# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_mm
_database_code_depnum_ccdc_archive 'CCDC 1043187'
_audit_update_record             
;
2015-12-14 deposited with the CCDC.
2015-12-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C186 H102 N8 O71 S3 Zn20'
_chemical_formula_weight         4988.74

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Trigonal
_symmetry_space_group_name_H-M   R-3
_symmetry_space_group_name_Hall  -R3

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'

_cell_length_a                   25.2990(12)
_cell_length_b                   25.2990(12)
_cell_length_c                   166.828(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_volume                     92471(10)
_cell_formula_units_Z            6
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    3000
_cell_measurement_theta_min      0.73
_cell_measurement_theta_max      25

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.21
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    0.538
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             14940.0
_exptl_absorpt_coefficient_mu    0.801
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.763
_exptl_absorpt_correction_T_max  0.845
_exptl_absorpt_process_details   'SADABS(Sheldrick, 1996)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            172788
_diffrn_reflns_av_R_equivalents  0.1223
_diffrn_reflns_av_sigmaI/netI    0.1506
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_l_min       -198
_diffrn_reflns_limit_l_max       197
_diffrn_reflns_theta_min         0.73
_diffrn_reflns_theta_max         25.00
_reflns_number_total             36207
_reflns_number_gt                13829
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'SMART (Bruker, 1997)'
_computing_cell_refinement       'SMART (Bruker, 1997)'
_computing_data_reduction        SAINT
_computing_structure_solution    'SHELXS-97(Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'SHELXTL-PLUS (Sheldrick, 1990)'
_computing_publication_material  SHELXL-97

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0804P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         36207
_refine_ls_number_parameters     842
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1591
_refine_ls_R_factor_gt           0.0726
_refine_ls_wR_factor_ref         0.2151
_refine_ls_wR_factor_gt          0.1917
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_restrained_S_all      1.029
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.65912(3) 0.99951(3) 0.411590(4) 0.04302(19) Uani 1 1 d . A .
Zn2 Zn 0.68825(3) 0.93074(3) 0.425107(4) 0.0526(2) Uani 1 1 d . A .
Zn3 Zn 0.75766(3) 1.07301(3) 0.425182(5) 0.0567(2) Uani 1 1 d . . .
Zn4 Zn 0.78537(3) 1.00073(3) 0.411433(5) 0.0589(2) Uani 1 1 d . . .
Zn5 Zn 1.0000 1.0000 0.318530(8) 0.0688(4) Uani 1 3 d S . .
Zn6 Zn 0.6667 1.3333 0.510700(8) 0.0677(4) Uani 1 3 d S . .
Zn7 Zn 0.58766(4) 1.26879(4) 0.495388(5) 0.0808(3) Uani 1 1 d . . .
Zn8 Zn 0.93925(4) 0.91943(4) 0.333934(5) 0.0849(3) Uani 1 1 d . . .
O1 O 0.72291(14) 1.00149(14) 0.418062(19) 0.0324(9) Uani 1 1 d . A .
O7 O 0.72679(19) 1.12590(17) 0.42074(3) 0.0655(13) Uani 1 1 d . A .
O8 O 0.6057(2) 0.87474(19) 0.42165(3) 0.0821(15) Uani 1 1 d . . .
O5 O 0.67178(19) 0.9903(2) 0.40016(2) 0.0691(13) Uani 1 1 d . A .
O9 O 0.57831(18) 0.9256(2) 0.41354(3) 0.0723(14) Uani 1 1 d . . .
O2 O 0.6791(2) 0.9444(2) 0.43631(2) 0.0753(14) Uani 1 1 d . . .
O6 O 0.65238(18) 1.07375(19) 0.41201(3) 0.0609(12) Uani 1 1 d . . .
O11 O 0.7277(2) 0.8836(2) 0.42453(3) 0.0948(17) Uani 1 1 d . . .
O10 O 0.7954(2) 0.9297(2) 0.41435(4) 0.0879(17) Uani 1 1 d . A .
O4 O 0.7578(2) 0.9852(3) 0.40032(3) 0.105(2) Uani 1 1 d . A .
C44 C 0.6812(2) 1.1752(2) 0.41483(4) 0.0471(16) Uani 1 1 d . . .
O3 O 0.7044(3) 1.0416(3) 0.43482(3) 0.108(2) Uani 1 1 d . A .
C43 C 0.6868(3) 1.1209(3) 0.41570(4) 0.0492(17) Uani 1 1 d . A .
O15 O 0.6667 1.3333 0.49922(4) 0.0580(19) Uani 1 3 d S . .
O14 O 1.0000 1.0000 0.33009(4) 0.059(2) Uani 1 3 d S . .
O16 O 0.4106(2) 0.7312(2) 0.35254(3) 0.0836(15) Uani 1 1 d . . .
O20 O 0.4006(2) 0.7403(2) 0.48458(3) 0.0893(16) Uani 1 1 d . . .
O18 O 0.4420(2) 0.7892(3) 0.34203(3) 0.123(2) Uani 1 1 d . . .
O22 O 0.4589(3) 0.7806(3) 0.49553(4) 0.133(2) Uani 1 1 d . . .
O23 O 0.5978(3) 1.2105(3) 0.48906(4) 0.122(2) Uani 1 1 d . . .
C50 C 0.5673(3) 0.8795(3) 0.41714(5) 0.065(2) Uani 1 1 d . A .
C51 C 0.5059(3) 0.8244(3) 0.41644(4) 0.0587(18) Uani 1 1 d . . .
C49 C 0.7195(3) 1.2282(3) 0.41891(4) 0.072(2) Uani 1 1 d . A .
H49 H 0.7481 1.2292 0.4225 0.087 Uiso 1 1 calc R . .
O21 O 0.7001(3) 1.2484(3) 0.48883(5) 0.150(3) Uani 1 1 d . . .
C22 C 0.7110(3) 0.9819(3) 0.39693(4) 0.070(2) Uani 1 1 d . . .
S1 S 0.85243(9) 0.85249(9) 0.415156(17) 0.1054(8) Uani 1 1 d . A .
N3 N 0.6667 1.3333 0.41183(6) 0.057(3) Uani 1 3 d S . .
N4 N 0.3333 0.6667 0.41448(7) 0.088(4) Uani 1 3 d S . .
C47 C 0.6728(2) 1.2814(3) 0.41270(4) 0.0493(17) Uani 1 1 d . A .
C54 C 0.3924(2) 0.7195(3) 0.41509(4) 0.0584(19) Uani 1 1 d . A .
C2 C 0.6658(3) 0.9958(3) 0.44715(4) 0.071(2) Uani 1 1 d . . .
N2 N 0.6780(3) 0.9214(4) 0.36365(3) 0.121(3) Uani 1 1 d . A .
C45 C 0.6402(3) 1.1775(3) 0.40967(4) 0.068(2) Uani 1 1 d . A .
H45 H 0.6148 1.1426 0.4067 0.082 Uiso 1 1 calc R . .
C53 C 0.4362(3) 0.7203(2) 0.41961(5) 0.080(3) Uani 1 1 d . . .
H53 H 0.4285 0.6852 0.4224 0.097 Uiso 1 1 calc R A .
C48 C 0.7150(3) 1.2808(3) 0.41760(5) 0.080(2) Uani 1 1 d . . .
H48 H 0.7422 1.3166 0.4202 0.096 Uiso 1 1 calc R A .
C52 C 0.4933(3) 0.7724(3) 0.42028(5) 0.083(2) Uani 1 1 d . A .
H52 H 0.5232 0.7715 0.4234 0.100 Uiso 1 1 calc R . .
N1 N 0.6039(3) 0.9951(3) 0.47060(4) 0.109(3) Uani 1 1 d . . .
C5 C 0.6249(4) 0.9940(3) 0.46286(4) 0.089(3) Uani 1 1 d . A .
C46 C 0.6345(3) 1.2289(3) 0.40859(4) 0.072(2) Uani 1 1 d . . .
H46 H 0.6050 1.2277 0.4051 0.086 Uiso 1 1 calc R A .
C56 C 0.4616(3) 0.8240(3) 0.41174(5) 0.084(3) Uani 1 1 d . A .
H56 H 0.4692 0.8588 0.4089 0.100 Uiso 1 1 calc R . .
C28 C 0.6551(3) 0.9638(4) 0.38409(5) 0.093(3) Uani 1 1 d . . .
H28 H 0.6280 0.9723 0.3868 0.111 Uiso 1 1 calc R A .
C55 C 0.4058(3) 0.7719(3) 0.41123(5) 0.086(3) Uani 1 1 d . . .
H55 H 0.3757 0.7724 0.4081 0.103 Uiso 1 1 calc R A .
C14 C 0.4454(4) 0.7812(4) 0.48797(6) 0.089(3) Uani 1 1 d . . .
C7 C 0.6508(4) 0.9472(3) 0.45245(5) 0.095(3) Uani 1 1 d . A .
H7 H 0.6529 0.9134 0.4507 0.114 Uiso 1 1 calc R . .
C23 C 0.7040(3) 0.9672(4) 0.38830(4) 0.080(2) Uani 1 1 d . A .
C18 C 0.6372(5) 1.1566(4) 0.48236(5) 0.106(3) Uani 1 1 d . . .
C15 C 0.6136(5) 1.0496(4) 0.47434(5) 0.114(4) Uani 1 1 d . . .
C1 C 0.6838(3) 0.9923(4) 0.43884(4) 0.071(2) Uani 1 1 d . A .
C27 C 0.6452(3) 0.9486(4) 0.37617(5) 0.092(3) Uani 1 1 d . A .
