 O18 10.4(7) . . . . ?
C127 C122 C121 C120 -98.8(6) . . . . ?
C127 C122 C121 C129 83.6(6) . . . . ?
C127 C122 C123 C124 -0.5(9) . . . . ?
C90 C89 C88 C87 1.0(8) . . . . ?
C114 C113 C112 C111 0.8(9) . . . . ?
C114 C113 C116 O21 15.9(7) . . . . ?
C114 C113 C116 O22 -162.3(5) . . . . ?
C115 C110 C109 C108 -125.8(5) . . . . ?
C115 C110 C109 C117 57.8(7) . . . . ?
C115 C110 C111 C112 -2.2(8) . . . . ?
C76 C77 C80 O14 9.5(6) . . . . ?
C76 C77 C80 O13 -172.3(5) . . . . ?
C76 C77 C78 C79 1.1(9) . . . . ?
C112 C113 C114 C115 -0.3(8) . . . . ?
C112 C113 C116 O21 -166.5(5) . . . . ?
C112 C113 C116 O22 15.3(7) . . . . ?
C10 C9 N14 Zn7 170.0(6) . . . . ?
C10 C9 N14 C12 -5.7(11) . . . . ?
C10 C9 C8 C5 3.8(15) . . . . ?
C10 C9 C8 C48 -174.3(10) . . . . ?
C10 C11 C12 C13 -176.4(10) . . . . ?
C10 C11 C12 N14 3.4(14) . . . . ?
N11 C48 C8 C5 -175.5(9) . . . . ?
N11 C48 C8 C9 2.6(16) . . . . ?
N11 C45 C37 C38 177.5(9) . . . . ?
N11 C45 C37 C36 -1.7(16) . . . . ?
C154 N7 C150 N6 1.2(5) . . . . ?
C154 C153 N9 C152 -1.6(15) . . . . ?
C66 C65 C64 C63 -3.4(12) . . . . ?
C66 C65 C68 O11 -1.8(8) . . . . ?
C66 C65 C68 O12 178.2(7) . . . . ?
C33 N12 C36 C35 1.7(11) . . . . ?
C33 N12 C36 C37 -176.5(10) . . . . ?
C123 C122 C121 C120 78.0(6) . . . . ?
C123 C122 C121 C129 -99.5(6) . . . . ?
C123 C122 C127 C126 -1.0(7) . . . . ?
C64 C65 C66 C67 3.7(11) . . . . ?
C64 C65 C68 O11 174.4(7) . . . . ?
C64 C65 C68 O12 -5.7(10) . . . . ?
C135 C134 C133 C132 -112.0(5) . . . . ?
C135 C134 C133 C141 71.1(6) . . . . ?
C135 C134 C139 C138 -0.4(7) . . . . ?
C135 C136 C137 C138 0.1(7) . . . . ?
C135 C136 C137 C140 179.2(4) . . . . ?
C140 C137 C138 C139 -178.3(5) . . . . ?
C87 C86 C85 C93 109.5(6) . . . . ?
C87 C86 C85 C84 -69.3(7) . . . . ?
C87 C86 C91 C90 2.0(8) . . . . ?
C147 N4 C148 N3 -1.5(13) . . . . ?
C79 C74 C73 C81 68.3(7) . . . . ?
C79 C74 C73 C72 -109.5(7) . . . . ?
C79 C74 C75 C76 1.4(9) . . . . ?
C54 C53 C56 C96 74.7(8) . . . . ?
C54 C53 C56 C57 -104.3(7) . . . . ?
C54 C53 C52 C51 -4.6(10) . . . . ?
C51 C50 C49 O9 8.0(9) . . . . ?
C51 C50 C49 O10 -169.5(7) . . . . ?
C51 C50 C55 C54 -0.1(11) . . . . ?
C3 C2 C1 O1 -14.8(13) . . . . ?
C3 C2 C1 O2 164.1(10) . . . . ?
C3 C2 C7 C6 5.7(15) . . . . ?
C2 C3 C4 C5 7.4(15) . . . . ?
C75 C74 C73 C81 -114.2(6) . . . . ?
C75 C74 C73 C72 67.9(7) . . . . ?
C75 C74 C79 C78 -1.4(9) . . . . ?
C126 C125 C124 C123 0.8(8) . . . . ?
C126 C125 C128 O23 5.7(6) . . . . ?
C126 C125 C128 O24 -171.9(4) . . . . ?
C63 C62 C61 C60 100.8(8) . . . . ?
C63 C62 C61 C69 -78.8(9) . . . . ?
C63 C62 C67 C66 1.4(11) . . . . ?
N12 C33 C34 C35 7.9(12) . . . . ?
N12 C33 C25 C26 179.7(10) . . . . ?
N12 C33 C25 C24 -9.4(16) . . . . ?
N12 C36 C37 C38 179.2(9) . . . . ?
N12 C36 C37 C45 -1.6(16) . . . . ?
C28 C27 C26 C31 3.1(17) . . . . ?
C28 C27 C26 C25 -179.2(9) . . . . ?
C28 C29 C30 C31 -3.4(17) . . . . ?
C28 C29 C32 O5 5.4(12) . . . . ?
C28 C29 C32 O6 175.5(8) . . . . ?
C49 C50 C51 C52 -178.7(6) . . . . ?
C49 C50 C55 C54 178.3(7) . . . . ?
C148 N3 C149 N1 177.1(5) . . . . ?
C148 N3 C149 C146 -2.5(7) . . . . ?
C148 N4 C147 N5 178.2(7) . . . . ?
C148 N4 C147 C146 2.8(11) . . . . ?
C5 C6 C7 C2 -1.1(16) . . . . ?
C48 C47 C46 C45 -1.2(13) . . . . ?
C48 N11 C45 C46 -0.7(10) . . . . ?
C48 N11 C45 C37 178.6(9) . . . . ?
C21 N13 C24 C23 1.6(10) . . . . ?
C21 N13 C24 C25 177.5(10) . . . . ?
C21 C22 C23 C24 1.0(12) . . . . ?
C21 C13 C14 C15 107.9(11) . . . . ?
C21 C13 C14 C19 -68.5(13) . . . . ?
C21 C13 C12 C11 -175.5(11) . . . . ?
C21 C13 C12 N14 4.7(16) . . . . ?
C116 C113 C114 C115 177.3(5) . . . . ?
C116 C113 C112 C111 -176.8(5) . . . . ?
C9 C10 C11 C12 -6.7(13) . . . . ?
C9 N14 C12 C13 -178.5(9) . . . . ?
C9 N14 C12 C11 1.7(11) . . . . ?
C35 C36 C37 C38 1.2(14) . . . . ?
C35 C36 C37 C45 -179.7(10) . . . . ?
C68 C65 C66 C67 179.8(6) . . . . ?
C68 C65 C64 C63 -179.7(7) . . . . ?
C42 C41 C44 O3 177.0(10) . . . . ?
C42 C41 C44 O4 1.0(12) . . . . ?
C42 C41 C40 C39 -1.2(14) . . . . ?
C27 C28 C29 C30 2.2(14) . . . . ?
C27 C28 C29 C32 -178.1(8) . . . . ?
C27 C26 C25 C33 69.8(13) . . . . ?
C27 C26 C25 C24 -101.3(11) . . . . ?
C46 C47 C48 N11 0.7(13) . . . . ?
C46 C47 C48 C8 179.9(10) . . . . ?
C46 C45 C37 C38 -3.3(15) . . . . ?
C46 C45 C37 C36 177.6(10) . . . . ?
C52 C53 C56 C96 -106.6(7) . . . . ?
C52 C53 C56 C57 74.4(8) . . . . ?
C52 C53 C54 C55 4.2(11) . . . . ?
C22 C21 C13 C14 4.5(16) . . . . ?
C22 C21 C13 C12 176.1(9) . . . . ?
C78 C77 C80 O14 -170.7(5) . . . . ?
C78 C77 C80 O13 7.5(7) . . . . ?
C78 C77 C76 C75 -1.1(8) . . . . ?
C38 C39 C40 C41 0.9(15) . . . . ?
C41 C42 C43 C38 -1.4(17) . . . . ?
C31 C26 C25 C33 -112.7(12) . . . . ?
C31 C26 C25 C24 76.1(14) . . . . ?
C1 C2 C7 C6 177.0(9) . . . . ?
C152 N8 C151 N6 -179.0(6) . . . . ?
C152 N8 C151 C154 1.4(9) . . . . ?
C67 C62 C61 C60 -81.3(7) . . . . ?
C67 C62 C61 C69 99.1(7) . . . . ?
C67 C62 C63 C64 -1.3(14) . . . . ?
C29 C28 C27 C26 -2.0(16) . . . . ?
C34 C33 N12 Zn7 170.6(7) . . . . ?
C34 C33 N12 C36 -5.9(12) . . . . ?
C34 C33 C25 C26 9.7(15) . . . . ?
C34 C33 C25 C24 -179.4(10) . . . . ?
C34 C35 C36 N12 3.1(12) . . . . ?
C34 C35 C36 C37 -178.5(10) . . . . ?
C13 C21 C22 C23 174.5(10) . . . . ?
C55 C50 C51 C52 -0.3(10) . . . . ?
C55 C50 C49 O9 -170.4(6) . . . . ?
C55 C50 C49 O10 12.1(9) . . . . ?
C30 C31 C26 C27 -4.3(18) . . . . ?
C30 C31 C26 C25 178.1(10) . . . . ?
C30 C29 C32 O5 -174.9(10) . . . . ?
C30 C29 C32 O6 -4.7(13) . . . . ?
C15 C16 C17 C20 176.9(8) . . . . ?
C15 C16 C17 C18 4.1(13) . . . . ?
C43 C42 C41 C44 -174.5(8) . . . . ?
C43 C42 C41 C40 1.4(16) . . . . ?
C43 C38 C39 C40 -0.8(15) . . . . ?
C43 C38 C37 C45 -72.0(12) . . . . ?
C43 C38 C37 C36 107.2(10) . . . . ?
C11 C10 C9 N14 7.9(12) . . . . ?
C11 C10 C9 C8 -177.2(11) . . . . ?
C26 C31 C30 C29 5(2) . . . . ?
N14 C9 C8 C5 177.7(9) . . . . ?
N14 C9 C8 C48 -0.3(17) . . . . ?
C19 C18 C17 C20 179.8(10) . . . . ?
C19 C18 C17 C16 -7.9(16) . . . . ?
N9 C153 C154 N7 179.4(8) . . . . ?
N9 C153 C154 C151 0.7(12) . . . . ?
C14 C13 C12 C11 -3.7(16) . . . . ?
C14 C13 C12 N14 176.5(9) . . . . ?
C14 C15 C16 C17 0.3(14) . . . . ?
C14 C19 C18 C17 7.2(17) . . . . ?
C32 C29 C30 C31 176.9(9) . . . . ?
C39 C38 C43 C42 1.1(15) . . . . ?
C39 C38 C37 C45 104.2(11) . . . . ?
C39 C38 C37 C36 -76.6(12) . . . . ?
C44 C41 C40 C39 175.4(8) . . . . ?
C6 C5 C8 C48 58.6(13) . . . . ?
C6 C5 C8 C9 -119.6(10) . . . . ?
C6 C5 C4 C3 -3.2(15) . . . . ?
C24 N13 C21 C22 -1.0(11) . . . . ?
C24 N13 C21 C13 -175.3(10) . . . . ?
C8 C5 C6 C7 -175.6(9) . . . . ?
C8 C5 C4 C3 172.4(8) . . . . ?
C8 C9 N14 Zn7 -4.7(14) . . . . ?
C8 C9 N14 C12 179.6(10) . . . . ?
C12 C13 C14 C15 -64.1(13) . . . . ?
C12 C13 C14 C19 119.5(10) . . . . ?
C45 N11 C48 C47 0.1(11) . . . . ?
C45 N11 C48 C8 -179.1(10) . . . . ?
C4 C3 C2 C1 -179.7(8) . . . . ?
C4 C3 C2 C7 -8.8(15) . . . . ?
C4 C5 C6 C7 0.0(16) . . . . ?
C4 C5 C8 C48 -116.9(10) . . . . ?
C4 C5 C8 C9 64.9(13) . . . . ?
C16 C15 C14 C13 -177.6(8) . . . . ?
C16 C15 C14 C19 -1.2(14) . . . . ?
C36 C35 C34 C33 -6.3(12) . . . . ?
C23 C24 C25 C33 -173.7(9) . . . . ?
C23 C24 C25 C26 -2.7(15) . . . . ?
C37 C38 C43 C42 177.3(9) . . . . ?
C37 C38 C39 C40 -177.2(8) . . . . ?
C25 C33 N12 Zn7 -0.3(15) . . . . ?
C25 C33 N12 C36 -176.8(10) . . . . ?
C25 C33 C34 C35 179.5(9) . . . . ?
C25 C24 C23 C22 -177.8(10) . . . . ?
C18 C19 C14 C13 174.1(9) . . . . ?
C18 C19 C14 C15 -2.5(15) . . . . ?
C7 C2 C1 O1 173.6(9) . . . . ?
C7 C2 C1 O2 -7.5(13) . . . . ?
O21 C116 O22 Zn2 -3.9(6) . . . 1_665 ?
C40 C41 C44 O3 0.8(11) . . . . ?
C40 C41 C44 O4 -175.2(7) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.364 -0.026 0.031 16108 5268 ' '
_platon_squeeze_details          ?
####################################################################### 
# 
# 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_p_sq_d_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 1848724'
loop_
_audit_author_name
_audit_author_address
'Bruker APEX-II CCD'
;Huazhong University of Science and Technology
China
;
_audit_update_record             
;
2018-06-12 deposited with the CCDC.	2019-04-29 downloaded from the CCDC.
;
_audit_creation_date             2018-06-07
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5335)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C168 H120 N48 O36 Zn13'
_chemical_formula_sum            'C168 H120 N48 O36 Zn13'
_chemical_formula_weight         4236.92
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn -1.5491 0.6778 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   19.0940(16)
_cell_length_b                   24.290(2)
_cell_length_c                   24.738(2)
_cell_angle_alpha                61.042(5)
_cell_angle_beta                 73.947(6)
_cell_angle_gamma                82.746(6)
_cell_volume                     9647.0(16)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    9033
_cell_measurement_temperature    100.01
_cell_measurement_theta_max      59.20
_cell_measurement_theta_min      2.41
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.205
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            violet
_exptl_crystal_colour_primary    violet
_exptl_crystal_density_diffrn    0.729
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2142
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_unetI/netI     0.0867
_diffrn_reflns_Laue_measured_fraction_full 0.954
_diffrn_reflns_Laue_measured_fraction_max 0.954
_diffrn_reflns_limit_h_max       ?
_diffrn_reflns_limit_h_min       ?
_diffrn_reflns_limit_k_max       ?
_diffrn_reflns_limit_k_min       ?
_diffrn_reflns_limit_l_max       ?
_diffrn_reflns_limit_l_min       ?
_diffrn_reflns_number            27007
_diffrn_reflns_point_group_measured_fraction_full 0.954
_diffrn_reflns_point_group_measured_fraction_max 0.954
_diffrn_reflns_theta_full        59.616
_diffrn_reflns_theta_max         59.616
_diffrn_reflns_theta_min         2.152
_diffrn_ambient_temperature      100.01
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.954
_diffrn_measured_fraction_theta_max 0.954
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_diffrn_special_details          ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                15654
_reflns_number_total             27007
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'XS (Sheldrick, 2008)'
_refine_diff_density_max         2.323
_refine_diff_density_min         -0.769
_refine_diff_density_rms         0.125
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.138
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1201
_refine_ls_number_reflns         27007
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.1576
_refine_ls_R_factor_gt           0.1128
_refine_ls_restrained_S_all      1.142
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3024
_refine_ls_wR_factor_ref         0.3258
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C37) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C47) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C63) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
3.a Rotating group:
 O3W(H3Wa,H3Wb), O2W(H2Wa,H2Wb), O4W(H4Wa,H4Wb), O1W(H1Wa,H1Wb), O5W(H5Wa,
 H5Wb), O6W(H6Wa,H6Wb)
3.b Aromatic/amide H refined with riding coordinates:
 C82(H82), C46(H46), C76(H76), C61(H61), C22(H22), C47(H47), C75(H75),
 C23(H23), C83(H83), C60(H60), C81(H81), C35(H35), C16(H16), C30(H30), C31(H31),
  C84(H84), C10(H10), C66(H66), C79(H79), C77(H77), C15(H15), C73(H73),
 C19(H19), C78(H78), C80(H80), C34(H34), C18(H18), C65(H65), C11(H11), C74(H74),
  C51(H51), C54(H54), C52(H52), C68(H68), C39(H39), C7(H7), C28(H28), C55(H55),
 C27(H27), C4(H4), C72(H72), C42(H42), C69(H69), C3(H3), C40(H40), C6(H6),
 C43(H43), C58(H58)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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
Zn5 Zn 0.49483(4) 0.51129(3) 1.24704(4) 0.0463(3) Uani 1 1 d . . . . .
Zn3 Zn 0.46181(4) 0.60899(4) 1.08382(4) 0.0491(3) Uani 1 1 d . . . . .
Zn2 Zn 0.52484(5) 0.61527(4) 1.31193(5) 0.0528(3) Uani 1 1 d . . . . .
Zn1 Zn 0.65885(5) 0.41838(4) 1.23333(5) 0.0592(3) Uani 1 1 d . . . . .
Zn4 Zn 0.33386(5) 0.41130(4) 1.35350(5) 0.0610(3) Uani 1 1 d . . . . .
Zn7 Zn 0.0000 1.0000 1.0000 0.0841(6) Uani 1 2 d S T P . .
Zn6 Zn 1.07559(5) 0.00878(4) 1.30482(6) 0.0932(5) Uani 1 1 d . . . . .
N11 N 0.4924(3) 0.6107(2) 1.1988(3) 0.0454(16) Uani 1 1 d . . . . .
N23 N 0.4963(3) 0.4096(2) 1.2968(2) 0.0419(14) Uani 1 1 d . . . . .
N8 N 0.5619(3) 0.5091(2) 1.1606(3) 0.0416(14) Uani 1 1 d . . . . .
O4 O 1.4613(2) 0.32243(18) 0.9914(2) 0.0460(12) Uani 1 1 d . . . . .
N17 N 0.4283(3) 0.5101(2) 1.3348(2) 0.0406(14) Uani 1 1 d . . . . .
N16 N 0.4428(3) 0.5438(2) 1.3591(3) 0.0500(16) Uani 1 1 d . . . . .
N9 N 0.5466(3) 0.5412(2) 1.1037(3) 0.0483(15) Uani 1 1 d . . . . .
N20 N 0.3969(3) 0.5072(2) 1.2203(3) 0.0480(15) Uani 1 1 d . . . . .
O3W O 0.4430(2) 0.5755(2) 1.0214(2) 0.0643(15) Uani 1 1 d . . . . .
H3WA H 0.4676 0.5411 1.0272 0.096 Uiso 1 1 d GR . . . .
H3WB H 0.4615 0.6023 0.9816 0.096 Uiso 1 1 d GR . . . .
N24 N 0.4385(3) 0.3722(2) 1.3334(2) 0.0490(15) Uani 1 1 d . . . . .
N14 N 0.5929(3) 0.5133(3) 1.2749(3) 0.0473(15) Uani 1 1 d . . . . .
O6 O 1.4481(3) -0.31699(19) 1.3210(3) 0.0574(14) Uani 1 1 d . . . . .
O2W O 0.5446(2) 0.5900(2) 1.4032(2) 0.0591(14) Uani 1 1 d . . . . .
H2WA H 0.5336 0.5501 1.4298 0.089 Uiso 1 1 d GR . . . .
H2WB H 0.5142 0.6102 1.4210 0.089 Uiso 1 1 d GR . . . .
O3 O 1.4410(3) 0.3518(2) 1.0676(3) 0.0682(16) Uani 1 1 d . . . . .
O9 O 0.3792(3) 0.6746(2) 1.0586(2) 0.0534(13) Uani 1 1 d . . . . .
N18 N 0.3745(3) 0.4695(3) 1.3782(3) 0.0612(18) Uani 1 1 d . . . . .
N3 N 1.0736(3) -0.0867(2) 1.3510(3) 0.074(2) Uani 1 1 d . . . . .
N10 N 0.4815(3) 0.6458(2) 1.1402(3) 0.0546(17) Uani 1 1 d . . . . .
N19 N 0.3836(3) 0.5424(2) 1.1616(3) 0.0512(16) Uani 1 1 d . . . . .
O12 O 0.3936(3) 1.3165(2) 0.7307(3) 0.0688(17) Uani 1 1 d . . . . .
N21 N 0.3379(3) 0.4707(3) 1.2587(3) 0.0552(17) Uani 1 1 d . . . . .
N15 N 0.6040(3) 0.5496(2) 1.2992(3) 0.0461(15) Uani 1 1 d . . . . .
N1 N 1.0753(3) 0.1034(2) 1.2476(3) 0.068(2) Uani 1 1 d . . . . .
N2 N 0.9639(3) 0.0074(2) 1.3282(3) 0.078(2) Uani 1 1 d . . . . .
C82 C 0.4857(4) 0.7060(3) 1.1316(6) 0.090(4) Uani 1 1 d . . . . .
H82 H 0.4773 0.7429 1.0952 0.108 Uiso 1 1 calc R . . . .
O11 O 0.3370(3) 1.3393(3) 0.6529(3) 0.0863(19) Uani 1 1 d . . . . .
N22 N 0.5552(3) 0.3741(2) 1.2926(3) 0.0444(14) Uani 1 1 d . . . . .
N7 N 0.6185(3) 0.4721(2) 1.1563(3) 0.0530(16) Uani 1 1 d . . . . .
O10 O 0.3284(3) 0.6483(3) 1.0026(3) 0.0730(16) Uani 1 1 d . . . . .
O1 O 0.7154(4) 0.3400(3) 1.2774(4) 0.102(3) Uani 1 1 d . . . . .
C46 C 0.8461(3) -0.0245(3) 1.3770(4) 0.076(3) Uani 1 1 d . . . . .
H46 H 0.8048 -0.0515 1.4023 0.091 Uiso 1 1 calc R . . . .
C14 C 1.2658(4) 0.1720(3) 1.1599(4) 0.060(2) Uani 1 1 d . . . . .
N12 N 0.5038(3) 0.6478(3) 1.2187(3) 0.0525(17) Uani 1 1 d . . . . .
C76 C 0.5388(5) 0.3163(4) 1.3247(4) 0.069(2) Uani 1 1 d . . . . .
H76 H 0.5706 0.2819 1.3287 0.083 Uiso 1 1 calc R . . . .
O4W O 0.2244(3) 0.4482(3) 1.3756(3) 0.091(2) Uani 1 1 d . . . . .
H4WA H 0.1950 0.4387 1.4131 0.137 Uiso 1 1 d GR . . . .
H4WB H 0.2004 0.4757 1.3485 0.137 Uiso 1 1 d GR . . . .
C38 C 0.8843(5) -0.1572(4) 1.4408(5) 0.084(3) Uani 1 1 d . . . . .
C12 C 1.1355(4) 0.1422(3) 1.2108(4) 0.082(3) Uani 1 1 d . . . . .
C9 C 1.0177(4) 0.1418(3) 1.2421(5) 0.085(3) Uani 1 1 d . . . . .
C17 C 1.3737(4) 0.2665(3) 1.0847(3) 0.052(2) Uani 1 1 d . . . . .
C61 C 0.2250(4) 1.0284(4) 0.8974(4) 0.075(3) Uani 1 1 d . . . . .
H61 H 0.2661 1.0543 0.8685 0.090 Uiso 1 1 calc R . . . .
N4 N 1.1855(3) 0.0079(2) 1.2663(3) 0.0635(19) Uani 1 1 d . . . . .
N13 N 0.6549(3) 0.4781(2) 1.2708(3) 0.0562(17) Uani 1 1 d . . . . .
C22 C 1.3043(4) 0.0390(3) 1.2173(4) 0.082(3) Uani 1 1 d . . . . .
H22 H 1.3456 0.0659 1.1919 0.098 Uiso 1 1 calc R . . . .
C26 C 1.2643(4) -0.1571(3) 1.3339(4) 0.067(3) Uani 1 1 d . . . . .
C29 C 1.3659(4) -0.2528(3) 1.3543(4) 0.056(2) Uani 1 1 d . . . . .
C5 C 0.8854(4) 0.1718(4) 1.2651(5) 0.083(3) Uani 1 1 d . . . . .
O2 O 0.7008(3) 0.3402(3) 1.1919(4) 0.093(2) Uani 1 1 d . . . . .
C47 C 0.8450(4) 0.0395(4) 1.3439(4) 0.079(3) Uani 1 1 d . U . . .
H47 H 0.8030 0.0653 1.3411 0.095 Uiso 1 1 calc R . . . .
O1W O 0.7710(3) 0.4600(3) 1.1738(3) 0.103(2) Uani 1 1 d . . . . .
H1WA H 0.8124 0.4396 1.1679 0.154 Uiso 1 1 d GR . . . .
H1WB H 0.7837 0.5007 1.1509 0.154 Uiso 1 1 d GR . . . .
C33 C 1.1336(4) -0.1263(4) 1.3550(5) 0.088(3) Uani 1 1 d . . . . .
C75 C 0.4643(5) 0.3133(3) 1.3530(4) 0.075(3) Uani 1 1 d . . . . .
H75 H 0.4365 0.2759 1.3816 0.090 Uiso 1 1 calc R . . . .
O8 O 0.7014(4) -0.3312(3) 1.5397(4) 0.129(3) Uani 1 1 d . . . . .
C2 C 0.7818(4) 0.2660(4) 1.2485(6) 0.085(3) Uani 1 1 d . . . . .
C23 C 1.3060(4) -0.0233(3) 1.2505(4) 0.080(3) Uani 1 1 d . . . . .
H23 H 1.3479 -0.0493 1.2541 0.096 Uiso 1 1 calc R . . . .
C83 C 0.3512(4) 0.4788(4) 1.4296(4) 0.071(2) Uani 1 1 d . . . . .
H83 H 0.3142 0.4566 1.4672 0.085 Uiso 1 1 calc R . . . .
C60 C 0.2233(4) 0.9655(4) 0.9280(4) 0.082(3) Uani 1 1 d . . . . .