H27 H 0.6110 0.9445 0.3735 0.111 Uiso 1 1 calc R . .
C32 C 0.5070(4) 0.8145(4) 0.35312(5) 0.085(3) Uani 1 1 d . A .
C6 C 0.6330(4) 0.9483(3) 0.46029(4) 0.104(3) Uani 1 1 d . . .
H6 H 0.6267 0.9170 0.4638 0.125 Uiso 1 1 calc R A .
C11 C 0.4875(4) 0.8348(4) 0.48349(5) 0.088(2) Uani 1 1 d . . .
C12 C 0.4774(4) 0.8387(4) 0.47533(5) 0.106(3) Uani 1 1 d . . .
H12 H 0.4453 0.8058 0.4727 0.127 Uiso 1 1 calc R . .
C36 C 0.7304(4) 0.9354(5) 0.35881(5) 0.103(3) Uani 1 1 d . . .
C26 C 0.6891(4) 0.9394(4) 0.37217(5) 0.114(3) Uani 1 1 d . . .
C35 C 0.4516(4) 0.7759(5) 0.34897(5) 0.092(3) Uani 1 1 d . . .
C57 C 0.7712(4) 0.8916(4) 0.41974(6) 0.080(3) Uani 1 1 d . A .
C42 C 0.8772(4) 0.9725(7) 0.34337(6) 0.123(4) Uani 1 1 d . . .
C8 C 0.5667(5) 0.9402(4) 0.47474(5) 0.116(3) Uani 1 1 d . . .
C33 C 0.5186(4) 0.8031(4) 0.36069(5) 0.098(3) Uani 1 1 d . . .
H33 H 0.4875 0.7707 0.3635 0.118 Uiso 1 1 calc R . .
C4 C 0.6397(4) 1.0443(4) 0.45762(5) 0.122(4) Uani 1 1 d . . .
H4 H 0.6367 1.0775 0.4594 0.147 Uiso 1 1 calc R A .
C3 C 0.6583(4) 1.0429(4) 0.44999(5) 0.113(3) Uani 1 1 d . A .
H3 H 0.6662 1.0750 0.4466 0.135 Uiso 1 1 calc R . .
C20 C 0.5677(4) 1.0540(4) 0.47747(5) 0.116(3) Uani 1 1 d . . .
H20 H 0.5281 1.0214 0.4770 0.139 Uiso 1 1 calc R . .
C19 C 0.5776(5) 1.1072(5) 0.48157(5) 0.130(4) Uani 1 1 d . . .
H19 H 0.5449 1.1093 0.4837 0.156 Uiso 1 1 calc R . .
C37 C 0.7801(4) 0.9937(5) 0.35793(6) 0.163(5) Uani 1 1 d . . .
H37 H 0.7822 1.0258 0.3609 0.196 Uiso 1 1 calc R . .
C16 C 0.6707(5) 1.0981(4) 0.47493(6) 0.153(5) Uani 1 1 d . . .
H16 H 0.7036 1.0967 0.4727 0.183 Uiso 1 1 calc R . .
C40 C 0.7793(5) 0.8998(6) 0.34988(5) 0.129(4) Uani 1 1 d . . .
H40 H 0.7797 0.8681 0.3471 0.155 Uiso 1 1 calc R . .
C34 C 0.5729(4) 0.8366(4) 0.36428(5) 0.112(3) Uani 1 1 d . A .
H34 H 0.5790 0.8265 0.3694 0.134 Uiso 1 1 calc R . .
C41 C 0.7308(4) 0.8867(5) 0.35493(6) 0.141(4) Uani 1 1 d . . .
H41 H 0.6994 0.8468 0.3557 0.169 Uiso 1 1 calc R . .
C29 C 0.6178(4) 0.8839(5) 0.36055(5) 0.097(3) Uani 1 1 d . . .
C21 C 0.6478(7) 1.2082(5) 0.48680(6) 0.139(5) Uani 1 1 d . . .
C24 C 0.7452(3) 0.9573(4) 0.38414(5) 0.117(3) Uani 1 1 d . . .
H24 H 0.7773 0.9579 0.3869 0.140 Uiso 1 1 calc R A .
C31 C 0.5518(5) 0.8629(5) 0.34929(5) 0.128(4) Uani 1 1 d . . .
H31 H 0.5442 0.8724 0.3442 0.154 Uiso 1 1 calc R A .
C38 C 0.8251(4) 1.0039(5) 0.35287(6) 0.157(5) Uani 1 1 d . . .
H38 H 0.8566 1.0437 0.3520 0.189 Uiso 1 1 calc R . .
C9 C 0.5787(4) 0.9352(4) 0.48262(6) 0.140(4) Uani 1 1 d . . .
H9 H 0.6121 0.9676 0.4851 0.168 Uiso 1 1 calc R . .
O2W O 0.8053(5) 1.1532(4) 0.43472(6) 0.286(6) Uani 1 1 d . A .
C25 C 0.7408(4) 0.9469(5) 0.37619(5) 0.134(4) Uani 1 1 d . A .
H25 H 0.7715 0.9447 0.3734 0.161 Uiso 1 1 calc R . .
C30 C 0.6094(4) 0.8996(5) 0.35272(5) 0.133(4) Uani 1 1 d . A .
H30 H 0.6405 0.9325 0.3500 0.159 Uiso 1 1 calc R . .
C17 C 0.6797(5) 1.1498(4) 0.47891(6) 0.142(4) Uani 1 1 d . . .
H17 H 0.7194 1.1826 0.4792 0.171 Uiso 1 1 calc R . .
C62 C 0.8748(3) 1.1030(5) 0.41784(8) 0.161(5) Uani 1 1 d . . .
C13 C 0.5147(5) 0.8908(4) 0.47117(5) 0.114(3) Uani 1 1 d . . .
H13 H 0.5057 0.8938 0.4658 0.136 Uiso 1 1 calc R . .
C10 C 0.5396(5) 0.8797(4) 0.48714(6) 0.133(4) Uani 1 1 d . . .
H10 H 0.5495 0.8748 0.4923 0.160 Uiso 1 1 calc R . .
O1W O 0.8134(4) 1.0308(4) 0.43144(5) 0.215(4) Uiso 1 1 d . A .
O13 O 0.8403(5) 1.1153(5) 0.42459(8) 0.100(3) Uiso 0.50 1 d P A 1
C60 C 0.7934(7) 0.7591(7) 0.42295(9) 0.076(4) Uiso 0.50 1 d P A 1
H60 H 0.7787 0.7193 0.4247 0.091 Uiso 0.50 1 calc PR A 1
C59 C 0.7611(7) 0.7906(7) 0.42403(10) 0.076(5) Uiso 0.50 1 d P A 1
H59 H 0.7243 0.7756 0.4267 0.091 Uiso 0.50 1 calc PR A 1
O13' O 0.8389(4) 1.1247(4) 0.41846(6) 0.077(3) Uiso 0.50 1 d P A 2
C59' C 0.7759(8) 0.8065(8) 0.42864(12) 0.104(6) Uiso 0.50 1 d P A 2
H59' H 0.7493 0.8032 0.4327 0.125 Uiso 0.50 1 calc PR A 2
C60' C 0.8158(7) 0.7755(8) 0.42801(11) 0.101(6) Uiso 0.50 1 d P A 2
H60' H 0.8208 0.7524 0.4320 0.121 Uiso 0.50 1 calc PR A 2
C58 C 0.7919(4) 0.8456(4) 0.42051(5) 0.099(3) Uiso 1 1 d . . .
C61 C 0.8471(4) 0.7909(4) 0.41914(6) 0.118(3) Uiso 1 1 d . . .
O17 O 0.8809(3) 0.9262(4) 0.34090(4) 0.138(3) Uani 1 1 d . . .
O19 O 0.9143(3) 1.0277(5) 0.34127(5) 0.204(5) Uani 1 1 d . . .
C39 C 0.8263(5) 0.9576(6) 0.34889(5) 0.117(3) Uani 1 1 d . . .
O12 O 0.8679(3) 1.0660(3) 0.41285(4) 0.124(2) Uiso 1 1 d . A .


_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 1.921(3) . ?
Zn1 O5 1.967(4) . ?
Zn1 O6 1.970(4) . ?
Zn1 O9 1.990(4) . ?
Zn1 Zn2 3.1524(10) . ?
Zn2 O11 1.904(4) . ?
Zn2 O8 1.935(5) . ?
Zn2 O2 1.936(4) . ?
Zn2 O1 1.945(3) . ?
Zn2 Zn3 3.1175(10) . ?
Zn3 O13 1.813(11) . ?
Zn3 O1 1.966(3) . ?
Zn3 O3 1.990(5) . ?
Zn3 O7 1.999(4) . ?
Zn3 O13' 2.123(10) . ?
Zn3 O2W 2.377(10) . ?
Zn3 O1W 2.393(9) . ?
Zn4 O12 1.922(7) . ?
Zn4 O1 1.937(3) . ?
Zn4 O4 1.950(5) . ?
Zn4 O10 1.996(5) . ?
Zn5 O14 1.929(6) . ?
Zn5 O16 1.958(5) 18_655 ?
Zn5 O16 1.959(5) 16_665 ?
Zn5 O16 1.959(5) 17 ?
Zn6 O15 1.916(6) . ?
Zn6 O20 1.954(5) 11_566 ?
Zn6 O20 1.954(5) 10_676 ?
Zn6 O20 1.954(5) 12_666 ?
Zn6 Zn7 3.1500(14) . ?
Zn6 Zn7 3.1500(14) 2_775 ?
Zn6 Zn7 3.1500(14) 3_575 ?
Zn7 O21 1.895(6) 3_575 ?
Zn7 O23 1.933(6) . ?
Zn7 O22 1.942(6) 10_676 ?
Zn7 O15 1.951(2) . ?
Zn8 O19 1.893(7) 2_765 ?
Zn8 O18 1.929(5) 16_665 ?
Zn8 O14 1.948(2) . ?
Zn8 O17 1.952(6) . ?
O7 C43 1.271(7) . ?
O8 C50 1.280(7) . ?
O5 C22 1.237(7) . ?
O9 C50 1.215(7) . ?
O2 C1 1.229(7) . ?
O6 C43 1.234(7) . ?
O11 C57 1.291(8) . ?
O10 C57 1.234(8) . ?
O4 C22 1.277(7) . ?
C44 C45 1.370(8) . ?
C44 C49 1.379(8) . ?
C44 C43 1.458(7) . ?
O3 C1 1.276(8) . ?
O15 Zn7 1.951(2) 2_775 ?
O15 Zn7 1.951(2) 3_575 ?
O14 Zn8 1.948(2) 2_765 ?
O14 Zn8 1.948(2) 3_675 ?
O16 C35 1.239(8) . ?
O16 Zn5 1.959(5) 16_665 ?
O20 C14 1.226(9) . ?
O20 Zn6 1.954(5) 10_676 ?
O18 C35 1.262(9) . ?
O18 Zn8 1.929(5) 16_665 ?
O22 C14 1.308(9) . ?
O22 Zn7 1.942(6) 10_676 ?
O23 C21 1.348(13) . ?
C50 C51 1.484(8) . ?
C51 C52 1.349(8) . ?
C51 C56 1.363(8) . ?
C49 C48 1.407(8) . ?
C49 H49 0.9300 . ?
O21 C21 1.245(14) . ?
O21 Zn7 1.895(6) 2_775 ?
C22 C23 1.476(9) . ?
S1 C61 1.637(9) . ?
S1 C58 1.704(8) . ?
N3 C47 1.406(6) . ?
N3 C47 1.406(6) 2_775 ?
N3 C47 1.406(6) 3_575 ?
N4 C54 1.426(6) 2_665 ?
N4 C54 1.426(6) . ?
N4 C54 1.426(6) 3_565 ?
C47 C48 1.352(8) . ?
C47 C46 1.372(8) . ?
C54 C53 1.333(8) . ?
C54 C55 1.353(8) . ?
C2 C3 1.381(9) . ?
C2 C7 1.404(9) . ?
C2 C1 1.476(9) . ?
N2 C29 1.428(9) . ?
N2 C36 1.436(9) . ?
N2 C26 1.477(9) . ?
C45 C46 1.391(7) . ?
C45 H45 0.9300 . ?
C53 C52 1.390(8) . ?
C53 H53 0.9300 . ?
C48 H48 0.9300 . ?
C52 H52 0.9300 . ?
N1 C5 1.402(8) . ?
N1 C8 1.410(10) . ?
N1 C15 1.419(9) . ?
C5 C6 1.342(9) . ?
C5 C4 1.430(10) . ?
C46 H46 0.9300 . ?
C56 C55 1.371(8) . ?
C56 H56 0.9300 . ?
C28 C27 1.364(9) . ?
C28 C23 1.385(9) . ?
C28 H28 0.9300 . ?
C55 H55 0.9300 . ?
C14 C11 1.445(10) . ?
C7 C6 1.388(9) . ?
C7 H7 0.9300 . ?
C23 C24 1.374(9) . ?
C18 C17 1.305(11) . ?
C18 C19 1.402(11) . ?
C18 C21 1.406(11) . ?
C15 C20 1.329(11) . ?
C15 C16 1.354(11) . ?
C27 C26 1.412(10) . ?
C27 H27 0.9300 . ?
C32 C31 1.343(10) . ?
C32 C33 1.360(10) . ?
C32 C35 1.425(10) . ?
C6 H6 0.9300 . ?
C11 C10 1.379(11) . ?
C11 C12 1.397(10) . ?
C12 C13 1.365(10) . ?
C12 H12 0.9300 . ?
C36 C37 1.387(11) . ?
C36 C41 1.398(12) . ?
C26 C25 1.395(11) . ?
C57 C58 1.501(10) . ?
C42 O19 1.282(13) . ?
C42 O17 1.288(12) . ?
C42 C39 1.470(12) . ?
C8 C9 1.369(12) . ?
C8 C13 1.415(12) . ?
C33 C34 1.342(10) . ?
C33 H33 0.9300 . ?
C4 C3 1.363(9) . ?
C4 H4 0.9300 . ?
C3 H3 0.9300 . ?
C20 C19 1.414(11) . ?
C20 H20 0.9300 . ?
C19 H19 0.9300 . ?
C37 C38 1.335(11) . ?
C37 H37 0.9300 . ?
C16 C17 1.381(11) . ?
C16 H16 0.9300 . ?
C40 C39 1.358(12) . ?
C40 C41 1.386(11) . ?
C40 H40 0.9300 . ?
C34 C29 1.323(10) . ?
C34 H34 0.9300 . ?
C41 H41 0.9300 . ?
C29 C30 1.413(11) . ?
C24 C25 1.346(9) . ?
C24 H24 0.9300 . ?
C31 C30 1.400(11) . ?
C31 H31 0.9300 . ?
C38 C39 1.358(12) . ?
C38 H38 0.9300 . ?
C9 C10 1.460(11) . ?
C9 H9 0.9300 . ?
C25 H25 0.9300 . ?
C30 H30 0.9300 . ?
C17 H17 0.9300 . ?
C62 O12 1.197(11) . ?
C62 O13' 1.278(11) . ?
C62 O13 1.551(15) . ?
C62 C61 1.575(12) 3_675 ?
C13 H13 0.9300 . ?
C10 H10 0.9300 . ?
C60 C61 1.343(15) . ?
C60 C59 1.409(18) . ?
C60 H60 0.9300 . ?
C59 C58 1.343(15) . ?
C59 H59 0.9300 . ?
C59' C60' 1.56(2) . ?
C59' C58 1.606(19) . ?
C59' H59' 0.9300 . ?
C60' C61 1.630(19) . ?
C60' H60' 0.9300 . ?
C61 C62 1.575(11) 2_765 ?
O19 Zn8 1.893(7) 3_675 ?

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 O5 111.32(16) . . ?
O1 Zn1 O6 115.30(16) . . ?
O5 Zn1 O6 104.11(19) . . ?
O1 Zn1 O9 112.83(17) . . ?
O5 Zn1 O9 101.45(19) . . ?
O6 Zn1 O9 110.60(18) . . ?
O1 Zn1 Zn2 35.64(10) . . ?
O5 Zn1 Zn2 122.10(13) . . ?
O6 Zn1 Zn2 131.03(13) . . ?
O9 Zn1 Zn2 77.21(14) . . ?
O11 Zn2 O8 103.8(2) . . ?
O11 Zn2 O2 108.0(2) . . ?
O8 Zn2 O2 103.7(2) . . ?
O11 Zn2 O1 114.20(18) . . ?
O8 Zn2 O1 108.56(17) . . ?
O2 Zn2 O1 117.24(17) . . ?
O11 Zn2 Zn3 123.69(16) . . ?
O8 Zn2 Zn3 128.69(14) . . ?
O2 Zn2 Zn3 80.68(14) . . ?
O1 Zn2 Zn3 37.40(9) . . ?
O11 Zn2 Zn1 130.60(17) . . ?
O8 Zn2 Zn1 74.09(14) . . ?
O2 Zn2 Zn1 120.64(14) . . ?
O1 Zn2 Zn1 35.14(9) . . ?
Zn3 Zn2 Zn1 61.17(2) . . ?
O13 Zn3 O1 111.3(4) . . ?
O13 Zn3 O3 129.1(4) . . ?
O1 Zn3 O3 102.6(2) . . ?
O13 Zn3 O7 107.8(4) . . ?
O1 Zn3 O7 104.31(16) . . ?
O3 Zn3 O7 98.9(2) . . ?
O13 Zn3 O13' 29.7(4) . . ?
O1 Zn3 O13' 95.6(3) . . ?
O3 Zn3 O13' 157.9(3) . . ?
O7 Zn3 O13' 88.5(3) . . ?
O13 Zn3 O2W 65.8(5) . . ?
O1 Zn3 O2W 172.6(3) . . ?
O3 Zn3 O2W 75.7(3) . . ?
O7 Zn3 O2W 83.0(3) . . ?
O13' Zn3 O2W 84.6(4) . . ?
O13 Zn3 O1W 61.6(4) . . ?
O1 Zn3 O1W 86.8(2) . . ?
O3 Zn3 O1W 84.4(3) . . ?
O7 Zn3 O1W 167.3(3) . . ?
O13' Zn3 O1W 84.2(3) . . ?
O2W Zn3 O1W 85.9(3) . . ?
O13 Zn3 Zn2 119.9(3) . . ?
O1 Zn3 Zn2 36.93(9) . . ?
O3 Zn3 Zn2 70.35(16) . . ?
O7 Zn3 Zn2 126.04(12) . . ?
O13' Zn3 Zn2 121.4(3) . . ?
O2W Zn3 Zn2 137.7(2) . . ?
O1W Zn3 Zn2 66.7(2) . . ?
O12 Zn4 O1 117.5(2) . . ?
O12 Zn4 O4 114.6(3) . . ?
O1 Zn4 O4 109.49(17) . . ?
O12 Zn4 O10 99.9(2) . . ?
O1 Zn4 O10 109.94(19) . . ?
O4 Zn4 O10 104.1(2) . . ?
O14 Zn5 O16 112.05(16) . 18_655 ?