H60 H 0.2626 0.9385 0.9239 0.098 Uiso 1 1 calc R . . . .
C48 C 0.9187(4) 0.0604(3) 1.3142(4) 0.069(3) Uani 1 1 d . . . . .
C36 C 1.0145(4) -0.1254(3) 1.3866(5) 0.092(4) Uani 1 1 d . . . . .
C13 C 1.2076(3) 0.1214(3) 1.2012(4) 0.064(2) Uani 1 1 d . . . . .
C8 C 0.9420(4) 0.1213(3) 1.2759(4) 0.077(3) Uani 1 1 d . . . . .
O5 O 1.4314(3) -0.3363(3) 1.4187(3) 0.0795(17) Uani 1 1 d . . . . .
C53 C 0.1826(5) 0.8310(4) 1.0091(6) 0.099(4) Uani 1 1 d . . . . .
C32 C 1.4189(4) -0.3050(4) 1.3671(4) 0.054(2) Uani 1 1 d . . . . .
C81 C 0.5024(5) 0.7064(4) 1.1783(4) 0.063(2) Uani 1 1 d . . . . .
H81 H 0.5116 0.7418 1.1821 0.076 Uiso 1 1 calc R . . . .
N5 N 0.1079(3) 0.9980(3) 0.9590(4) 0.083(2) Uani 1 1 d . . . . .
C21 C 1.2285(4) 0.0596(3) 1.2263(4) 0.070(3) Uani 1 1 d . . . . .
C35 C 1.0364(5) -0.1897(3) 1.4151(5) 0.112(4) Uani 1 1 d . . . . .
H35 H 1.0057 -0.2254 1.4441 0.134 Uiso 1 1 calc R . . . .
C16 C 1.3592(4) 0.2266(3) 1.0650(4) 0.066(2) Uani 1 1 d . . . . .
H16 H 1.3859 0.2317 1.0242 0.080 Uiso 1 1 calc R . . . .
C25 C 1.2062(4) -0.1060(3) 1.3215(4) 0.067(3) Uani 1 1 d . . . . .
N6 N 0.0032(3) 1.0953(3) 0.9544(4) 0.102(3) Uani 1 1 d . . . . .
C1 C 0.7260(5) 0.3190(4) 1.2411(6) 0.083(3) Uani 1 1 d . . . . .
C67 C 0.2911(4) 1.2554(3) 0.7577(5) 0.066(2) Uani 1 1 d . . . . .
C30 C 1.3456(4) -0.2208(4) 1.2975(4) 0.064(2) Uani 1 1 d . . . . .
H30 H 1.3668 -0.2327 1.2651 0.076 Uiso 1 1 calc R . . . .
C24 C 1.2295(4) -0.0436(3) 1.2803(4) 0.071(3) Uani 1 1 d . . . . .
O7 O 0.7202(4) -0.3296(3) 1.6236(4) 0.127(4) Uani 1 1 d . . . . .
C31 C 1.2967(4) -0.1733(3) 1.2855(4) 0.068(2) Uani 1 1 d . . . . .
H31 H 1.2849 -0.1516 1.2454 0.082 Uiso 1 1 calc R . . . .
C45 C 0.9207(4) -0.0440(3) 1.3671(4) 0.079(3) Uani 1 1 d . . . . .
C84 C 0.3925(5) 0.5268(4) 1.4152(4) 0.082(3) Uani 1 1 d . . . . .
H84 H 0.3872 0.5465 1.4412 0.099 Uiso 1 1 calc R . . . .
C10 C 1.0386(4) 0.2055(3) 1.2012(5) 0.099(4) Uani 1 1 d . . . . .
H10 H 1.0074 0.2409 1.1904 0.118 Uiso 1 1 calc R . . . .
C64 C 0.1895(4) 1.1616(4) 0.8455(6) 0.090(4) Uani 1 1 d . . . . .
C66 C 0.2934(5) 1.2211(4) 0.8181(5) 0.085(3) Uani 1 1 d . . . . .
H66 H 0.3316 1.2291 0.8312 0.102 Uiso 1 1 calc R . . . .
C50 C 0.2817(4) 0.7357(3) 1.0202(4) 0.061(2) Uani 1 1 d . . . . .
C79 C 0.6985(5) 0.4938(4) 1.2944(5) 0.074(3) Uani 1 1 d . . . . .
H79 H 0.7449 0.4758 1.2992 0.089 Uiso 1 1 calc R . . . .
C77 C 0.5965(5) 0.5237(4) 1.0648(4) 0.077(3) Uani 1 1 d . . . . .
H77 H 0.6011 0.5400 1.0204 0.092 Uiso 1 1 calc R . . . .
C41 C 0.7840(5) -0.2529(4) 1.5221(6) 0.111(5) Uani 1 1 d . . . . .
C20 C 1.4297(4) 0.3180(3) 1.0452(4) 0.0395(16) Uani 1 1 d . . . . .
C15 C 1.3075(4) 0.1793(3) 1.1012(4) 0.065(2) Uani 1 1 d . . . . .
H15 H 1.3005 0.1517 1.0861 0.078 Uiso 1 1 calc R . . . .
C71 C 0.0620(4) 1.1330(3) 0.9140(6) 0.125(5) Uani 1 1 d . . . . .
C73 C 0.3159(4) 0.5278(4) 1.1676(5) 0.076(3) Uani 1 1 d . . . . .
H73 H 0.2913 0.5470 1.1344 0.092 Uiso 1 1 calc R . . . .
C19 C 1.2786(4) 0.2126(4) 1.1815(4) 0.087(3) Uani 1 1 d . . . . .
H19 H 1.2506 0.2078 1.2219 0.104 Uiso 1 1 calc R . . . .
C78 C 0.6379(4) 0.4806(3) 1.0980(4) 0.061(2) Uani 1 1 d . . . . .
H78 H 0.6760 0.4590 1.0821 0.074 Uiso 1 1 calc R . . . .
C62 C 0.1520(4) 1.0497(4) 0.9167(5) 0.087(3) Uani 1 1 d . . . . .
C37 C 0.9420(4) -0.1055(3) 1.3946(4) 0.074(3) Uani 1 1 d . U . . .
C80 C 0.6702(5) 0.5368(4) 1.3102(5) 0.073(3) Uani 1 1 d . . . . .
H80 H 0.6927 0.5560 1.3268 0.088 Uiso 1 1 calc R . . . .
O5W O 1.0901(4) 0.0156(4) 1.3917(4) 0.137(3) Uani 1 1 d . . . . .
H5WA H 1.0847 -0.0153 1.4325 0.206 Uiso 1 1 d GR . . . .
H5WB H 1.1027 0.0502 1.3921 0.206 Uiso 1 1 d GR . . . .
C56 C 0.1249(4) 0.8846(4) 1.0060(5) 0.104(4) Uani 1 1 d . . . . .
C34 C 1.1090(4) -0.1895(3) 1.3928(5) 0.113(4) Uani 1 1 d . . . . .
H34 H 1.1388 -0.2257 1.4009 0.135 Uiso 1 1 calc R . . . .
C18 C 1.3306(4) 0.2591(4) 1.1456(4) 0.072(2) Uani 1 1 d . . . . .
H18 H 1.3382 0.2865 1.1609 0.086 Uiso 1 1 calc R . . . .
C63 C 0.1317(4) 1.1118(3) 0.8929(5) 0.081(3) Uani 1 1 d . U . . .
C65 C 0.2436(5) 1.1747(4) 0.8627(5) 0.085(3) Uani 1 1 d . . . . .
H65 H 0.2472 1.1518 0.9057 0.102 Uiso 1 1 calc R . . . .
C11 C 1.1115(4) 0.2059(3) 1.1808(5) 0.108(4) Uani 1 1 d . . . . .
H11 H 1.1416 0.2419 1.1517 0.129 Uiso 1 1 calc R . . . .
C44 C 0.7333(5) -0.3104(5) 1.5707(9) 0.113(5) Uani 1 1 d . . . . .
C74 C 0.2878(4) 0.4832(4) 1.2255(4) 0.074(3) Uani 1 1 d . . . . .
H74 H 0.2413 0.4638 1.2408 0.089 Uiso 1 1 calc R . . . .
C59 C 0.1500(4) 0.9459(4) 0.9689(5) 0.096(3) Uani 1 1 d . . . . .
C51 C 0.2836(4) 0.7724(4) 1.0444(5) 0.087(3) Uani 1 1 d . . . . .
H51 H 0.3208 0.7653 1.0658 0.104 Uiso 1 1 calc R . . . .
C54 C 0.1759(6) 0.7942(5) 0.9790(6) 0.114(4) Uani 1 1 d . . . . .
H54 H 0.1401 0.8016 0.9561 0.136 Uiso 1 1 calc R . . . .
C52 C 0.2340(5) 0.8225(4) 1.0413(5) 0.093(3) Uani 1 1 d . . . . .
H52 H 0.2366 0.8480 1.0601 0.112 Uiso 1 1 calc R . . . .
O6W O 0.0357(8) 1.0020(8) 1.0844(6) 0.265(8) Uani 1 1 d . . . . .
H6WA H 0.0131 0.9819 1.1304 0.398 Uiso 1 1 d GR . . . .
H6WB H 0.0767 1.0255 1.0793 0.398 Uiso 1 1 d GR . . . .
C49 C 0.3360(5) 0.6811(4) 1.0290(5) 0.065(2) Uani 1 1 d . . . . .
C68 C 0.2361(5) 1.2435(4) 0.7346(6) 0.109(4) Uani 1 1 d . . . . .
H68 H 0.2345 1.2645 0.6910 0.131 Uiso 1 1 calc R . . . .
C39 C 0.8501(7) -0.1828(5) 1.4175(6) 0.122(5) Uani 1 1 d . . . . .
H39 H 0.8589 -0.1659 1.3726 0.146 Uiso 1 1 calc R . . . .
C7 C 0.8093(6) 0.2456(5) 1.2093(7) 0.115(4) Uani 1 1 d . . . . .
H7 H 0.7924 0.2645 1.1715 0.138 Uiso 1 1 calc R . . . .
C28 C 1.3273(6) -0.2382(4) 1.4018(4) 0.087(3) Uani 1 1 d . . . . .
H28 H 1.3336 -0.2621 1.4439 0.105 Uiso 1 1 calc R . . . .
C55 C 0.2267(5) 0.7477(4) 0.9872(5) 0.089(3) Uani 1 1 d . . . . .
H55 H 0.2251 0.7211 0.9693 0.106 Uiso 1 1 calc R . . . .
C70 C 0.3446(5) 1.3073(4) 0.7104(6) 0.081(3) Uani 1 1 d . . . . .
C27 C 1.2814(4) -0.1903(4) 1.3878(5) 0.085(3) Uani 1 1 d . . . . .
H27 H 1.2590 -0.1793 1.4207 0.102 Uiso 1 1 calc R . . . .
C4 C 0.8584(6) 0.1911(5) 1.3091(6) 0.119(4) Uani 1 1 d . . . . .
H4 H 0.8760 0.1733 1.3464 0.143 Uiso 1 1 calc R . . . .
C72 C 0.0410(5) 1.1972(4) 0.9009(8) 0.166(7) Uani 1 1 d . . . . .
H72 H 0.0735 1.2320 0.8806 0.199 Uiso 1 1 calc R . . . .
C42 C 0.8170(7) -0.2264(6) 1.5411(7) 0.150(6) Uani 1 1 d . . . . .
H42 H 0.8081 -0.2428 1.5859 0.180 Uiso 1 1 calc R . . . .
C69 C 0.1827(5) 1.1956(5) 0.7856(7) 0.119(5) Uani 1 1 d . . . . .
H69 H 0.1412 1.1883 0.7756 0.143 Uiso 1 1 calc R . . . .
C3 C 0.8063(7) 0.2356(5) 1.3008(7) 0.133(5) Uani 1 1 d . . . . .
H3 H 0.7861 0.2458 1.3345 0.159 Uiso 1 1 calc R . . . .
C40 C 0.8033(6) -0.2322(5) 1.4565(6) 0.117(4) Uani 1 1 d . . . . .
H40 H 0.7839 -0.2526 1.4392 0.140 Uiso 1 1 calc R . . . .
C6 C 0.8609(5) 0.1992(5) 1.2141(7) 0.112(4) Uani 1 1 d . . . . .
H6 H 0.8780 0.1877 1.1810 0.134 Uiso 1 1 calc R . . . .
C43 C 0.8643(7) -0.1763(5) 1.5037(6) 0.132(5) Uani 1 1 d . . . . .
H43 H 0.8823 -0.1558 1.5217 0.159 Uiso 1 1 calc R . . . .
C57 C -0.0536(4) 1.1342(4) 0.9616(6) 0.129(5) Uani 1 1 d . . . . .
C58 C -0.0289(5) 1.1993(4) 0.9212(8) 0.180(8) Uani 1 1 d . . . . .
H58 H -0.0582 1.2359 0.9116 0.216 Uiso 1 1 calc R . . . .


_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
Zn5 N11 2.115(5) . ?
Zn5 N23 2.161(5) . ?
Zn5 N8 2.189(6) . ?
Zn5 N17 2.180(5) . ?
Zn5 N20 2.176(6) . ?
Zn5 N14 2.180(6) . ?