O14 Zn5 O16 112.05(16) . 16_665 ?
O16 Zn5 O16 106.78(17) 18_655 16_665 ?
O14 Zn5 O16 112.05(16) . 17 ?
O16 Zn5 O16 106.78(17) 18_655 17 ?
O16 Zn5 O16 106.77(17) 16_665 17 ?
O15 Zn6 O20 113.79(17) . 11_566 ?
O15 Zn6 O20 113.79(17) . 10_676 ?
O20 Zn6 O20 104.8(2) 11_566 10_676 ?
O15 Zn6 O20 113.79(17) . 12_666 ?
O20 Zn6 O20 104.8(2) 11_566 12_666 ?
O20 Zn6 O20 104.8(2) 10_676 12_666 ?
O15 Zn6 Zn7 35.81(2) . . ?
O20 Zn6 Zn7 134.58(17) 11_566 . ?
O20 Zn6 Zn7 78.96(17) 10_676 . ?
O20 Zn6 Zn7 118.09(17) 12_666 . ?
O15 Zn6 Zn7 35.81(2) . 2_775 ?
O20 Zn6 Zn7 78.96(17) 11_566 2_775 ?
O20 Zn6 Zn7 118.09(17) 10_676 2_775 ?
O20 Zn6 Zn7 134.58(17) 12_666 2_775 ?
Zn7 Zn6 Zn7 60.90(4) . 2_775 ?
O15 Zn6 Zn7 35.81(2) . 3_575 ?
O20 Zn6 Zn7 118.09(17) 11_566 3_575 ?
O20 Zn6 Zn7 134.58(17) 10_676 3_575 ?
O20 Zn6 Zn7 78.96(17) 12_666 3_575 ?
Zn7 Zn6 Zn7 60.90(4) . 3_575 ?
Zn7 Zn6 Zn7 60.90(4) 2_775 3_575 ?
O21 Zn7 O23 107.4(3) 3_575 . ?
O21 Zn7 O22 116.3(3) 3_575 10_676 ?
O23 Zn7 O22 101.8(3) . 10_676 ?
O21 Zn7 O15 111.9(3) 3_575 . ?
O23 Zn7 O15 110.2(2) . . ?
O22 Zn7 O15 108.7(3) 10_676 . ?
O21 Zn7 Zn6 125.6(2) 3_575 . ?
O23 Zn7 Zn6 123.1(2) . . ?
O22 Zn7 Zn6 74.00(19) 10_676 . ?
O15 Zn7 Zn6 35.07(17) . . ?
O19 Zn8 O18 124.9(4) 2_765 16_665 ?
O19 Zn8 O14 112.4(3) 2_765 . ?
O18 Zn8 O14 105.2(2) 16_665 . ?
O19 Zn8 O17 100.0(3) 2_765 . ?
O18 Zn8 O17 103.4(3) 16_665 . ?
O14 Zn8 O17 109.8(3) . . ?
Zn1 O1 Zn4 110.96(16) . . ?
Zn1 O1 Zn2 109.22(15) . . ?
Zn4 O1 Zn2 109.30(15) . . ?
Zn1 O1 Zn3 110.28(15) . . ?
Zn4 O1 Zn3 111.25(15) . . ?
Zn2 O1 Zn3 105.67(15) . . ?
C43 O7 Zn3 137.4(4) . . ?
C50 O8 Zn2 134.3(4) . . ?
C22 O5 Zn1 129.3(5) . . ?
C50 O9 Zn1 128.2(4) . . ?
C1 O2 Zn2 123.1(5) . . ?
C43 O6 Zn1 125.7(4) . . ?
C57 O11 Zn2 127.3(5) . . ?
C57 O10 Zn4 130.2(5) . . ?
C22 O4 Zn4 131.3(4) . . ?
C45 C44 C49 116.7(5) . . ?
C45 C44 C43 122.3(6) . . ?
C49 C44 C43 121.0(6) . . ?
C1 O3 Zn3 132.8(4) . . ?
O6 C43 O7 124.6(5) . . ?
O6 C43 C44 120.4(6) . . ?
O7 C43 C44 114.9(6) . . ?
Zn6 O15 Zn7 109.11(17) . 2_775 ?
Zn6 O15 Zn7 109.11(17) . . ?
Zn7 O15 Zn7 109.83(17) 2_775 . ?
Zn6 O15 Zn7 109.11(17) . 3_575 ?
Zn7 O15 Zn7 109.83(17) 2_775 3_575 ?
Zn7 O15 Zn7 109.83(17) . 3_575 ?
Zn5 O14 Zn8 109.21(17) . 2_765 ?
Zn5 O14 Zn8 109.21(17) . 3_675 ?
Zn8 O14 Zn8 109.73(17) 2_765 3_675 ?
Zn5 O14 Zn8 109.21(17) . . ?
Zn8 O14 Zn8 109.73(17) 2_765 . ?
Zn8 O14 Zn8 109.73(17) 3_675 . ?
C35 O16 Zn5 127.6(5) . 16_665 ?
C14 O20 Zn6 128.0(6) . 10_676 ?
C35 O18 Zn8 137.9(6) . 16_665 ?
C14 O22 Zn7 133.0(6) . 10_676 ?
C21 O23 Zn7 132.1(7) . . ?
O9 C50 O8 124.1(6) . . ?
O9 C50 C51 119.5(7) . . ?
O8 C50 C51 116.4(6) . . ?
C52 C51 C56 118.1(6) . . ?
C52 C51 C50 120.3(7) . . ?
C56 C51 C50 121.5(6) . . ?
C44 C49 C48 119.5(6) . . ?
C44 C49 H49 120.2 . . ?
C48 C49 H49 120.2 . . ?
C21 O21 Zn7 134.2(7) . 2_775 ?
O5 C22 O4 126.4(6) . . ?
O5 C22 C23 117.4(7) . . ?
O4 C22 C23 116.1(7) . . ?
C61 S1 C58 92.7(5) . . ?
C47 N3 C47 118.96(18) . 2_775 ?
C47 N3 C47 118.96(18) . 3_575 ?
C47 N3 C47 118.96(18) 2_775 3_575 ?
C54 N4 C54 119.49(17) 2_665 . ?
C54 N4 C54 119.49(16) 2_665 3_565 ?
C54 N4 C54 119.49(17) . 3_565 ?
C48 C47 C46 118.1(5) . . ?
C48 C47 N3 122.0(6) . . ?
C46 C47 N3 119.9(6) . . ?
C53 C54 C55 117.0(5) . . ?
C53 C54 N4 121.9(6) . . ?
C55 C54 N4 121.1(6) . . ?
C3 C2 C7 116.5(7) . . ?
C3 C2 C1 123.7(7) . . ?
C7 C2 C1 119.7(7) . . ?
C29 N2 C36 120.4(6) . . ?
C29 N2 C26 121.9(6) . . ?
C36 N2 C26 117.0(7) . . ?
C44 C45 C46 123.7(6) . . ?
C44 C45 H45 118.2 . . ?
C46 C45 H45 118.2 . . ?
C54 C53 C52 121.4(6) . . ?
C54 C53 H53 119.3 . . ?
C52 C53 H53 119.3 . . ?
C47 C48 C49 122.8(6) . . ?
C47 C48 H48 118.6 . . ?
C49 C48 H48 118.6 . . ?
C51 C52 C53 121.0(6) . . ?
C51 C52 H52 119.5 . . ?
C53 C52 H52 119.5 . . ?
C5 N1 C8 120.4(6) . . ?
C5 N1 C15 122.8(6) . . ?
C8 N1 C15 116.6(6) . . ?
C6 C5 N1 122.2(7) . . ?
C6 C5 C4 119.2(6) . . ?
N1 C5 C4 118.6(7) . . ?
C47 C46 C45 119.1(6) . . ?
C47 C46 H46 120.4 . . ?
C45 C46 H46 120.4 . . ?
C51 C56 C55 119.4(6) . . ?
C51 C56 H56 120.3 . . ?
C55 C56 H56 120.3 . . ?
C27 C28 C23 122.7(7) . . ?
C27 C28 H28 118.6 . . ?
C23 C28 H28 118.6 . . ?
C54 C55 C56 123.1(6) . . ?
C54 C55 H55 118.5 . . ?
C56 C55 H55 118.5 . . ?
O20 C14 O22 124.9(8) . . ?
O20 C14 C11 119.3(9) . . ?
O22 C14 C11 115.8(8) . . ?
C6 C7 C2 121.7(7) . . ?
C6 C7 H7 119.2 . . ?
C2 C7 H7 119.2 . . ?
C24 C23 C28 117.8(7) . . ?
C24 C23 C22 122.0(7) . . ?
C28 C23 C22 120.1(7) . . ?
C17 C18 C19 115.5(9) . . ?
C17 C18 C21 124.5(11) . . ?
C19 C18 C21 120.0(11) . . ?
C20 C15 C16 118.5(8) . . ?
C20 C15 N1 121.5(9) . . ?
C16 C15 N1 120.0(9) . . ?
O2 C1 O3 125.0(6) . . ?
O2 C1 C2 120.0(7) . . ?
O3 C1 C2 115.0(6) . . ?
C28 C27 C26 117.1(7) . . ?
C28 C27 H27 121.5 . . ?
C26 C27 H27 121.5 . . ?
C31 C32 C33 117.5(8) . . ?
C31 C32 C35 119.1(8) . . ?
C33 C32 C35 123.3(9) . . ?
C5 C6 C7 120.5(7) . . ?
C5 C6 H6 119.7 . . ?
C7 C6 H6 119.7 . . ?
C10 C11 C12 120.3(8) . . ?
C10 C11 C14 119.8(9) . . ?
C12 C11 C14 119.7(8) . . ?
C13 C12 C11 120.1(8) . . ?
C13 C12 H12 120.0 . . ?
C11 C12 H12 120.0 . . ?
C37 C36 C41 119.0(9) . . ?
C37 C36 N2 123.9(9) . . ?
C41 C36 N2 117.1(9) . . ?
C25 C26 C27 120.8(7) . . ?
C25 C26 N2 121.8(8) . . ?
C27 C26 N2 117.5(8) . . ?
O16 C35 O18 120.0(8) . . ?
O16 C35 C32 118.6(8) . . ?
O18 C35 C32 121.1(9) . . ?
O10 C57 O11 128.6(7) . . ?
O10 C57 C58 116.1(7) . . ?
O11 C57 C58 115.2(8) . . ?
O19 C42 O17 123.8(9) . . ?
O19 C42 C39 121.3(12) . . ?
O17 C42 C39 114.9(12) . . ?
C9 C8 N1 119.4(10) . . ?
C9 C8 C13 118.3(9) . . ?
N1 C8 C13 122.2(9) . . ?
C34 C33 C32 122.8(8) . . ?
C34 C33 H33 118.6 . . ?
C32 C33 H33 118.6 . . ?
C3 C4 C5 119.2(7) . . ?
C3 C4 H4 120.4 . . ?
C5 C4 H4 120.4 . . ?
C4 C3 C2 122.8(7) . . ?
C4 C3 H3 118.6 . . ?
C2 C3 H3 118.6 . . ?
C15 C20 C19 121.6(9) . . ?
C15 C20 H20 119.2 . . ?
C19 C20 H20 119.2 . . ?
C18 C19 C20 119.6(9) . . ?
C18 C19 H19 120.2 . . ?
C20 C19 H19 120.2 . . ?
C38 C37 C36 120.4(9) . . ?
C38 C37 H37 119.8 . . ?
C36 C37 H37 119.8 . . ?
C15 C16 C17 119.3(9) . . ?
C15 C16 H16 120.4 . . ?
C17 C16 H16 120.4 . . ?
C39 C40 C41 121.6(10) . . ?
C39 C40 H40 119.2 . . ?
C41 C40 H40 119.2 . . ?
C29 C34 C33 120.5(8) . . ?
C29 C34 H34 119.8 . . ?
C33 C34 H34 119.8 . . ?
C40 C41 C36 117.9(10) . . ?
C40 C41 H41 121.0 . . ?
C36 C41 H41 121.0 . . ?
C34 C29 C30 120.5(8) . . ?
C34 C29 N2 125.4(9) . . ?
C30 C29 N2 114.1(8) . . ?
O21 C21 O23 121.7(9) . . ?
O21 C21 C18 122.3(13) . . ?
O23 C21 C18 116.0(12) . . ?
C25 C24 C23 122.5(8) . . ?
C25 C24 H24 118.8 . . ?
C23 C24 H24 118.8 . . ?
C32 C31 C30 122.3(9) . . ?
C32 C31 H31 118.9 . . ?
C30 C31 H31 118.9 . . ?
C37 C38 C39 121.8(10) . . ?
C37 C38 H38 119.1 . . ?
C39 C38 H38 119.1 . . ?
C8 C9 C10 120.6(9) . . ?
C8 C9 H9 119.7 . . ?
C10 C9 H9 119.7 . . ?
C24 C25 C26 118.7(8) . . ?
C24 C25 H25 120.7 . . ?
C26 C25 H25 120.7 . . ?
C31 C30 C29 116.4(9) . . ?
C31 C30 H30 121.8 . . ?
C29 C30 H30 121.8 . . ?
C18 C17 C16 125.5(9) . . ?
C18 C17 H17 117.3 . . ?
C16 C17 H17 117.3 . . ?
O12 C62 O13' 122.2(11) . . ?
O12 C62 O13 141.7(9) . . ?
O13' C62 O13 42.4(6) . . ?
O12 C62 C61 113.2(8) . 3_675 ?
O13' C62 C61 112.6(10) . 3_675 ?
O13 C62 C61 104.4(9) . 3_675 ?
C12 C13 C8 121.8(8) . . ?
C12 C13 H13 119.1 . . ?
C8 C13 H13 119.1 . . ?
C11 C10 C9 118.3(9) . . ?
C11 C10 H10 120.9 . . ?
C9 C10 H10 120.9 . . ?
C62 O13 Zn3 121.4(8) . . ?
C61 C60 C59 114.8(14) . . ?
C61 C60 H60 122.6 . . ?
C59 C60 H60 122.6 . . ?
C58 C59 C60 109.3(14) . . ?
C58 C59 H59 125.4 . . ?
C60 C59 H59 125.4 . . ?
C62 O13' Zn3 117.2(8) . . ?
C60' C59' C58 103.0(13) . . ?
C60' C59' H59' 128.5 . . ?
C58 C59' H59' 128.5 . . ?
C59' C60' C61 107.5(14) . . ?
C59' C60' H60' 126.3 . . ?
C61 C60' H60' 126.3 . . ?
C59 C58 C57 126.5(10) . . ?
C59 C58 C59' 32.5(8) . . ?
C57 C58 C59' 118.1(9) . . ?
C59 C58 S1 111.2(9) . . ?
C57 C58 S1 121.3(7) . . ?
C59' C58 S1 116.3(8) . . ?
C60 C61 C62 127.4(11) . 2_765 ?
C60 C61 C60' 37.2(8) . . ?
C62 C61 C60' 114.8(10) 2_765 . ?
C60 C61 S1 109.9(9) . . ?
C62 C61 S1 122.5(8) 2_765 . ?
C60' C61 S1 113.3(8) . . ?
C42 O17 Zn8 132.3(7) . . ?
C42 O19 Zn8 131.4(8) . 3_675 ?
C38 C39 C40 119.0(9) . . ?
C38 C39 C42 118.7(11) . . ?
C40 C39 C42 122.3(11) . . ?
C62 O12 Zn4 115.4(6) . . ?

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
O1 Zn1 Zn2 O11 -73.8(3) . . . . ?
O5 Zn1 Zn2 O11 8.3(3) . . . . ?
O6 Zn1 Zn2 O11 -149.8(3) . . . . ?
O9 Zn1 Zn2 O11 103.9(3) . . . . ?
O1 Zn1 Zn2 O8 -168.5(2) . . . . ?
O5 Zn1 Zn2 O8 -86.5(2) . . . . ?
O6 Zn1 Zn2 O8 115.5(2) . . . . ?
O9 Zn1 Zn2 O8 9.2(2) . . . . ?
O1 Zn1 Zn2 O2 94.7(2) . . . . ?
O5 Zn1 Zn2 O2 176.8(2) . . . . ?
O6 Zn1 Zn2 O2 18.7(2) . . . . ?
O9 Zn1 Zn2 O2 -87.6(2) . . . . ?
O5 Zn1 Zn2 O1 82.1(2) . . . . ?
O6 Zn1 Zn2 O1 -76.0(2) . . . . ?
O9 Zn1 Zn2 O1 177.7(2) . . . . ?
O1 Zn1 Zn2 Zn3 37.48(16) . . . . ?
O5 Zn1 Zn2 Zn3 119.54(15) . . . . ?
O6 Zn1 Zn2 Zn3 -38.53(16) . . . . ?
O9 Zn1 Zn2 Zn3 -144.84(14) . . . . ?
O11 Zn2 Zn3 O13 0.4(5) . . . . ?
O8 Zn2 Zn3 O13 -154.0(5) . . . . ?
O2 Zn2 Zn3 O13 105.9(5) . . . . ?
O1 Zn2 Zn3 O13 -86.1(5) . . . . ?
Zn1 Zn2 Zn3 O13 -121.3(5) . . . . ?
O11 Zn2 Zn3 O1 86.5(3) . . . . ?
O8 Zn2 Zn3 O1 -67.9(2) . . . . ?
O2 Zn2 Zn3 O1 -168.0(2) . . . . ?
Zn1 Zn2 Zn3 O1 -35.22(15) . . . . ?
O11 Zn2 Zn3 O3 -124.1(3) . . . . ?
O8 Zn2 Zn3 O3 81.5(3) . . . . ?
O2 Zn2 Zn3 O3 -18.6(2) . . . . ?
O1 Zn2 Zn3 O3 149.4(2) . . . . ?
Zn1 Zn2 Zn3 O3 114.18(18) . . . . ?
O11 Zn2 Zn3 O7 149.2(3) . . . . ?
O8 Zn2 Zn3 O7 -5.2(3) . . . . ?
O2 Zn2 Zn3 O7 -105.4(2) . . . . ?
O1 Zn2 Zn3 O7 62.7(2) . . . . ?
Zn1 Zn2 Zn3 O7 27.45(17) . . . . ?
O11 Zn2 Zn3 O13' 35.1(4) . . . . ?
O8 Zn2 Zn3 O13' -119.3(4) . . . . ?
O2 Zn2 Zn3 O13' 140.6(4) . . . . ?
O1 Zn2 Zn3 O13' -51.4(4) . . . . ?
Zn1 Zn2 Zn3 O13' -86.6(3) . . . . ?
O11 Zn2 Zn3 O2W -85.5(5) . . . . ?
O8 Zn2 Zn3 O2W 120.1(5) . . . . ?
O2 Zn2 Zn3 O2W 19.9(5) . . . . ?
O1 Zn2 Zn3 O2W -172.0(5) . . . . ?
Zn1 Zn2 Zn3 O2W 152.8(4) . . . . ?