Zn3 O4 2.121(4) 2_767 ?
Zn3 N9 2.136(5) . ?
Zn3 O3W 2.185(6) . ?
Zn3 O9 2.088(5) . ?
Zn3 N10 2.115(7) . ?
Zn3 N19 2.135(5) . ?
Zn2 N16 2.132(5) . ?
Zn2 O6 2.115(5) 1_465 ?
Zn2 O2W 2.165(5) . ?
Zn2 O12 2.083(5) 2_677 ?
Zn2 N15 2.131(6) . ?
Zn2 N12 2.186(7) . ?
Zn1 N22 2.152(5) . ?
Zn1 N7 2.020(6) . ?
Zn1 O1 2.025(7) . ?
Zn1 N13 2.050(6) . ?
Zn1 O1W 2.266(6) . ?
Zn1 C1 2.533(10) . ?
Zn4 N24 2.137(6) . ?
Zn4 N18 2.086(6) . ?
Zn4 N21 2.058(6) . ?
Zn4 O4W 2.201(5) . ?
Zn4 O8 2.364(8) 2_658 ?
Zn4 O7 2.104(8) 2_658 ?
Zn4 C44 2.487(12) 2_658 ?
Zn7 N5 2.035(6) . ?
Zn7 N5 2.035(6) 2_577 ?
Zn7 N6 2.027(6) 2_577 ?
Zn7 N6 2.027(6) . ?
Zn7 O6W 2.392(14) . ?
Zn7 O6W 2.392(14) 2_577 ?
Zn6 N3 2.028(5) . ?
Zn6 N1 2.034(5) . ?
Zn6 N2 2.050(6) . ?
Zn6 N4 2.054(6) . ?
Zn6 O5W 2.325(9) . ?
N11 N10 1.339(8) . ?
N11 N12 1.279(8) . ?
N23 N24 1.329(7) . ?
N23 N22 1.341(7) . ?
N8 N9 1.335(7) . ?
N8 N7 1.329(7) . ?
O4 Zn3 2.121(4) 2_767 ?
O4 C20 1.258(8) . ?
N17 N16 1.317(7) . ?
N17 N18 1.342(7) . ?
N16 C84 1.351(9) . ?
N9 C77 1.342(9) . ?
N20 N19 1.360(7) . ?
N20 N21 1.343(7) . ?
N24 C75 1.344(9) . ?
N14 N15 1.348(7) . ?
N14 N13 1.380(7) . ?
O6 Zn2 2.115(5) 1_645 ?
O6 C32 1.275(9) . ?
O3 C20 1.257(8) . ?
O9 C49 1.197(11) . ?
N18 C83 1.344(10) . ?
N3 C33 1.392(9) . ?
N3 C36 1.360(8) . ?
N10 C82 1.380(10) . ?
N19 C73 1.333(9) . ?
O12 Zn2 2.083(5) 2_677 ?
O12 C70 1.265(12) . ?
N21 C74 1.342(10) . ?
N15 C80 1.333(9) . ?
N1 C12 1.379(8) . ?
N1 C9 1.341(9) . ?
N2 C48 1.404(9) . ?
N2 C45 1.351(9) . ?
C82 C81 1.285(13) . ?
O11 C70 1.289(12) . ?
N22 C76 1.264(9) . ?
N7 C78 1.302(9) . ?
O10 C49 1.291(11) . ?
O1 C1 1.197(14) . ?
C46 C47 1.364(10) . ?
C46 C45 1.436(10) . ?
C14 C13 1.515(8) . ?
C14 C15 1.385(11) . ?
C14 C19 1.400(12) . ?
N12 C81 1.286(9) . ?
C76 C75 1.393(12) . ?
C38 C37 1.536(9) . ?
C38 C39 1.341(14) . ?
C38 C43 1.343(15) . ?
C12 C13 1.401(9) . ?
C12 C11 1.433(10) . ?
C9 C8 1.464(10) . ?
C9 C10 1.412(10) . ?
C17 C16 1.362(11) . ?
C17 C20 1.498(9) . ?
C17 C18 1.439(11) . ?
C61 C60 1.335(10) . ?
C61 C62 1.460(10) . ?
N4 C21 1.356(8) . ?
N4 C24 1.365(9) . ?
N13 C79 1.321(9) . ?
C22 C23 1.329(10) . ?
C22 C21 1.462(9) . ?
C26 C25 1.528(10) . ?
C26 C31 1.397(11) . ?
C26 C27 1.293(12) . ?
C29 C32 1.483(10) . ?
C29 C30 1.378(11) . ?
C29 C28 1.381(10) . ?
C5 C8 1.501(10) . ?
C5 C4 1.337(15) . ?
C5 C6 1.301(15) . ?
O2 C1 1.277(13) . ?
C47 C48 1.423(9) . ?
C33 C25 1.412(9) . ?
C33 C34 1.416(10) . ?
O8 Zn4 2.364(8) 2_658 ?
O8 C44 1.389(17) . ?
C2 C1 1.536(12) . ?
C2 C7 1.257(14) . ?
C2 C3 1.327(15) . ?
C23 C24 1.467(9) . ?
C83 C84 1.334(11) . ?
C60 C59 1.458(11) . ?
C48 C8 1.364(10) . ?
C36 C35 1.429(10) . ?
C36 C37 1.400(10) . ?
C13 C21 1.372(9) . ?
O5 C32 1.203(9) . ?
C53 C56 1.583(11) . ?
C53 C54 1.447(16) . ?
C53 C52 1.364(15) . ?
N5 C62 1.375(9) . ?
N5 C59 1.364(10) . ?
C35 C34 1.342(11) . ?
C16 C15 1.377(9) . ?
C25 C24 1.401(9) . ?
N6 C71 1.360(10) . ?
N6 C57 1.377(10) . ?
C67 C66 1.324(12) . ?
C67 C68 1.442(13) . ?
C67 C70 1.496(11) . ?
C30 C31 1.357(10) . ?
O7 Zn4 2.104(8) 2_658 ?
O7 C44 1.117(17) . ?
C45 C37 1.369(10) . ?
C10 C11 1.342(11) . ?
C64 C63 1.518(10) . ?
C64 C65 1.343(13) . ?
C64 C69 1.337(15) . ?
C66 C65 1.371(11) . ?
C50 C51 1.300(12) . ?
C50 C49 1.542(11) . ?
C50 C55 1.423(12) . ?
C79 C80 1.293(11) . ?
C77 C78 1.309(11) . ?
C41 C44 1.550(13) . ?
C41 C42 1.262(18) . ?
C41 C40 1.396(16) . ?
C71 C63 1.419(12) . ?
C71 C72 1.455(13) . ?
C73 C74 1.316(11) . ?
C19 C18 1.370(11) . ?
C62 C63 1.376(11) . ?
C56 C59 1.379(11) . ?
C56 C57 1.379(11) 2_577 ?
C44 Zn4 2.487(11) 2_658 ?
C51 C52 1.430(12) . ?
C54 C55 1.367(12) . ?
C68 C69 1.468(13) . ?
C39 C40 1.359(13) . ?
C7 C6 1.381(14) . ?
C28 C27 1.328(12) . ?
C4 C3 1.352(14) . ?
C72 C58 1.294(13) . ?
C42 C43 1.371(14) . ?
C57 C56 1.379(11) 2_577 ?
C57 C58 1.456(12) . ?

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
N11 Zn5 N23 179.4(2) . . ?
N11 Zn5 N8 91.4(2) . . ?
N11 Zn5 N17 90.5(2) . . ?
N11 Zn5 N20 90.3(2) . . ?
N11 Zn5 N14 90.9(2) . . ?
N23 Zn5 N8 89.05(19) . . ?
N23 Zn5 N17 89.03(19) . . ?
N23 Zn5 N20 89.4(2) . . ?
N23 Zn5 N14 89.5(2) . . ?
N17 Zn5 N8 178.07(19) . . ?
N17 Zn5 N14 89.7(2) . . ?
N20 Zn5 N8 89.9(2) . . ?
N20 Zn5 N17 90.2(2) . . ?
N20 Zn5 N14 178.8(2) . . ?
N14 Zn5 N8 90.1(2) . . ?
O4 Zn3 N9 90.00(18) 2_767 . ?
O4 Zn3 O3W 92.33(18) 2_767 . ?
O4 Zn3 N19 177.5(2) 2_767 . ?
N9 Zn3 O3W 87.5(2) . . ?
O9 Zn3 O4 88.91(17) . 2_767 ?
O9 Zn3 N9 175.9(2) . . ?
O9 Zn3 O3W 88.6(2) . . ?
O9 Zn3 N10 90.0(2) . . ?
O9 Zn3 N19 90.15(19) . . ?
N10 Zn3 O4 85.11(19) . 2_767 ?
N10 Zn3 N9 93.8(2) . . ?
N10 Zn3 O3W 177.14(19) . . ?
N10 Zn3 N19 92.6(2) . . ?
N19 Zn3 N9 91.1(2) . . ?
N19 Zn3 O3W 90.0(2) . . ?
N16 Zn2 O2W 89.4(2) . . ?
N16 Zn2 N12 93.0(2) . . ?
O6 Zn2 N16 91.66(19) 1_465 . ?
O6 Zn2 O2W 90.3(2) 1_465 . ?
O6 Zn2 N15 177.8(2) 1_465 . ?
O6 Zn2 N12 86.3(2) 1_465 . ?
O2W Zn2 N12 175.9(2) . . ?
O12 Zn2 N16 177.6(3) 2_677 . ?
O12 Zn2 O6 88.83(19) 2_677 1_465 ?
O12 Zn2 O2W 88.3(2) 2_677 . ?
O12 Zn2 N15 89.6(2) 2_677 . ?
O12 Zn2 N12 89.3(2) 2_677 . ?
N15 Zn2 N16 89.9(2) . . ?
N15 Zn2 O2W 91.1(2) . . ?
N15 Zn2 N12 92.2(2) . . ?
N22 Zn1 O1W 176.9(2) . . ?
N22 Zn1 C1 96.6(2) . . ?
N7 Zn1 N22 93.2(2) . . ?
N7 Zn1 O1 146.0(3) . . ?
N7 Zn1 N13 102.2(2) . . ?
N7 Zn1 O1W 89.4(2) . . ?
N7 Zn1 C1 118.3(4) . . ?
O1 Zn1 N22 93.2(2) . . ?
O1 Zn1 N13 110.4(3) . . ?
O1 Zn1 O1W 83.7(3) . . ?
O1 Zn1 C1 27.7(3) . . ?
N13 Zn1 N22 95.1(2) . . ?
N13 Zn1 O1W 86.0(2) . . ?
N13 Zn1 C1 136.8(4) . . ?
O1W Zn1 C1 80.6(3) . . ?
N24 Zn4 O4W 177.9(2) . . ?
N24 Zn4 O8 94.7(2) . 2_658 ?
N24 Zn4 C44 97.5(3) . 2_658 ?
N18 Zn4 N24 92.9(2) . . ?
N18 Zn4 O4W 88.8(2) . . ?
N18 Zn4 O8 93.3(3) . 2_658 ?
N18 Zn4 O7 152.4(3) . 2_658 ?
N18 Zn4 C44 125.9(5) . 2_658 ?
N21 Zn4 N24 93.5(2) . . ?
N21 Zn4 N18 101.4(2) . . ?
N21 Zn4 O4W 87.4(2) . . ?
N21 Zn4 O8 162.8(3) . 2_658 ?
N21 Zn4 O7 105.4(3) . 2_658 ?
N21 Zn4 C44 130.5(5) . 2_658 ?
O4W Zn4 O8 83.9(2) . 2_658 ?
O4W Zn4 C44 80.5(3) . 2_658 ?
O8 Zn4 C44 33.2(4) 2_658 2_658 ?
O7 Zn4 N24 92.1(3) 2_658 . ?
O7 Zn4 O4W 85.9(3) 2_658 . ?
O7 Zn4 O8 59.2(3) 2_658 2_658 ?
O7 Zn4 C44 26.5(5) 2_658 2_658 ?
N5 Zn7 N5 180.0 2_577 . ?
N5 Zn7 O6W 87.4(4) 2_577 2_577 ?
N5 Zn7 O6W 92.6(4) 2_577 . ?
N5 Zn7 O6W 92.6(4) . 2_577 ?
N5 Zn7 O6W 87.4(4) . . ?
N6 Zn7 N5 90.2(2) 2_577 2_577 ?
N6 Zn7 N5 90.2(2) . . ?
N6 Zn7 N5 89.8(2) 2_577 . ?
N6 Zn7 N5 89.8(2) . 2_577 ?
N6 Zn7 N6 180.0 2_577 . ?
N6 Zn7 O6W 88.4(5) 2_577 2_577 ?
N6 Zn7 O6W 91.6(5) . 2_577 ?
N6 Zn7 O6W 88.4(5) . . ?
N6 Zn7 O6W 91.6(5) 2_577 . ?
O6W Zn7 O6W 180.00(19) 2_577 . ?
N3 Zn6 N1 171.6(3) . . ?
N3 Zn6 N2 88.7(2) . . ?
N3 Zn6 N4 90.0(2) . . ?
N3 Zn6 O5W 93.4(3) . . ?
N1 Zn6 N2 90.0(2) . . ?
N1 Zn6 N4 89.6(2) . . ?
N1 Zn6 O5W 95.0(3) . . ?
N2 Zn6 N4 168.4(3) . . ?
N2 Zn6 O5W 97.4(3) . . ?
N4 Zn6 O5W 94.2(3) . . ?
N10 N11 Zn5 125.1(5) . . ?
N12 N11 Zn5 126.6(5) . . ?
N12 N11 N10 108.2(5) . . ?
N24 N23 Zn5 125.7(4) . . ?
N24 N23 N22 109.0(5) . . ?
N22 N23 Zn5 125.2(4) . . ?
N9 N8 Zn5 123.8(4) . . ?
N7 N8 Zn5 127.3(5) . . ?
N7 N8 N9 108.6(5) . . ?
C20 O4 Zn3 128.7(4) . 2_767 ?
N16 N17 Zn5 124.0(4) . . ?
N16 N17 N18 107.6(5) . . ?
N18 N17 Zn5 127.5(5) . . ?
N17 N16 Zn2 124.5(4) . . ?
N17 N16 C84 106.1(5) . . ?
C84 N16 Zn2 129.3(5) . . ?
N8 N9 Zn3 123.9(4) . . ?
N8 N9 C77 105.9(6) . . ?
C77 N9 Zn3 130.1(6) . . ?
N19 N20 Zn5 126.1(4) . . ?
N21 N20 Zn5 126.6(5) . . ?
N21 N20 N19 107.3(5) . . ?
N23 N24 Zn4 120.3(4) . . ?
N23 N24 C75 105.3(6) . . ?
C75 N24 Zn4 134.3(5) . . ?
N15 N14 Zn5 125.9(4) . . ?
N15 N14 N13 107.5(5) . . ?
N13 N14 Zn5 126.6(5) . . ?
C32 O6 Zn2 132.6(5) . 1_645 ?
C49 O9 Zn3 131.6(6) . . ?
N17 N18 Zn4 118.0(5) . . ?
N17 N18 C83 110.8(6) . . ?
C83 N18 Zn4 130.8(5) . . ?
C33 N3 Zn6 126.7(4) . . ?
C36 N3 Zn6 127.8(4) . . ?
C36 N3 C33 105.5(5) . . ?
N11 N10 Zn3 124.4(4) . . ?
N11 N10 C82 101.7(8) . . ?
C82 N10 Zn3 133.9(7) . . ?
N20 N19 Zn3 121.3(4) . . ?
C73 N19 Zn3 132.5(5) . . ?
C73 N19 N20 106.1(6) . . ?
C70 O12 Zn2 132.2(6) . 2_677 ?
N20 N21 Zn4 120.1(5) . . ?
C74 N21 Zn4 130.8(4) . . ?
C74 N21 N20 109.0(6) . . ?
N14 N15 Zn2 121.9(4) . . ?
C80 N15 Zn2 130.6(5) . . ?
C80 N15 N14 107.5(6) . . ?
C12 N1 Zn6 126.6(5) . . ?
C9 N1 Zn6 127.5(4) . . ?
C9 N1 C12 105.6(5) . . ?
C48 N2 Zn6 125.9(4) . . ?
C45 N2 Zn6 126.1(5) . . ?
C45 N2 C48 107.5(6) . . ?
C81 C82 N10 112.4(8) . . ?
N23 N22 Zn1 119.8(4) . . ?
C76 N22 Zn1 129.1(6) . . ?
C76 N22 N23 111.0(6) . . ?
N8 N7 Zn1 119.5(5) . . ?
C78 N7 Zn1 132.6(5) . . ?
C78 N7 N8 107.9(6) . . ?
C1 O1 Zn1 100.5(7) . . ?
C47 C46 C45 108.0(6) . . ?
C15 C14 C13 121.9(8) . . ?
C15 C14 C19 118.7(6) . . ?
C19 C14 C13 119.3(7) . . ?
N11 N12 Zn2 123.6(4) . . ?
N11 N12 C81 113.7(7) . . ?
C81 N12 Zn2 122.8(6) . . ?
N22 C76 C75 105.8(7) . . ?
C39 C38 C37 119.2(10) . . ?
C39 C38 C43 118.2(9) . . ?
C43 C38 C37 122.5(11) . . ?
N1 C12 C13 124.9(6) . . ?
N1 C12 C11 108.7(6) . . ?
C13 C12 C11 126.3(6) . . ?
N1 C9 C8 124.8(6) . . ?
N1 C9 C10 111.9(6) . . ?
C10 C9 C8 123.3(7) . . ?
C16 C17 C20 123.1(7) . . ?
C16 C17 C18 117.3(7) . . ?
C18 C17 C20 119.6(7) . . ?
C60 C61 C62 107.2(7) . . ?
C21 N4 Zn6 125.3(4) . . ?
C21 N4 C24 107.7(6) . . ?
C24 N4 Zn6 126.8(4) . . ?
N14 N13 Zn1 118.5(5) . . ?
C79 N13 Zn1 136.5(6) . . ?
C79 N13 N14 105.0(6) . . ?
C23 C22 C21 109.0(6) . . ?
C31 C26 C25 118.0(8) . . ?
C27 C26 C25 124.7(8) . . ?
C27 C26 C31 117.1(7) . . ?
C30 C29 C32 122.8(7) . . ?
C30 C29 C28 115.5(7) . . ?
C28 C29 C32 121.3(8) . . ?
C4 C5 C8 119.8(10) . . ?
C6 C5 C8 123.3(11) . . ?
C6 C5 C4 116.9(9) . . ?
C46 C47 C48 106.9(6) . . ?
N3 C33 C25 124.8(6) . . ?
N3 C33 C34 109.0(6) . . ?
C25 C33 C34 125.9(7) . . ?
N24 C75 C76 108.8(6) . . ?
C44 O8 Zn4 78.3(7) . 2_658 ?
C7 C2 C1 127.2(13) . . ?
C7 C2 C3 111.9(11) . . ?
C3 C2 C1 120.8(12) . . ?
C22 C23 C24 105.4(6) . . ?
C84 C83 N18 103.5(6) . . ?
C61 C60 C59 107.6(7) . . ?
N2 C48 C47 108.6(6) . . ?
C8 C48 N2 125.2(6) . . ?
C8 C48 C47 126.2(7) . . ?
N3 C36 C35 110.7(6) . . ?
N3 C36 C37 125.1(6) . . ?
C37 C36 C35 124.3(6) . . ?
C12 C13 C14 116.3(6) . . ?
C21 C13 C14 118.6(6) . . ?
C21 C13 C12 125.1(6) . . ?
C9 C8 C5 116.7(6) . . ?
C48 C8 C9 125.6(6) . . ?
C48 C8 C5 117.6(7) . . ?
C54 C53 C56 117.8(11) . . ?
C52 C53 C56 116.8(11) . . ?
C52 C53 C54 125.4(9) . . ?
O6 C32 C29 116.1(7) . . ?
O5 C32 O6 121.6(7) . . ?
O5 C32 C29 122.2(8) . . ?
N12 C81 C82 103.9(8) . . ?
C62 N5 Zn7 125.7(5) . . ?
C59 N5 Zn7 126.9(5) . . ?
C59 N5 C62 107.4(6) . . ?
N4 C21 C22 108.1(6) . . ?
N4 C21 C13 127.6(6) . . ?
C13 C21 C22 124.2(6) . . ?
C34 C35 C36 106.2(6) . . ?
C17 C16 C15 123.1(8) . . ?
C33 C25 C26 116.4(6) . . ?
C24 C25 C26 117.7(6) . . ?
C24 C25 C33 125.8(7) . . ?
C71 N6 Zn7 127.1(5) . . ?
C71 N6 C57 106.9(6) . . ?
C57 N6 Zn7 125.8(5) . . ?
O1 C1 Zn1 51.8(5) . . ?
O1 C1 O2 126.4(9) . . ?
O1 C1 C2 118.1(12) . . ?
O2 C1 Zn1 74.8(5) . . ?
O2 C1 C2 115.1(13) . . ?
C2 C1 Zn1 165.3(9) . . ?
C66 C67 C68 120.6(8) . . ?
C66 C67 C70 122.4(9) . . ?
C68 C67 C70 117.0(10) . . ?
C31 C30 C29 123.2(8) . . ?
N4 C24 C23 109.7(6) . . ?
N4 C24 C25 125.4(6) . . ?
C25 C24 C23 124.7(7) . . ?
C44 O7 Zn4 96.2(10) . 2_658 ?
C30 C31 C26 118.2(8) . . ?
N2 C45 C46 109.0(6) . . ?
N2 C45 C37 127.4(7) . . ?
C37 C45 C46 123.6(6) . . ?
C83 C84 N16 111.6(7) . . ?
C11 C10 C9 106.1(7) . . ?
C65 C64 C63 122.3(10) . . ?
C69 C64 C63 117.6(10) . . ?
C69 C64 C65 120.0(8) . . ?
C67 C66 C65 123.4(10) . . ?
C51 C50 C49 120.6(9) . . ?
C51 C50 C55 116.9(8) . . ?
C55 C50 C49 122.5(8) . . ?
C80 C79 N13 111.7(8) . . ?
C78 C77 N9 108.7(7) . . ?
C42 C41 C44 120.4(14) . . ?
C42 C41 C40 115.7(9) . . ?
C40 C41 C44 123.4(14) . . ?
O4 C20 C17 114.3(6) . . ?
O3 C20 O4 126.6(7) . . ?
O3 C20 C17 119.1(7) . . ?
C16 C15 C14 119.8(8) . . ?
N6 C71 C63 125.2(7) . . ?
N6 C71 C72 107.3(8) . . ?
C63 C71 C72 127.4(7) . . ?
C74 C73 N19 111.1(8) . . ?
C18 C19 C14 121.2(8) . . ?
N7 C78 C77 108.9(6) . . ?
N5 C62 C61 108.8(7) . . ?
C63 C62 C61 124.1(7) . . ?
C63 C62 N5 127.0(7) . . ?
C36 C37 C38 116.1(6) . . ?
C45 C37 C38 119.3(6) . . ?
C45 C37 C36 124.5(6) . . ?
C79 C80 N15 108.2(8) . . ?
C59 C56 C53 116.9(7) . . ?
C59 C56 C57 126.1(8) . 2_577 ?
C57 C56 C53 116.9(7) 2_577 . ?
C35 C34 C33 108.4(7) . . ?
C19 C18 C17 119.8(8) . . ?
C71 C63 C64 117.2(7) . . ?
C62 C63 C64 118.1(7) . . ?
C62 C63 C71 124.4(7) . . ?
C64 C65 C66 119.7(10) . . ?
C10 C11 C12 107.6(6) . . ?
O8 C44 Zn4 68.5(5) . 2_658 ?
O8 C44 C41 110.9(14) . . ?
O7 C44 Zn4 57.3(7) . 2_658 ?
O7 C44 O8 124.4(11) . . ?
O7 C44 C41 124.5(16) . . ?
C41 C44 Zn4 172.4(7) . 2_658 ?
C73 C74 N21 106.4(6) . . ?
N5 C59 C60 108.9(7) . . ?
N5 C59 C56 125.0(7) . . ?
C56 C59 C60 125.6(8) . . ?
C50 C51 C52 124.9(10) . . ?
C55 C54 C53 112.5(11) . . ?
C53 C52 C51 114.8(10) . . ?
O9 C49 O10 128.6(8) . . ?
O9 C49 C50 117.0(9) . . ?
O10 C49 C50 114.4(9) . . ?
C67 C68 C69 112.7(10) . . ?
C38 C39 C40 121.7(11) . . ?
C2 C7 C6 128.4(14) . . ?
C27 C28 C29 119.1(9) . . ?
C54 C55 C50 125.5(11) . . ?
O12 C70 O11 125.3(8) . . ?
O12 C70 C67 116.6(10) . . ?
O11 C70 C67 118.1(11) . . ?
C26 C27 C28 126.3(9) . . ?
C5 C4 C3 120.7(13) . . ?
C58 C72 C71 109.3(8) . . ?
C41 C42 C43 126.7(15) . . ?
C64 C69 C68 123.1(10) . . ?
C2 C3 C4 124.0(13) . . ?
C39 C40 C41 119.4(12) . . ?
C5 C6 C7 118.0(12) . . ?
C38 C43 C42 117.4(13) . . ?
N6 C57 C56 125.7(7) . 2_577 ?
N6 C57 C58 108.7(7) . . ?
C56 C57 C58 124.9(8) 2_577 . ?
C72 C58 C57 106.1(9) . . ?

_platon_squeeze_details          ?
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.098 0.053 0.183 6265 2216 ' '

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_p
_database_code_depnum_ccdc_archive 'CCDC 1848725'
loop_
_audit_author_name
_audit_author_address
'Bruker APEX-II CCD'
;Huazhong University of Science and Technology
China
;
_audit_update_record             
;
2018-06-12 deposited with the CCDC.	2019-04-29 downloaded from the CCDC.