O11 Zn2 Zn3 O1W -31.8(3) . . . . ?
O8 Zn2 Zn3 O1W 173.8(3) . . . . ?
O2 Zn2 Zn3 O1W 73.7(3) . . . . ?
O1 Zn2 Zn3 O1W -118.3(3) . . . . ?
Zn1 Zn2 Zn3 O1W -153.5(2) . . . . ?
O15 Zn6 Zn7 O21 -77.2(3) . . . 3_575 ?
O20 Zn6 Zn7 O21 -143.7(4) 11_566 . . 3_575 ?
O20 Zn6 Zn7 O21 116.3(4) 10_676 . . 3_575 ?
O20 Zn6 Zn7 O21 15.2(4) 12_666 . . 3_575 ?
Zn7 Zn6 Zn7 O21 -112.6(3) 2_775 . . 3_575 ?
Zn7 Zn6 Zn7 O21 -41.7(3) 3_575 . . 3_575 ?
O15 Zn6 Zn7 O23 77.8(3) . . . . ?
O20 Zn6 Zn7 O23 11.3(3) 11_566 . . . ?
O20 Zn6 Zn7 O23 -88.7(3) 10_676 . . . ?
O20 Zn6 Zn7 O23 170.2(3) 12_666 . . . ?
Zn7 Zn6 Zn7 O23 42.4(3) 2_775 . . . ?
Zn7 Zn6 Zn7 O23 113.3(3) 3_575 . . . ?
O15 Zn6 Zn7 O22 171.7(2) . . . 10_676 ?
O20 Zn6 Zn7 O22 105.1(3) 11_566 . . 10_676 ?
O20 Zn6 Zn7 O22 5.1(3) 10_676 . . 10_676 ?
O20 Zn6 Zn7 O22 -96.0(3) 12_666 . . 10_676 ?
Zn7 Zn6 Zn7 O22 136.2(2) 2_775 . . 10_676 ?
Zn7 Zn6 Zn7 O22 -152.9(2) 3_575 . . 10_676 ?
O20 Zn6 Zn7 O15 -66.6(2) 11_566 . . . ?
O20 Zn6 Zn7 O15 -166.57(16) 10_676 . . . ?
O20 Zn6 Zn7 O15 92.39(19) 12_666 . . . ?
Zn7 Zn6 Zn7 O15 -35.45(3) 2_775 . . . ?
Zn7 Zn6 Zn7 O15 35.45(3) 3_575 . . . ?
O5 Zn1 O1 Zn4 4.8(2) . . . . ?
O6 Zn1 O1 Zn4 -113.50(19) . . . . ?
O9 Zn1 O1 Zn4 118.10(19) . . . . ?
Zn2 Zn1 O1 Zn4 120.6(2) . . . . ?
O5 Zn1 O1 Zn2 -115.76(18) . . . . ?
O6 Zn1 O1 Zn2 125.94(18) . . . . ?
O9 Zn1 O1 Zn2 -2.5(2) . . . . ?
O5 Zn1 O1 Zn3 128.53(18) . . . . ?
O6 Zn1 O1 Zn3 10.2(2) . . . . ?
O9 Zn1 O1 Zn3 -118.17(19) . . . . ?
Zn2 Zn1 O1 Zn3 -115.7(2) . . . . ?
O12 Zn4 O1 Zn1 124.0(2) . . . . ?
O4 Zn4 O1 Zn1 -8.9(3) . . . . ?
O10 Zn4 O1 Zn1 -122.7(2) . . . . ?
O12 Zn4 O1 Zn2 -115.5(2) . . . . ?
O4 Zn4 O1 Zn2 111.6(2) . . . . ?
O10 Zn4 O1 Zn2 -2.2(2) . . . . ?
O12 Zn4 O1 Zn3 0.8(3) . . . . ?
O4 Zn4 O1 Zn3 -132.1(2) . . . . ?
O10 Zn4 O1 Zn3 114.1(2) . . . . ?
O11 Zn2 O1 Zn1 126.9(2) . . . . ?
O8 Zn2 O1 Zn1 11.7(2) . . . . ?
O2 Zn2 O1 Zn1 -105.3(2) . . . . ?
Zn3 Zn2 O1 Zn1 -118.6(2) . . . . ?
O11 Zn2 O1 Zn4 5.4(3) . . . . ?
O8 Zn2 O1 Zn4 -109.9(2) . . . . ?
O2 Zn2 O1 Zn4 133.10(19) . . . . ?
Zn3 Zn2 O1 Zn4 119.8(2) . . . . ?
Zn1 Zn2 O1 Zn4 -121.6(2) . . . . ?
O11 Zn2 O1 Zn3 -114.4(2) . . . . ?
O8 Zn2 O1 Zn3 130.28(19) . . . . ?
O2 Zn2 O1 Zn3 13.3(2) . . . . ?
Zn1 Zn2 O1 Zn3 118.6(2) . . . . ?
O13 Zn3 O1 Zn1 -130.2(4) . . . . ?
O3 Zn3 O1 Zn1 88.5(2) . . . . ?
O7 Zn3 O1 Zn1 -14.2(2) . . . . ?
O13' Zn3 O1 Zn1 -104.1(3) . . . . ?
O2W Zn3 O1 Zn1 165(2) . . . . ?
O1W Zn3 O1 Zn1 172.0(3) . . . . ?
Zn2 Zn3 O1 Zn1 117.9(2) . . . . ?
O13 Zn3 O1 Zn4 -6.6(4) . . . . ?
O3 Zn3 O1 Zn4 -147.9(2) . . . . ?
O7 Zn3 O1 Zn4 109.33(19) . . . . ?
O13' Zn3 O1 Zn4 19.4(3) . . . . ?
O2W Zn3 O1 Zn4 -72(3) . . . . ?
O1W Zn3 O1 Zn4 -64.4(3) . . . . ?
Zn2 Zn3 O1 Zn4 -118.5(2) . . . . ?
O13 Zn3 O1 Zn2 111.9(4) . . . . ?
O3 Zn3 O1 Zn2 -29.4(2) . . . . ?
O7 Zn3 O1 Zn2 -132.15(17) . . . . ?
O13' Zn3 O1 Zn2 137.9(3) . . . . ?
O2W Zn3 O1 Zn2 47(3) . . . . ?
O1W Zn3 O1 Zn2 54.1(2) . . . . ?
O13 Zn3 O7 C43 131.0(7) . . . . ?
O1 Zn3 O7 C43 12.6(6) . . . . ?
O3 Zn3 O7 C43 -93.0(6) . . . . ?
O13' Zn3 O7 C43 107.9(7) . . . . ?
O2W Zn3 O7 C43 -167.3(7) . . . . ?
O1W Zn3 O7 C43 163.1(11) . . . . ?
Zn2 Zn3 O7 C43 -20.9(7) . . . . ?
O11 Zn2 O8 C50 -138.8(7) . . . . ?
O2 Zn2 O8 C50 108.4(7) . . . . ?
O1 Zn2 O8 C50 -17.0(7) . . . . ?
Zn3 Zn2 O8 C50 19.5(8) . . . . ?
Zn1 Zn2 O8 C50 -10.0(6) . . . . ?
O1 Zn1 O5 C22 5.4(7) . . . . ?
O6 Zn1 O5 C22 130.2(6) . . . . ?
O9 Zn1 O5 C22 -114.9(6) . . . . ?
Zn2 Zn1 O5 C22 -32.9(7) . . . . ?
O1 Zn1 O9 C50 -12.9(7) . . . . ?
O5 Zn1 O9 C50 106.3(6) . . . . ?
O6 Zn1 O9 C50 -143.7(6) . . . . ?
Zn2 Zn1 O9 C50 -14.4(6) . . . . ?
O11 Zn2 O2 C1 143.7(6) . . . . ?
O8 Zn2 O2 C1 -106.6(6) . . . . ?
O1 Zn2 O2 C1 13.0(6) . . . . ?
Zn3 Zn2 O2 C1 21.2(6) . . . . ?
Zn1 Zn2 O2 C1 -27.2(6) . . . . ?
O1 Zn1 O6 C43 3.5(6) . . . . ?
O5 Zn1 O6 C43 -118.7(5) . . . . ?
O9 Zn1 O6 C43 133.0(5) . . . . ?
Zn2 Zn1 O6 C43 42.3(6) . . . . ?
O8 Zn2 O11 C57 113.6(7) . . . . ?
O2 Zn2 O11 C57 -136.8(7) . . . . ?
O1 Zn2 O11 C57 -4.5(7) . . . . ?
Zn3 Zn2 O11 C57 -46.1(7) . . . . ?
Zn1 Zn2 O11 C57 32.8(8) . . . . ?
O12 Zn4 O10 C57 119.5(8) . . . . ?
O1 Zn4 O10 C57 -4.7(8) . . . . ?
O4 Zn4 O10 C57 -121.9(8) . . . . ?
O12 Zn4 O4 C22 -126.9(7) . . . . ?
O1 Zn4 O4 C22 7.6(8) . . . . ?
O10 Zn4 O4 C22 125.1(7) . . . . ?
O13 Zn3 O3 C1 -86.4(9) . . . . ?
O1 Zn3 O3 C1 45.0(8) . . . . ?
O7 Zn3 O3 C1 151.9(8) . . . . ?
O13' Zn3 O3 C1 -99.7(11) . . . . ?
O2W Zn3 O3 C1 -127.6(8) . . . . ?
O1W Zn3 O3 C1 -40.5(8) . . . . ?
Zn2 Zn3 O3 C1 26.7(7) . . . . ?
Zn1 O6 C43 O7 -10.6(9) . . . . ?