;
_audit_creation_date             2018-06-07
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5335)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C54 H28 N7 O8 Zn3 '
_chemical_formula_sum            'C54 H28 N7 O8 Zn3'
_chemical_formula_weight         1099.01
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn -1.5491 0.6778 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           58
_space_group_name_H-M_alt        'P n n m'
_space_group_name_Hall           '-P 2 2n'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x, y, -z'
'x-1/2, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z-1/2'

_cell_length_a                   17.2954(7)
_cell_length_b                   33.2059(11)
_cell_length_c                   33.2059(11)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     19070.5(12)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9961
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      58.90
_cell_measurement_theta_min      2.66
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.149
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            violet
_exptl_crystal_colour_primary    violet
_exptl_crystal_density_diffrn    0.766
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1110
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_unetI/netI     0.0643
_diffrn_reflns_Laue_measured_fraction_full 0.954
_diffrn_reflns_Laue_measured_fraction_max 0.954
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            13433
_diffrn_reflns_point_group_measured_fraction_full 0.954
_diffrn_reflns_point_group_measured_fraction_max 0.954
_diffrn_reflns_theta_full        59.155
_diffrn_reflns_theta_max         59.155
_diffrn_reflns_theta_min         2.661
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.954
_diffrn_measured_fraction_theta_max 0.954
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6687
_reflns_number_total             13433
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SIR2004 (Burla et al., 2007)'
_refine_diff_density_max         3.518
_refine_diff_density_min         -1.230
_refine_diff_density_rms         0.141
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.315
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     650
_refine_ls_number_reflns         13433
_refine_ls_number_restraints     273
_refine_ls_R_factor_all          0.1897
_refine_ls_R_factor_gt           0.1358
_refine_ls_restrained_S_all      1.361
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3669
_refine_ls_wR_factor_ref         0.4073
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 C41-C44
 1.4 with sigma of 0.01
 C51-C52 \\sim C52-C53 \\sim C53-C54 \\sim C54-C49 \\sim C49-C50 \\sim C50-C51
 with sigma of 0.02
 C51-C49 \\sim C51-C49 \\sim C54-C52 \\sim C54-C50 \\sim C50-C52 \\sim C49-C53
 with sigma of 0.04
 C1G-C1H \\sim C1H-C1I \\sim C1I-C1J \\sim C1J-C1K \\sim C1K-C1L \\sim C1L-C1G
 with sigma of 0.02
 C1G-C1K \\sim C1G-C1K \\sim C1J-C1H \\sim C1J-C1L \\sim C1L-C1H \\sim C1K-C1I
 with sigma of 0.04
3. Restrained planarity
 C49, C50, C51, C52, C53, C54
 with sigma of 0.1
 C1G, C1H, C1I, C1J, C1K, C1L
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
C49 \\sim C50 \\sim C51 \\sim C52 \\sim C53 \\sim C54: within 2A with sigma of
0.04 and sigma for terminal atoms of 0.08
C1G \\sim C1H \\sim C1I \\sim C1J \\sim C1K \\sim C1L: within 2A with sigma of
0.04 and sigma for terminal atoms of 0.08
Uanis(O1) \\sim Ueq, Uanis(N9) \\sim Ueq, Uanis(N8) \\sim Ueq, Uanis(N2) \\sim
Ueq, Uanis(N1) \\sim Ueq, Uanis(N3) \\sim Ueq, Uanis(C38) \\sim Ueq, Uanis(C39)
\\sim Ueq, Uanis(C7) \\sim Ueq, Uanis(C28) \\sim Ueq, Uanis(C37) \\sim Ueq,
Uanis(C48) \\sim Ueq, Uanis(C32) \\sim Ueq, Uanis(C45) \\sim Ueq, Uanis(N9A)
\\sim Ueq, Uanis(N14) \\sim Ueq, Uanis(N15) \\sim Ueq, Uanis(O2) \\sim Ueq,
Uanis(C41) \\sim Ueq, Uanis(C36) \\sim Ueq, Uanis(C6) \\sim Ueq, Uanis(C4)
\\sim Ueq, Uanis(C2) \\sim Ueq, Uanis(C12) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(C18) = Uanis(C17) = Uanis(C16) = Uanis(C15) = Uanis(C14) = Uanis(C20) =
Uanis(C19)
Uanis(N3) = Uanis(N15) = Uanis(N1) = Uanis(N2) = Uanis(N14) = Uanis(N9A)
5. Others
 Sof(C1G)=Sof(C1H)=Sof(H1H)=Sof(C1I)=Sof(H1I)=Sof(C1J)=Sof(H1J)=Sof(C1K)=
 Sof(H1K)=Sof(C1L)=Sof(N9A)=Sof(N14)=Sof(N15)=1-FVAR(1)
 Sof(N1)=Sof(N2)=Sof(N3)=Sof(C49)=Sof(C50)=Sof(H50)=Sof(C51)=Sof(H51)=Sof(C52)=
 Sof(H52)=Sof(C53)=Sof(H53)=Sof(C54)=FVAR(1)
6.a Aromatic/amide H refined with riding coordinates:
 C1H(H1H), C1I(H1I), C1J(H1J), C1K(H1K), C3(H3), C4(H4), C6(H6), C7(H7),
 C10(H10), C11(H11), C15(H15), C16(H16), C19(H19), C20(H20), C22(H22), C24(H24),
  C30(H30), C31(H31), C27(H27), C28(H28), C34(H34), C35(H35), C39(H39),
 C40(H40), C42(H42), C43(H43), C46(H46), C48(H48), C50(H50), C51(H51), C52(H52),
  C53(H53)
6.b Fitted hexagon refined as free rotating group:
 C29(C30,C31,C26,C27,C28), C38(C39,C40,C41,C42,C43)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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 0.32969(7) 0.25042(3) 0.25317(3) 0.0435(4) Uani 1 1 d . . . . .
O1 O 0.2878(4) 0.29073(18) 0.29150(18) 0.074(2) Uani 1 1 d . U . . .
N1 N 0.4254(7) 0.2759(3) 0.2505(4) 0.0381(13) Uani 0.504(6) 1 d . U . A 1
C1 C 0.2159(5) 0.3008(2) 0.3044(2) 0.050(2) Uani 1 1 d . . . . .
C1G C 0.5342(11) 0.2513(5) 0.3206(5) 0.072(6) Uani 0.496(6) 1 d D U . A 2
C1H C 0.5744(13) 0.2552(5) 0.3566(5) 0.092(7) Uani 0.496(6) 1 d D U . A 2
H1H H 0.6280 0.2569 0.3567 0.110 Uiso 0.496(6) 1 calc R . . A 2
C1I C 0.5332(13) 0.2566(7) 0.3919(7) 0.153(11) Uani 0.496(6) 1 d D U . A 2
H1I H 0.5588 0.2617 0.4160 0.183 Uiso 0.496(6) 1 calc R . . A 2
C1J C 0.4547(13) 0.2506(9) 0.3919(6) 0.160(11) Uani 0.496(6) 1 d D U . A 2
H1J H 0.4288 0.2455 0.4159 0.192 Uiso 0.496(6) 1 calc R . . A 2
C1K C 0.4146(14) 0.2521(7) 0.3565(5) 0.125(9) Uani 0.496(6) 1 d D U . A 2
H1K H 0.3611 0.2547 0.3565 0.150 Uiso 0.496(6) 1 calc R . . A 2
C1L C 0.4548(12) 0.2495(6) 0.3208(5) 0.100(7) Uani 0.496(6) 1 d D U . A 2
Zn2 Zn 0.21988(9) 0.49662(4) 0.5000 0.0390(5) Uani 1 2 d S T P . .
O2 O 0.1515(3) 0.28792(17) 0.28664(16) 0.0559(17) Uani 1 1 d . U . . .
N2 N 0.4894(18) 0.2564(8) 0.2517(8) 0.0381(13) Uani 0.504(6) 1 d . U . A 1
C2 C 0.2090(4) 0.33268(19) 0.33606(19) 0.0259(16) Uani 1 1 d . U . . .
Zn3 Zn 0.33976(7) 0.74334(3) 0.25325(3) 0.0486(4) Uani 1 1 d . . . . .
O3 O 0.1774(3) 0.70750(18) 0.29255(15) 0.0577(17) Uani 1 1 d . . . . .
N3 N 0.5487(6) 0.2806(4) 0.2516(3) 0.0381(13) Uani 0.504(6) 1 d . U . A 1
C3 C 0.2750(5) 0.3491(3) 0.3510(4) 0.086(4) Uani 1 1 d . . . . .
H3 H 0.3225 0.3396 0.3419 0.104 Uiso 1 1 calc R . . . .
Zn4 Zn 0.2489(2) 0.49653(5) 0.0000 0.1189(12) Uani 1 2 d S T P . .
O4 O 0.2879(4) 0.7029(2) 0.2964(2) 0.083(2) Uani 1 1 d . . . . .
N4 N 0.2010(5) 0.4351(2) 0.5000 0.033(2) Uani 1 2 d S T P . .
C4 C 0.2735(6) 0.3787(3) 0.3787(3) 0.082(3) Uani 1 1 d . U . . .
H4 H 0.3194 0.3905 0.3873 0.099 Uiso 1 1 calc R . . . .
O5 O 0.1965(11) 0.7090(3) 0.2030(3) 0.205(8) Uani 1 1 d . . . . .
N5 N 0.2052(4) 0.49599(15) 0.43790(16) 0.0411(16) Uani 1 1 d . . . . .
C5 C 0.2002(4) 0.39220(18) 0.39519(18) 0.0275(16) Uani 1 1 d . . . . .
O6 O 0.3068(5) 0.7021(2) 0.20759(18) 0.086(2) Uani 1 1 d . . . . .
N6 N 0.2072(6) 0.5594(2) 0.5000 0.047(3) Uani 1 2 d S T P . .
C6 C 0.1389(7) 0.3747(3) 0.3779(3) 0.106(4) Uani 1 1 d . U . . .
H6 H 0.0899 0.3824 0.3866 0.127 Uiso 1 1 calc R . . . .
O7 O 0.3218(8) 0.2901(2) 0.2145(3) 0.164(5) Uani 1 1 d . . . . .
N7 N 0.2446(12) 0.4375(3) 0.0000 0.157(9) Uani 1 2 d S T P . .
C7 C 0.1438(7) 0.3468(3) 0.3486(4) 0.111(4) Uani 1 1 d . U . . .
H7 H 0.0985 0.3374 0.3369 0.133 Uiso 1 1 calc R . . . .
O8 O 0.1801(6) 0.2879(2) 0.2080(2) 0.105(3) Uani 1 1 d . . . . .
N8 N 0.2490(7) 0.4963(3) 0.0611(3) 0.111(3) Uani 1 1 d . U . . .
C8 C 0.2039(4) 0.4242(2) 0.42709(18) 0.0329(18) Uani 1 1 d . . . . .
N9 N 0.2475(10) 0.5597(4) 0.0000 0.128(6) Uani 1 2 d S TU P . .
N9A N 0.4865(19) 0.2512(8) 0.2569(8) 0.0381(13) Uani 0.496(6) 1 d . U . A 2
C9 C 0.2023(4) 0.46386(19) 0.4154(2) 0.0369(19) Uani 1 1 d . . . . .
C10 C 0.2008(5) 0.4762(2) 0.3728(2) 0.049(2) Uani 1 1 d . . . . .
H10 H 0.1987 0.4593 0.3504 0.059 Uiso 1 1 calc R . . . .
C11 C 0.2032(6) 0.5173(2) 0.3727(2) 0.058(3) Uani 1 1 d . . . . .
H11 H 0.2027 0.5339 0.3502 0.069 Uiso 1 1 calc R . . . .
C12 C 0.2064(5) 0.5299(2) 0.4128(2) 0.046(2) Uani 1 1 d . U . . .
C13 C 0.2104(6) 0.57019(19) 0.4270(3) 0.063(3) Uani 1 1 d . . . . .
N14 N 0.4267(7) 0.2523(3) 0.2771(4) 0.0381(13) Uani 0.496(6) 1 d . U . A 2
C14 C 0.2163(5) 0.6009(3) 0.3947(3) 0.0587(10) Uani 1 1 d . . . . .
N15 N 0.5463(7) 0.2508(3) 0.2780(4) 0.0381(13) Uani 0.496(6) 1 d . U . A 2
C15 C 0.2864(5) 0.6157(3) 0.3800(3) 0.0587(10) Uani 1 1 d . . . . .
H15 H 0.3320 0.6047 0.3900 0.070 Uiso 1 1 calc R . . . .
C16 C 0.2912(5) 0.6439(2) 0.3530(3) 0.0587(10) Uani 1 1 d . . . . .
H16 H 0.3402 0.6528 0.3456 0.070 Uiso 1 1 calc R . . . .
C17 C 0.2273(5) 0.6617(3) 0.3347(3) 0.0587(10) Uani 1 1 d . . . . .
C18 C 0.2299(6) 0.6922(3) 0.3040(3) 0.0587(10) Uani 1 1 d . . . . .
C19 C 0.1568(5) 0.6479(2) 0.3501(3) 0.0587(10) Uani 1 1 d . . . . .
H19 H 0.1113 0.6586 0.3396 0.070 Uiso 1 1 calc R . . . .
C20 C 0.1513(5) 0.6183(2) 0.3810(3) 0.0587(10) Uani 1 1 d . . . . .
H20 H 0.1035 0.6111 0.3916 0.070 Uiso 1 1 calc R . . . .
C21 C 0.1984(5) 0.41108(18) 0.4669(2) 0.043(2) Uani 1 1 d . . . . .
C22 C 0.1963(4) 0.36946(19) 0.4788(2) 0.0348(17) Uani 1 1 d . . . . .
H22 H 0.1952 0.3471 0.4619 0.042 Uiso 1 1 calc R . . . .
C23 C 0.2087(5) 0.5831(2) 0.4672(2) 0.0381(19) Uani 1 1 d . . . . .
C24 C 0.2138(6) 0.6237(2) 0.4797(2) 0.062(3) Uani 1 1 d . . . . .
H24 H 0.2167 0.6462 0.4631 0.074 Uiso 1 1 calc R . . . .
C25 C 0.2432(11) 0.6928(3) 0.1945(3) 0.090(5) Uani 1 1 d . . . . .
C29 C 0.2481(7) 0.6027(2) 0.1040(2) 0.141(7) Uani 1 1 d . . . . .
C30 C 0.3189(6) 0.6126(2) 0.1213(2) 0.182(10) Uani 1 1 d G . . . .
H30 H 0.3637 0.5998 0.1128 0.219 Uiso 1 1 calc R . . . .
C31 C 0.3225(5) 0.6418(3) 0.1513(2) 0.208(11) Uani 1 1 d G . . . .
H31 H 0.3698 0.6484 0.1628 0.250 Uiso 1 1 calc R . . . .
C26 C 0.2555(6) 0.6610(2) 0.1640(2) 0.118(6) Uani 1 1 d G . . . .
C27 C 0.1848(5) 0.6511(2) 0.1468(3) 0.129(6) Uani 1 1 d G . . . .
H27 H 0.1399 0.6640 0.1553 0.155 Uiso 1 1 calc R . . . .
C28 C 0.1811(6) 0.6220(3) 0.1168(3) 0.120(5) Uani 1 1 d G U . . .
H28 H 0.1338 0.6154 0.1052 0.144 Uiso 1 1 calc R . . . .
C32 C 0.2452(9) 0.5695(4) 0.0712(5) 0.130(5) Uani 1 1 d . U . . .
C33 C 0.2435(12) 0.5288(3) 0.0868(3) 0.186(10) Uani 1 1 d . . . . .
C34 C 0.2451(12) 0.5164(4) 0.1270(4) 0.191(10) Uani 1 1 d . . . . .
H34 H 0.2404 0.5333 0.1491 0.229 Uiso 1 1 calc R . . . .
C35 C 0.2543(12) 0.4763(3) 0.1288(4) 0.193(11) Uani 1 1 d . . . . .
H35 H 0.2615 0.4600 0.1512 0.232 Uiso 1 1 calc R . . . .
C36 C 0.2500(9) 0.4642(4) 0.0836(4) 0.120(5) Uani 1 1 d . U . . .
C37 C 0.2508(7) 0.4235(3) 0.0738(3) 0.091(4) Uani 1 1 d . U . . .
C38 C 0.2494(8) 0.3912(2) 0.1059(2) 0.113(5) Uani 1 1 d . U . . .
C39 C 0.3161(6) 0.3801(3) 0.1265(3) 0.197(8) Uani 1 1 d G U . . .
H39 H 0.3629 0.3926 0.1206 0.236 Uiso 1 1 calc R . . . .
C40 C 0.3129(6) 0.3504(3) 0.1560(3) 0.149(7) Uani 1 1 d G . . . .
H40 H 0.3575 0.3431 0.1698 0.179 Uiso 1 1 calc R . . . .
C41 C 0.2430(7) 0.3318(2) 0.1648(2) 0.086(3) Uani 1 1 d DG U . . .
C42 C 0.1763(6) 0.3428(3) 0.1442(3) 0.251(13) Uani 1 1 d G . . . .
H42 H 0.1295 0.3304 0.1502 0.302 Uiso 1 1 calc R . . . .
C43 C 0.1795(6) 0.3725(3) 0.1148(3) 0.205(10) Uani 1 1 d G . . . .
H43 H 0.1349 0.3799 0.1010 0.246 Uiso 1 1 calc R . . . .
C44 C 0.2551(10) 0.3010(3) 0.1963(3) 0.102(5) Uani 1 1 d D . . . .
C45 C 0.2471(9) 0.4101(4) 0.0328(4) 0.124(5) Uani 1 1 d . U . . .
C46 C 0.2442(10) 0.3674(3) 0.0214(3) 0.146(7) Uani 1 1 d . . . . .
H46 H 0.2427 0.3452 0.0384 0.176 Uiso 1 1 calc R . . . .
C47 C 0.2559(11) 0.5836(3) 0.0330(3) 0.165(9) Uani 1 1 d . . . . .
C48 C 0.2487(8) 0.6228(4) 0.0209(3) 0.123(5) Uani 1 1 d . U . . .
H48 H 0.2446 0.6452 0.0376 0.148 Uiso 1 1 calc R . . . .
C49 C 0.4523(10) 0.3206(5) 0.2512(5) 0.083(6) Uani 0.504(6) 1 d D U . A 1
C50 C 0.4095(12) 0.3543(4) 0.2548(5) 0.092(7) Uani 0.504(6) 1 d D U . A 1
H50 H 0.3559 0.3528 0.2561 0.110 Uiso 0.504(6) 1 calc R . . A 1
C51 C 0.4452(13) 0.3896(5) 0.2565(6) 0.126(9) Uani 0.504(6) 1 d D U . A 1
H51 H 0.4163 0.4131 0.2592 0.151 Uiso 0.504(6) 1 calc R . . A 1
C52 C 0.5229(12) 0.3920(6) 0.2542(8) 0.126(9) Uani 0.504(6) 1 d D U . A 1
H52 H 0.5466 0.4171 0.2540 0.151 Uiso 0.504(6) 1 calc R . . A 1
C53 C 0.5666(12) 0.3586(4) 0.2522(5) 0.080(6) Uani 0.504(6) 1 d D U . A 1
H53 H 0.6203 0.3602 0.2511 0.095 Uiso 0.504(6) 1 calc R . . A 1
C54 C 0.5301(10) 0.3227(4) 0.2518(5) 0.068(5) Uani 0.504(6) 1 d D U . A 1


_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 O1 1.984(5) . ?
Zn1 N1 1.862(12) . ?
Zn1 Zn3 2.9478(18) 3_545 ?
Zn1 O3 2.086(5) 3_545 ?
Zn1 O5 2.053(10) 3_545 ?
Zn1 O7 1.846(7) . ?
Zn1 N14 1.857(12) . ?
O1 C1 1.357(11) . ?
N1 N2 1.28(3) . ?
N1 C49 1.556(19) . ?
C1 O2 1.331(8) . ?
C1 C2 1.497(10) . ?
C1G C1H 1.389(15) . ?
C1G C1L 1.376(16) . ?
C1G N15 1.43(2) . ?
C1H H1H 0.9300 . ?
C1H C1I 1.373(16) . ?
C1I H1I 0.9300 . ?
C1I C1J 1.374(17) . ?
C1J H1J 0.9300 . ?
C1J C1K 1.364(17) . ?
C1K H1K 0.9300 . ?
C1K C1L 1.377(16) . ?
C1L N14 1.53(2) . ?
Zn2 N4 2.068(7) . ?
Zn2 N5 2.078(5) . ?
Zn2 N5 2.078(5) 6_556 ?
Zn2 N6 2.095(7) . ?
O2 Zn3 1.992(5) 3_545 ?
N2 N3 1.30(3) . ?
C2 C3 1.360(10) . ?
C2 C7 1.289(13) . ?
Zn3 Zn1 2.9478(18) 3 ?
Zn3 O2 1.992(5) 3 ?
Zn3 N3 2.087(11) 2_665 ?
Zn3 O4 2.160(6) . ?
Zn3 O6 2.122(7) . ?
Zn3 O8 1.991(7) 3 ?
Zn3 N15 2.145(12) 2_665 ?
O3 Zn1 2.086(5) 3 ?
O3 C18 1.106(10) . ?
N3 Zn3 2.087(11) 2_665 ?
N3 C54 1.435(19) . ?
C3 H3 0.9300 . ?
C3 C4 1.346(12) . ?
Zn4 N7 1.961(11) . ?
Zn4 N8 2.030(10) . ?
Zn4 N8 2.030(10) 6 ?
Zn4 N9 2.096(15) . ?
O4 C18 1.093(10) . ?
N4 C21 1.359(8) 6_556 ?
N4 C21 1.359(8) . ?
C4 H4 0.9300 . ?
C4 C5 1.451(11) . ?
O5 Zn1 2.053(10) 3 ?
O5 C25 1.01(2) . ?
N5 C9 1.304(8) . ?
N5 C12 1.401(8) . ?
C5 C6 1.338(11) . ?
C5 C8 1.502(8) . ?
O6 C25 1.222(17) . ?
N6 C23 1.344(8) 6_556 ?
N6 C23 1.343(8) . ?
C6 H6 0.9300 . ?
C6 C7 1.346(12) . ?
O7 C44 1.353(17) . ?
N7 C45 1.419(15) 6 ?
N7 C45 1.419(15) . ?
C7 H7 0.9300 . ?
O8 Zn3 1.991(7) 3_545 ?
O8 C44 1.423(15) . ?
N8 C33 1.379(12) . ?
N8 C36 1.300(14) . ?
C8 C9 1.373(9) . ?
C8 C21 1.395(9) . ?
N9 C47 1.362(13) 6 ?
N9 C47 1.362(13) . ?
N9A N14 1.23(3) . ?
N9A N15 1.25(3) . ?
C9 C10 1.472(10) . ?
C10 H10 0.9300 . ?
C10 C11 1.367(10) . ?
C11 H11 0.9300 . ?
C11 C12 1.394(9) . ?
C12 C13 1.422(9) . ?
C13 C14 1.484(11) . ?
C13 C23 1.403(11) . ?
C14 C15 1.397(11) . ?
C14 C20 1.343(11) . ?
N15 Zn3 2.145(12) 2_665 ?
C15 H15 0.9300 . ?
C15 C16 1.299(10) . ?
C16 H16 0.9300 . ?
C16 C17 1.395(11) . ?
C17 C18 1.438(12) . ?
C17 C19 1.399(11) . ?
C19 H19 0.9300 . ?
C19 C20 1.425(10) . ?
C20 H20 0.9300 . ?
C21 C22 1.438(8) . ?
C22 C22 1.409(13) 6_556 ?
C22 H22 0.9300 . ?
C23 C24 1.413(9) . ?
C24 C24 1.348(15) 6_556 ?
C24 H24 0.9300 . ?
C25 C26 1.478(13) . ?
C29 C30 1.3900 . ?
C29 C28 1.3900 . ?
C29 C32 1.551(15) . ?
C30 H30 0.9300 . ?
C30 C31 1.3900 . ?
C31 H31 0.9300 . ?
C31 C26 1.3900 . ?
C26 C27 1.3900 . ?
C27 H27 0.9300 . ?
C27 C28 1.3900 . ?
C28 H28 0.9300 . ?
C32 C33 1.446(16) . ?
C32 C47 1.364(17) . ?
C33 C34 1.397(15) . ?
C34 H34 0.9300 . ?
C34 C35 1.343(15) . ?
C35 H35 0.9300 . ?
C35 C36 1.556(17) . ?
C36 C37 1.391(15) . ?
C37 C38 1.512(12) . ?
C37 C45 1.436(15) . ?
C38 C39 1.3900 . ?
C38 C43 1.3900 . ?
C39 H39 0.9300 . ?
C39 C40 1.3900 . ?
C40 H40 0.9300 . ?
C40 C41 1.3900 . ?
C41 C42 1.3900 . ?
C41 C44 1.476(8) . ?
C42 H42 0.9300 . ?
C42 C43 1.3900 . ?
C43 H43 0.9300 . ?
C45 C46 1.469(16) . ?
C46 C46 1.42(2) 6 ?
C46 H46 0.9300 . ?
C47 C48 1.369(14) . ?
C48 C48 1.39(2) 6 ?
C48 H48 0.9300 . ?
C49 C50 1.346(14) . ?
C49 C54 1.346(15) . ?
C50 H50 0.9300 . ?
C50 C51 1.327(14) . ?
C51 H51 0.9300 . ?
C51 C52 1.347(15) . ?
C52 H52 0.9300 . ?
C52 C53 1.343(15) . ?
C53 H53 0.9300 . ?
C53 C54 1.351(14) . ?

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
O1 Zn1 Zn3 74.8(2) . 3_545 ?
O1 Zn1 O3 155.0(3) . 3_545 ?
O1 Zn1 O5 85.2(5) . 3_545 ?
N1 Zn1 O1 92.8(4) . . ?
N1 Zn1 Zn3 156.5(4) . 3_545 ?
N1 Zn1 O3 109.2(4) . 3_545 ?
N1 Zn1 O5 122.3(6) . 3_545 ?
O3 Zn1 Zn3 80.46(15) 3_545 3_545 ?
O5 Zn1 Zn3 77.2(5) 3_545 3_545 ?
O5 Zn1 O3 92.6(4) 3_545 3_545 ?
O7 Zn1 O1 86.4(4) . . ?
O7 Zn1 N1 73.0(6) . . ?
O7 Zn1 Zn3 86.2(5) . 3_545 ?
O7 Zn1 O3 88.7(4) . 3_545 ?