Zn1 O6 C43 C44 173.2(4) . . . . ?
Zn3 O7 C43 O6 1.6(10) . . . . ?
Zn3 O7 C43 C44 178.0(4) . . . . ?
C45 C44 C43 O6 -3.3(9) . . . . ?
C49 C44 C43 O6 -179.9(7) . . . . ?
C45 C44 C43 O7 -179.8(6) . . . . ?
C49 C44 C43 O7 3.7(9) . . . . ?
O20 Zn6 O15 Zn7 14.42(17) 11_566 . . 2_775 ?
O20 Zn6 O15 Zn7 -105.58(17) 10_676 . . 2_775 ?
O20 Zn6 O15 Zn7 134.42(17) 12_666 . . 2_775 ?
O20 Zn6 O15 Zn7 134.42(17) 11_566 . . . ?
O20 Zn6 O15 Zn7 14.42(17) 10_676 . . . ?
O20 Zn6 O15 Zn7 -105.58(17) 12_666 . . . ?
O20 Zn6 O15 Zn7 -105.58(17) 11_566 . . 3_575 ?
O20 Zn6 O15 Zn7 134.42(17) 10_676 . . 3_575 ?
O20 Zn6 O15 Zn7 14.42(17) 12_666 . . 3_575 ?
Zn7 Zn6 O15 Zn7 120.00(6) . . . 3_575 ?
O21 Zn7 O15 Zn6 121.3(3) 3_575 . . . ?
O23 Zn7 O15 Zn6 -119.2(2) . . . . ?
O22 Zn7 O15 Zn6 -8.5(2) 10_676 . . . ?
O21 Zn7 O15 Zn7 -119.1(3) 3_575 . . 2_775 ?
O23 Zn7 O15 Zn7 0.3(3) . . . 2_775 ?
O22 Zn7 O15 Zn7 111.1(3) 10_676 . . 2_775 ?
Zn6 Zn7 O15 Zn7 119.6(2) . . . 2_775 ?
O21 Zn7 O15 Zn7 1.7(4) 3_575 . . 3_575 ?
O23 Zn7 O15 Zn7 121.2(3) . . . 3_575 ?
O22 Zn7 O15 Zn7 -128.0(3) 10_676 . . 3_575 ?
Zn6 Zn7 O15 Zn7 -119.6(2) . . . 3_575 ?
O16 Zn5 O14 Zn8 -97.47(16) 18_655 . . 2_765 ?
O16 Zn5 O14 Zn8 142.52(16) 16_665 . . 2_765 ?
O16 Zn5 O14 Zn8 22.52(16) 17 . . 2_765 ?
O16 Zn5 O14 Zn8 22.53(16) 18_655 . . 3_675 ?
O16 Zn5 O14 Zn8 -97.48(16) 16_665 . . 3_675 ?
O16 Zn5 O14 Zn8 142.53(16) 17 . . 3_675 ?
O16 Zn5 O14 Zn8 142.53(16) 18_655 . . . ?
O16 Zn5 O14 Zn8 22.52(16) 16_665 . . . ?
O16 Zn5 O14 Zn8 -97.48(16) 17 . . . ?
O19 Zn8 O14 Zn5 126.7(3) 2_765 . . . ?
O18 Zn8 O14 Zn5 -12.3(2) 16_665 . . . ?
O17 Zn8 O14 Zn5 -123.0(2) . . . . ?
O19 Zn8 O14 Zn8 7.0(4) 2_765 . . 2_765 ?
O18 Zn8 O14 Zn8 -131.9(3) 16_665 . . 2_765 ?
O17 Zn8 O14 Zn8 117.3(3) . . . 2_765 ?
O19 Zn8 O14 Zn8 -113.7(3) 2_765 . . 3_675 ?
O18 Zn8 O14 Zn8 107.4(3) 16_665 . . 3_675 ?
O17 Zn8 O14 Zn8 -3.3(3) . . . 3_675 ?
O21 Zn7 O23 C21 120.1(9) 3_575 . . . ?
O22 Zn7 O23 C21 -117.3(9) 10_676 . . . ?
O15 Zn7 O23 C21 -2.0(10) . . . . ?
Zn6 Zn7 O23 C21 -38.8(10) . . . . ?
Zn1 O9 C50 O8 13.4(11) . . . . ?
Zn1 O9 C50 C51 -166.7(4) . . . . ?
Zn2 O8 C50 O9 3.3(12) . . . . ?
Zn2 O8 C50 C51 -176.6(5) . . . . ?
O9 C50 C51 C52 178.7(7) . . . . ?
O8 C50 C51 C52 -1.4(10) . . . . ?
O9 C50 C51 C56 0.8(11) . . . . ?
O8 C50 C51 C56 -179.3(7) . . . . ?
C45 C44 C49 C48 -0.1(10) . . . . ?
C43 C44 C49 C48 176.5(6) . . . . ?
Zn1 O5 C22 O4 -10.0(12) . . . . ?
Zn1 O5 C22 C23 170.9(5) . . . . ?
Zn4 O4 C22 O5 2.6(13) . . . . ?
Zn4 O4 C22 C23 -178.2(5) . . . . ?
C47 N3 C47 C48 30.7(13) 2_775 . . . ?
C47 N3 C47 C48 -129.1(7) 3_575 . . . ?
C47 N3 C47 C46 -150.5(7) 2_775 . . . ?
C47 N3 C47 C46 49.7(13) 3_575 . . . ?
C54 N4 C54 C53 134.4(8) 2_665 . . . ?
C54 N4 C54 C53 -31.4(15) 3_565 . . . ?
C54 N4 C54 C55 -44.0(15) 2_665 . . . ?
C54 N4 C54 C55 150.2(8) 3_565 . . . ?
C49 C44 C45 C46 -2.1(10) . . . . ?
C43 C44 C45 C46 -178.8(7) . . . . ?
C55 C54 C53 C52 -0.4(11) . . . . ?
N4 C54 C53 C52 -178.8(8) . . . . ?
C46 C47 C48 C49 -2.6(11) . . . . ?
N3 C47 C48 C49 176.2(7) . . . . ?
C44 C49 C48 C47 2.5(11) . . . . ?
C56 C51 C52 C53 -1.4(11) . . . . ?
C50 C51 C52 C53 -179.3(7) . . . . ?
C54 C53 C52 C51 0.9(12) . . . . ?
C8 N1 C5 C6 -27.5(14) . . . . ?
C15 N1 C5 C6 158.7(10) . . . . ?
C8 N1 C5 C4 154.4(10) . . . . ?
C15 N1 C5 C4 -19.4(14) . . . . ?
C48 C47 C46 C45 0.4(10) . . . . ?
N3 C47 C46 C45 -178.5(7) . . . . ?
C44 C45 C46 C47 2.1(11) . . . . ?
C52 C51 C56 C55 1.5(11) . . . . ?
C50 C51 C56 C55 179.4(7) . . . . ?
C53 C54 C55 C56 0.6(12) . . . . ?
N4 C54 C55 C56 179.0(8) . . . . ?
C51 C56 C55 C54 -1.2(12) . . . . ?
Zn6 O20 C14 O22 5.0(14) 10_676 . . . ?
Zn6 O20 C14 C11 -174.5(5) 10_676 . . . ?
Zn7 O22 C14 O20 -14.7(15) 10_676 . . . ?
Zn7 O22 C14 C11 164.9(6) 10_676 . . . ?
C3 C2 C7 C6 -3.9(13) . . . . ?
C1 C2 C7 C6 -179.3(8) . . . . ?
C27 C28 C23 C24 2.9(13) . . . . ?
C27 C28 C23 C22 -177.9(8) . . . . ?
O5 C22 C23 C24 179.7(8) . . . . ?
O4 C22 C23 C24 0.4(12) . . . . ?
O5 C22 C23 C28 0.5(12) . . . . ?
O4 C22 C23 C28 -178.8(8) . . . . ?
C5 N1 C15 C20 127.5(10) . . . . ?
C8 N1 C15 C20 -46.5(14) . . . . ?
C5 N1 C15 C16 -53.8(14) . . . . ?
C8 N1 C15 C16 132.2(11) . . . . ?
Zn2 O2 C1 O3 -11.5(11) . . . . ?
Zn2 O2 C1 C2 169.3(5) . . . . ?
Zn3 O3 C1 O2 -21.4(13) . . . . ?
Zn3 O3 C1 C2 157.7(5) . . . . ?
C3 C2 C1 O2 -166.9(8) . . . . ?
C7 C2 C1 O2 8.2(11) . . . . ?
C3 C2 C1 O3 13.9(12) . . . . ?
C7 C2 C1 O3 -171.0(7) . . . . ?
C23 C28 C27 C26 -3.4(13) . . . . ?
N1 C5 C6 C7 176.6(8) . . . . ?
C4 C5 C6 C7 -5.2(14) . . . . ?
C2 C7 C6 C5 5.4(14) . . . . ?
O20 C14 C11 C10 -177.1(9) . . . . ?
O22 C14 C11 C10 3.4(13) . . . . ?
O20 C14 C11 C12 -1.7(13) . . . . ?
O22 C14 C11 C12 178.7(8) . . . . ?
C10 C11 C12 C13 -8.8(14) . . . . ?
C14 C11 C12 C13 175.9(8) . . . . ?
C29 N2 C36 C37 132.7(11) . . . . ?
C26 N2 C36 C37 -56.3(13) . . . . ?
C29 N2 C36 C41 -48.4(13) . . . . ?
C26 N2 C36 C41 122.6(10) . . . . ?
C28 C27 C26 C25 -1.2(14) . . . . ?
C28 C27 C26 N2 178.5(8) . . . . ?