O7 Zn1 O5 162.9(7) . 3_545 ?
O7 Zn1 N14 109.9(6) . . ?
N14 Zn1 O1 91.9(4) . . ?
N14 Zn1 Zn3 158.7(4) . 3_545 ?
N14 Zn1 O3 112.8(4) . 3_545 ?
N14 Zn1 O5 85.3(6) . 3_545 ?
C1 O1 Zn1 134.7(5) . . ?
N2 N1 Zn1 122.4(14) . . ?
N2 N1 C49 102.9(15) . . ?
C49 N1 Zn1 134.3(9) . . ?
O1 C1 C2 117.9(6) . . ?
O2 C1 O1 123.3(7) . . ?
O2 C1 C2 118.1(8) . . ?
C1H C1G N15 141.3(17) . . ?
C1L C1G C1H 119.9(15) . . ?
C1L C1G N15 98.7(13) . . ?
C1G C1H H1H 120.7 . . ?
C1I C1H C1G 118.7(17) . . ?
C1I C1H H1H 120.7 . . ?
C1H C1I H1I 119.8 . . ?
C1H C1I C1J 120.5(17) . . ?
C1J C1I H1I 119.8 . . ?
C1I C1J H1J 120.1 . . ?
C1K C1J C1I 119.8(15) . . ?
C1K C1J H1J 120.1 . . ?
C1J C1K H1K 120.5 . . ?
C1J C1K C1L 118.9(15) . . ?
C1L C1K H1K 120.5 . . ?
C1G C1L C1K 120.4(14) . . ?
C1G C1L N14 107.9(13) . . ?
C1K C1L N14 130.7(16) . . ?
N4 Zn2 N5 88.32(14) . . ?
N4 Zn2 N5 88.32(14) . 6_556 ?
N4 Zn2 N6 164.9(4) . . ?
N5 Zn2 N5 165.9(4) . 6_556 ?
N5 Zn2 N6 89.84(15) . . ?
N5 Zn2 N6 89.84(15) 6_556 . ?
C1 O2 Zn3 118.0(5) . 3_545 ?
N1 N2 N3 112(2) . . ?
C3 C2 C1 118.2(7) . . ?
C7 C2 C1 123.6(7) . . ?
C7 C2 C3 118.1(8) . . ?
O2 Zn3 Zn1 88.18(14) 3 3 ?
O2 Zn3 N3 101.2(3) 3 2_665 ?
O2 Zn3 O4 159.2(2) 3 . ?
O2 Zn3 O6 91.4(3) 3 . ?
O2 Zn3 N15 96.7(3) 3 2_665 ?
N3 Zn3 Zn1 161.3(3) 2_665 3 ?
N3 Zn3 O4 99.5(4) 2_665 . ?
N3 Zn3 O6 89.1(4) 2_665 . ?
O4 Zn3 Zn1 71.60(19) . 3 ?
O6 Zn3 Zn1 74.5(2) . 3 ?
O6 Zn3 O4 87.8(3) . . ?
O6 Zn3 N15 125.4(4) . 2_665 ?
O8 Zn3 Zn1 79.4(3) 3 3 ?
O8 Zn3 O2 83.7(3) 3 3 ?
O8 Zn3 N3 117.3(4) 3 2_665 ?
O8 Zn3 O4 87.8(3) 3 . ?
O8 Zn3 O6 153.6(3) 3 . ?
O8 Zn3 N15 81.0(4) 3 2_665 ?
N15 Zn3 Zn1 159.1(3) 2_665 3 ?
N15 Zn3 O4 100.6(4) 2_665 . ?
C18 O3 Zn1 127.7(6) . 3 ?
N2 N3 Zn3 119.7(15) . 2_665 ?
N2 N3 C54 115.0(16) . . ?
C54 N3 Zn3 125.3(10) . 2_665 ?
C2 C3 H3 119.2 . . ?
C4 C3 C2 121.7(9) . . ?
C4 C3 H3 119.2 . . ?
N7 Zn4 N8 89.8(3) . . ?
N7 Zn4 N8 89.8(3) . 6 ?
N7 Zn4 N9 177.1(8) . . ?
N8 Zn4 N8 179.5(5) 6 . ?
N8 Zn4 N9 90.2(3) . . ?
N8 Zn4 N9 90.2(3) 6 . ?
C18 O4 Zn3 137.3(7) . . ?
C21 N4 Zn2 125.8(4) . . ?
C21 N4 Zn2 125.8(4) 6_556 . ?
C21 N4 C21 108.0(7) . 6_556 ?
C3 C4 H4 120.0 . . ?
C3 C4 C5 120.1(8) . . ?
C5 C4 H4 120.0 . . ?
C25 O5 Zn1 136.8(16) . 3 ?
C9 N5 Zn2 125.6(4) . . ?
C9 N5 C12 108.4(5) . . ?
C12 N5 Zn2 125.5(4) . . ?
C4 C5 C8 116.6(6) . . ?
C6 C5 C4 113.3(8) . . ?
C6 C5 C8 130.1(8) . . ?
C25 O6 Zn3 131.2(8) . . ?
C23 N6 Zn2 125.5(4) 6_556 . ?
C23 N6 Zn2 125.5(4) . . ?
C23 N6 C23 108.1(8) . 6_556 ?
C5 C6 H6 118.0 . . ?
C5 C6 C7 124.0(12) . . ?
C7 C6 H6 118.0 . . ?
C44 O7 Zn1 124.4(10) . . ?
C45 N7 Zn4 129.8(7) . . ?
C45 N7 Zn4 129.8(7) 6 . ?
C45 N7 C45 100.1(13) 6 . ?
C2 C7 C6 122.6(11) . . ?
C2 C7 H7 118.7 . . ?
C6 C7 H7 118.7 . . ?
C44 O8 Zn3 124.2(6) . 3_545 ?
C33 N8 Zn4 127.9(8) . . ?
C36 N8 Zn4 125.2(9) . . ?
C36 N8 C33 106.8(11) . . ?
C9 C8 C5 118.5(6) . . ?
C9 C8 C21 124.5(6) . . ?
C21 C8 C5 116.4(6) . . ?
C47 N9 Zn4 125.6(7) 6 . ?
C47 N9 Zn4 125.6(7) . . ?
C47 N9 C47 107.3(14) 6 . ?
N14 N9A N15 113(2) . . ?
N5 C9 C8 128.4(7) . . ?
N5 C9 C10 109.0(6) . . ?
C8 C9 C10 122.6(6) . . ?
C9 C10 H10 127.0 . . ?
C11 C10 C9 106.1(6) . . ?
C11 C10 H10 127.0 . . ?
C10 C11 H11 126.3 . . ?
C10 C11 C12 107.4(7) . . ?
C12 C11 H11 126.3 . . ?
N5 C12 C13 124.0(6) . . ?
C11 C12 N5 109.1(6) . . ?
C11 C12 C13 126.9(7) . . ?
C12 C13 C14 114.2(8) . . ?
C23 C13 C12 127.2(7) . . ?
C23 C13 C14 118.7(7) . . ?
C1L N14 Zn1 133.5(11) . . ?
N9A N14 Zn1 121.6(17) . . ?
N9A N14 C1L 104.3(17) . . ?
C15 C14 C13 123.7(8) . . ?
C20 C14 C13 118.9(8) . . ?
C20 C14 C15 117.2(8) . . ?
C1G N15 Zn3 120.8(11) . 2_665 ?
N9A N15 C1G 115.8(17) . . ?
N9A N15 Zn3 123.0(15) . 2_665 ?
C14 C15 H15 118.3 . . ?
C16 C15 C14 123.4(9) . . ?
C16 C15 H15 118.3 . . ?
C15 C16 H16 118.1 . . ?
C15 C16 C17 123.8(9) . . ?
C17 C16 H16 118.1 . . ?
C16 C17 C18 125.7(8) . . ?
C16 C17 C19 113.1(8) . . ?
C19 C17 C18 121.1(8) . . ?
O3 C18 C17 122.7(9) . . ?
O4 C18 O3 121.7(10) . . ?
O4 C18 C17 114.8(10) . . ?
C17 C19 H19 118.4 . . ?
C17 C19 C20 123.2(8) . . ?
C20 C19 H19 118.4 . . ?
C14 C20 C19 119.1(8) . . ?
C14 C20 H20 120.5 . . ?
C19 C20 H20 120.5 . . ?
N4 C21 C8 125.5(6) . . ?
N4 C21 C22 110.0(6) . . ?
C8 C21 C22 124.2(6) . . ?
C21 C22 H22 127.0 . . ?
C22 C22 C21 105.9(4) 6_556 . ?
C22 C22 H22 127.0 6_556 . ?
N6 C23 C13 126.3(6) . . ?
N6 C23 C24 108.9(6) . . ?
C13 C23 C24 124.7(6) . . ?
C23 C24 H24 126.5 . . ?
C24 C24 C23 107.0(4) 6_556 . ?
C24 C24 H24 126.5 6_556 . ?
O5 C25 O6 119.1(14) . . ?
O5 C25 C26 133.2(19) . . ?
O6 C25 C26 107.1(14) . . ?
C30 C29 C28 120.0 . . ?
C30 C29 C32 119.1(9) . . ?
C28 C29 C32 120.9(9) . . ?
C29 C30 H30 120.0 . . ?
C31 C30 C29 120.0 . . ?
C31 C30 H30 120.0 . . ?
C30 C31 H31 120.0 . . ?
C30 C31 C26 120.0 . . ?
C26 C31 H31 120.0 . . ?
C31 C26 C25 131.0(10) . . ?
C31 C26 C27 120.0 . . ?
C27 C26 C25 109.0(10) . . ?
C26 C27 H27 120.0 . . ?
C28 C27 C26 120.0 . . ?
C28 C27 H27 120.0 . . ?
C29 C28 H28 120.0 . . ?
C27 C28 C29 120.0 . . ?
C27 C28 H28 120.0 . . ?
C33 C32 C29 114.5(12) . . ?
C47 C32 C29 113.9(11) . . ?
C47 C32 C33 130.9(13) . . ?
N8 C33 C32 120.6(11) . . ?
N8 C33 C34 110.9(9) . . ?
C34 C33 C32 128.1(11) . . ?
C33 C34 H34 125.1 . . ?
C35 C34 C33 109.8(11) . . ?
C35 C34 H34 125.1 . . ?
C34 C35 H35 129.0 . . ?
C34 C35 C36 102.0(11) . . ?
C36 C35 H35 129.0 . . ?
N8 C36 C35 110.0(11) . . ?
N8 C36 C37 131.6(13) . . ?
C37 C36 C35 118.3(12) . . ?
C36 C37 C38 121.8(10) . . ?
C36 C37 C45 121.4(11) . . ?
C45 C37 C38 116.7(10) . . ?
C39 C38 C37 121.4(9) . . ?
C39 C38 C43 120.0 . . ?
C43 C38 C37 118.6(9) . . ?
C38 C39 H39 120.0 . . ?
C40 C39 C38 120.0 . . ?
C40 C39 H39 120.0 . . ?
C39 C40 H40 120.0 . . ?
C39 C40 C41 120.0 . . ?
C41 C40 H40 120.0 . . ?
C40 C41 C42 120.0 . . ?
C40 C41 C44 109.6(10) . . ?
C42 C41 C44 130.4(10) . . ?
C41 C42 H42 120.0 . . ?
C43 C42 C41 120.0 . . ?
C43 C42 H42 120.0 . . ?
C38 C43 H43 120.0 . . ?
C42 C43 C38 120.0 . . ?
C42 C43 H43 120.0 . . ?
O7 C44 O8 125.0(9) . . ?
O7 C44 C41 128.5(13) . . ?
O8 C44 C41 106.0(11) . . ?
N7 C45 C37 122.1(11) . . ?
N7 C45 C46 114.9(12) . . ?
C37 C45 C46 123.0(12) . . ?
C45 C46 H46 127.5 . . ?
C46 C46 C45 104.9(8) 6 . ?
C46 C46 H46 127.5 6 . ?
N9 C47 C32 122.3(12) . . ?
N9 C47 C48 108.0(11) . . ?
C32 C47 C48 125.9(11) . . ?
C47 C48 C48 107.1(7) . 6 ?
C47 C48 H48 126.5 . . ?
C48 C48 H48 126.5 6 . ?
C50 C49 N1 129.0(14) . . ?
C54 C49 N1 110.3(12) . . ?
C54 C49 C50 120.4(13) . . ?
C49 C50 H50 120.6 . . ?
C51 C50 C49 118.8(14) . . ?
C51 C50 H50 120.6 . . ?
C50 C51 H51 119.6 . . ?
C50 C51 C52 120.9(16) . . ?
C52 C51 H51 119.6 . . ?
C51 C52 H52 119.5 . . ?
C53 C52 C51 121.1(17) . . ?
C53 C52 H52 119.5 . . ?
C52 C53 H53 121.1 . . ?
C52 C53 C54 117.7(16) . . ?
C54 C53 H53 121.1 . . ?
C49 C54 N3 100.1(12) . . ?
C49 C54 C53 120.8(13) . . ?
C53 C54 N3 139.1(15) . . ?

_olex2_submission_special_instructions 'No special instructions were received'



loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.029 -0.046 -0.008 11339 3118 ' '
_platon_squeeze_details          ?