C29 N2 C26 C25 146.2(10) . . . . ?
C36 N2 C26 C25 -24.6(14) . . . . ?
C29 N2 C26 C27 -33.5(14) . . . . ?
C36 N2 C26 C27 155.7(9) . . . . ?
Zn5 O16 C35 O18 11.5(13) 16_665 . . . ?
Zn5 O16 C35 C32 -174.1(5) 16_665 . . . ?
Zn8 O18 C35 O16 -31.3(14) 16_665 . . . ?
Zn8 O18 C35 C32 154.5(7) 16_665 . . . ?
C31 C32 C35 O16 179.7(9) . . . . ?
C33 C32 C35 O16 3.5(14) . . . . ?
C31 C32 C35 O18 -5.9(14) . . . . ?
C33 C32 C35 O18 177.8(9) . . . . ?
Zn4 O10 C57 O11 7.9(14) . . . . ?
Zn4 O10 C57 C58 -176.8(5) . . . . ?
Zn2 O11 C57 O10 -2.7(14) . . . . ?
Zn2 O11 C57 C58 -178.1(5) . . . . ?
C5 N1 C8 C9 134.9(10) . . . . ?
C15 N1 C8 C9 -50.9(13) . . . . ?
C5 N1 C8 C13 -48.9(14) . . . . ?
C15 N1 C8 C13 125.3(10) . . . . ?
C31 C32 C33 C34 -2.5(14) . . . . ?
C35 C32 C33 C34 173.8(9) . . . . ?
C6 C5 C4 C3 3.9(15) . . . . ?
N1 C5 C4 C3 -177.9(9) . . . . ?
C5 C4 C3 C2 -2.6(16) . . . . ?
C7 C2 C3 C4 2.6(14) . . . . ?
C1 C2 C3 C4 177.8(9) . . . . ?
C16 C15 C20 C19 -2.0(16) . . . . ?
N1 C15 C20 C19 176.7(9) . . . . ?
C17 C18 C19 C20 2.1(15) . . . . ?
C21 C18 C19 C20 -176.4(10) . . . . ?
C15 C20 C19 C18 0.1(16) . . . . ?
C41 C36 C37 C38 6.0(17) . . . . ?
N2 C36 C37 C38 -175.1(10) . . . . ?
C20 C15 C16 C17 1.7(17) . . . . ?
N1 C15 C16 C17 -177.0(9) . . . . ?
C32 C33 C34 C29 1.5(15) . . . . ?
C39 C40 C41 C36 2.1(16) . . . . ?
C37 C36 C41 C40 -4.6(15) . . . . ?
N2 C36 C41 C40 176.5(8) . . . . ?
C33 C34 C29 C30 -0.3(15) . . . . ?
C33 C34 C29 N2 -177.8(8) . . . . ?
C36 N2 C29 C34 131.3(10) . . . . ?
C26 N2 C29 C34 -39.2(15) . . . . ?
C36 N2 C29 C30 -46.3(13) . . . . ?
C26 N2 C29 C30 143.2(9) . . . . ?
Zn7 O21 C21 O23 3.3(19) 2_775 . . . ?
Zn7 O21 C21 C18 -173.8(7) 2_775 . . . ?
Zn7 O23 C21 O21 0.4(17) . . . . ?
Zn7 O23 C21 C18 177.7(6) . . . . ?
C17 C18 C21 O21 -10.8(18) . . . . ?
C19 C18 C21 O21 167.5(11) . . . . ?
C17 C18 C21 O23 171.9(10) . . . . ?
C19 C18 C21 O23 -9.7(15) . . . . ?
C28 C23 C24 C25 2.4(15) . . . . ?
C22 C23 C24 C25 -176.7(9) . . . . ?
C33 C32 C31 C30 2.5(15) . . . . ?
C35 C32 C31 C30 -174.0(9) . . . . ?
C36 C37 C38 C39 -4.9(19) . . . . ?
N1 C8 C9 C10 177.8(9) . . . . ?
C13 C8 C9 C10 1.4(15) . . . . ?
C23 C24 C25 C26 -6.9(17) . . . . ?
C27 C26 C25 C24 6.2(16) . . . . ?
N2 C26 C25 C24 -173.5(9) . . . . ?
C32 C31 C30 C29 -1.4(15) . . . . ?
C34 C29 C30 C31 0.3(15) . . . . ?
N2 C29 C30 C31 178.0(8) . . . . ?
C19 C18 C17 C16 -2.5(18) . . . . ?
C21 C18 C17 C16 175.9(11) . . . . ?
C15 C16 C17 C18 0.7(19) . . . . ?
C11 C12 C13 C8 4.6(15) . . . . ?
C9 C8 C13 C12 -1.0(15) . . . . ?
N1 C8 C13 C12 -177.2(8) . . . . ?
C12 C11 C10 C9 9.1(15) . . . . ?
C14 C11 C10 C9 -175.6(8) . . . . ?
C8 C9 C10 C11 -5.5(16) . . . . ?
O12 C62 O13 Zn3 -16(2) . . . . ?
O13' C62 O13 Zn3 67.2(11) . . . . ?
C61 C62 O13 Zn3 175.1(7) 3_675 . . . ?
O1 Zn3 O13 C62 12.9(11) . . . . ?
O3 Zn3 O13 C62 141.1(8) . . . . ?
O7 Zn3 O13 C62 -101.0(9) . . . . ?
O13' Zn3 O13 C62 -49.0(10) . . . . ?
O2W Zn3 O13 C62 -174.5(11) . . . . ?
O1W Zn3 O13 C62 86.7(10) . . . . ?
Zn2 Zn3 O13 C62 52.9(11) . . . . ?
C61 C60 C59 C58 3(2) . . . . ?
O12 C62 O13' Zn3 84.2(15) . . . . ?
O13 C62 O13' Zn3 -49.0(9) . . . . ?
C61 C62 O13' Zn3 -135.7(8) 3_675 . . . ?
O13 Zn3 O13' C62 61.4(11) . . . . ?
O1 Zn3 O13' C62 -63.0(10) . . . . ?
O3 Zn3 O13' C62 82.4(12) . . . . ?
O7 Zn3 O13' C62 -167.3(10) . . . . ?
O2W Zn3 O13' C62 109.6(10) . . . . ?
O1W Zn3 O13' C62 23.2(9) . . . . ?
Zn2 Zn3 O13' C62 -34.9(11) . . . . ?
C58 C59' C60' C61 -6.6(16) . . . . ?
C60 C59 C58 C57 175.2(11) . . . . ?
C60 C59 C58 C59' -99(2) . . . . ?
C60 C59 C58 S1 7.2(16) . . . . ?
O10 C57 C58 C59 -158.2(12) . . . . ?
O11 C57 C58 C59 17.8(16) . . . . ?
O10 C57 C58 C59' 164.5(10) . . . . ?
O11 C57 C58 C59' -19.6(13) . . . . ?
O10 C57 C58 S1 8.8(11) . . . . ?
O11 C57 C58 S1 -175.3(6) . . . . ?
C60' C59' C58 C59 77(2) . . . . ?
C60' C59' C58 C57 -168.2(10) . . . . ?
C60' C59' C58 S1 -11.3(15) . . . . ?
C61 S1 C58 C59 -12.3(10) . . . . ?
C61 S1 C58 C57 179.0(8) . . . . ?
C61 S1 C58 C59' 22.8(10) . . . . ?
C59 C60 C61 C62 172.8(12) . . . 2_765 ?
C59 C60 C61 C60' 90.5(19) . . . . ?
C59 C60 C61 S1 -12.2(17) . . . . ?
C59' C60' C61 C60 -69.0(17) . . . . ?
C59' C60' C61 C62 171.2(11) . . . 2_765 ?
C59' C60' C61 S1 23.5(15) . . . . ?
C58 S1 C61 C60 13.6(10) . . . . ?
C58 S1 C61 C62 -171.1(9) . . . 2_765 ?
C58 S1 C61 C60' -26.3(10) . . . . ?
O19 C42 O17 Zn8 2.0(18) . . . . ?
C39 C42 O17 Zn8 -177.9(6) . . . . ?
O19 Zn8 O17 C42 116.5(10) 2_765 . . . ?
O18 Zn8 O17 C42 -113.7(10) 16_665 . . . ?
O14 Zn8 O17 C42 -1.9(10) . . . . ?
O17 C42 O19 Zn8 4(2) . . . 3_675 ?
C39 C42 O19 Zn8 -175.9(7) . . . 3_675 ?
C37 C38 C39 C40 2.3(18) . . . . ?
C37 C38 C39 C42 179.6(11) . . . . ?
C41 C40 C39 C38 -0.9(17) . . . . ?
C41 C40 C39 C42 -178.0(10) . . . . ?
O19 C42 C39 C38 -11.4(16) . . . . ?
O17 C42 C39 C38 168.5(10) . . . . ?
O19 C42 C39 C40 165.7(11) . . . . ?
O17 C42 C39 C40 -14.4(15) . . . . ?
O13' C62 O12 Zn4 -44.0(16) . . . . ?
O13 C62 O12 Zn4 8(2) . . . . ?
C61 C62 O12 Zn4 176.1(6) 3_675 . . . ?
O1 Zn4 O12 C62 0.2(9) . . . . ?
O4 Zn4 O12 C62 130.9(9) . . . . ?
O10 Zn4 O12 C62 -118.6(9) . . . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         1.022
_refine_diff_density_min         -0.439
_refine_diff_density_rms         0.084

# SQUEEZE RESULTS (APPEND TO CIF)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
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 -0.026 -0.010 0.000 70679 5747 ' '
_platon_squeeze_details          
;
;

