# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2023

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
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# 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 
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data_170516a
_database_code_depnum_ccdc_archive 'CCDC 1918839'
_audit_update_record             
;
2023-01-03 deposited with the CCDC.	2023-02-01 downloaded from the CCDC.
;
_audit_creation_date             2023-01-03
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2019/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C72 H120 N24 O66 Sb2 W18 Zn8, 2(C6 H11 N2)'
_chemical_formula_sum            'C84 H142 N28 O66 Sb2 W18 Zn8'
_chemical_formula_weight         6676.01
_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 0.0033 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'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 '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      tetragonal
_space_group_IT_number           86
_space_group_name_H-M_alt        'P 42/n'
_space_group_name_Hall           '-P 4bc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y+1/2, z'
'-y, x+1/2, z+1/2'
'y+1/2, -x, z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'y, -x-1/2, -z-1/2'
'-y-1/2, x, -z-1/2'

_cell_length_a                   31.704(3)
_cell_length_b                   31.704(3)
_cell_length_c                   14.8740(13)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     14951(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9261
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      26.029
_cell_measurement_theta_min      2.450
_shelx_estimated_absorpt_T_max   0.148
_shelx_estimated_absorpt_T_min   0.125
_exptl_absorpt_coefficient_mu    15.482
_exptl_absorpt_correction_T_max  0.1478
_exptl_absorpt_correction_T_min  0.1250
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.966
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             12176
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1231
_diffrn_reflns_av_unetI/netI     0.1032
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            74106
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.019
_diffrn_reflns_theta_max         25.019
_diffrn_reflns_theta_min         2.275
_diffrn_ambient_temperature      298(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8286
_reflns_number_total             13168
_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       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL-2019/1 (Sheldrick, 2019)'
_computing_structure_solution    'Bruker SHELXTL'
_refine_diff_density_max         3.781
_refine_diff_density_min         -1.882
_refine_diff_density_rms         0.298
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.942
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     929
_refine_ls_number_reflns         13168
_refine_ls_number_restraints     1818
_refine_ls_R_factor_all          0.1038
_refine_ls_R_factor_gt           0.0547
_refine_ls_restrained_S_all      0.895
_refine_ls_shift/su_max          0.046
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0613P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1117
_refine_ls_wR_factor_ref         0.1259
_refine_special_details          ?
_olex2_refinement_description    
;
1. Restrained distances
 N2-C4 = N4-C10
 1.45 with sigma of 0.01
 N2-C5 = N2-C6 = N4-C11 = N4-C12
 2.41 with sigma of 0.02
 C5-C6 = C11-C12
 2.54 with sigma of 0.02
 C4-C5 = C4-C6 = C10-C11 = C10-C12 = C16-C17 = C16-C18 = C34-C35 = C34-C36
 1.53 with sigma of 0.01
2. Uiso/Uaniso restraints and constraints
C1 \\sim C2 \\sim C3 \\sim C4 \\sim C5 \\sim C6 \\sim C7 \\sim C8 \\sim C9
\\sim C10 \\sim C11 \\sim C12 \\sim C13 \\sim C14 \\sim C15 \\sim C16 \\sim C17
\\sim C18 \\sim C19 \\sim C20 \\sim C21 \\sim C22 \\sim C23 \\sim C24 \\sim C25
\\sim C26 \\sim C27 \\sim C28 \\sim C29 \\sim C30 \\sim C31 \\sim C32 \\sim C33
\\sim C34 \\sim C35 \\sim C36 \\sim C37 \\sim C38 \\sim C39 \\sim C40 \\sim C41
\\sim C42 \\sim N1 \\sim N2 \\sim N3 \\sim N4 \\sim N5 \\sim N6 \\sim N7 \\sim
N8 \\sim N9 \\sim N10 \\sim N11 \\sim N12 \\sim N13 \\sim N14: within 3.8A with
sigma of 0.01 and sigma for terminal atoms of 0.02 within 3.8A
O1 \\sim O2 \\sim O3 \\sim O4 \\sim O5 \\sim O6 \\sim O7 \\sim O8 \\sim O9
\\sim O10 \\sim O11 \\sim O12 \\sim O13 \\sim O14 \\sim O15 \\sim O16 \\sim O17
\\sim O18 \\sim O19 \\sim O20 \\sim O21 \\sim O22 \\sim O23 \\sim O24 \\sim O25
\\sim O26 \\sim O27 \\sim O28 \\sim O29 \\sim O30 \\sim O31 \\sim O32 \\sim
O33: within 3.8A with sigma of 0.02 and sigma for terminal atoms of 0.04 within
3.8A
Uanis(O29) \\sim Ueq, Uanis(O32) \\sim Ueq, Uanis(O31) \\sim Ueq: with sigma of
0.001 and sigma for terminal atoms of 0.002
3.a Ternary CH refined with riding coordinates:
 C4(H4), C10(H10), C16(H16), C22(H22), C28(H28), C34(H34), C40(H40)
3.b Me refined with riding coordinates:
 C5(H5A,H5B,H5C), C6(H6A,H6B,H6C), C11(H11A,H11B,H11C), C12(H12A,H12B,H12C),
 C18(H18A,H18B,H18C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C29(H29A,H29B,
 H29C), C30(H30A,H30B,H30C), C35(H35A,H35B,H35C), C36(H36A,H36B,H36C), C41(H41A,
 H41B,H41C), C42(H42A,H42B,H42C)
3.c Aromatic/amide H refined with riding coordinates:
 N14(H14), C1(H1), C2(H2), C3(H3), C7(H7), C8(H8), C9(H9), C13(H13), C14(H14A),
  C15(H15), C19(H19), C20(H20), C21(H21), C25(H25), C26(H26), C27(H27),
 C31(H31), C32(H32), C33(H33), C37(H37), C38(H38), C39(H39)
3.d Idealised Me refined as rotating group:
 C17(H17A,H17B,H17C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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 0.98733(6) 0.55019(6) 0.17717(13) 0.0261(5) Uani 1 1 d . . . . .
Zn2 Zn 1.07374(6) 0.50288(6) 0.14980(13) 0.0255(5) Uani 1 1 d . . . . .
Zn3 Zn 1.08522(6) 0.45031(6) -0.03131(13) 0.0256(5) Uani 1 1 d . . . . .
Zn4 Zn 0.75066(7) 0.46989(7) -0.08738(15) 0.0341(5) Uani 1 1 d . . . . .
W1 W 0.86173(2) 0.45358(2) 0.02397(5) 0.02360(17) Uani 1 1 d . . . . .
W2 W 0.89792(2) 0.48598(2) 0.22170(5) 0.02522(18) Uani 1 1 d . . . . .
W7 W 0.93878(3) 0.31623(2) 0.04891(5) 0.03088(19) Uani 1 1 d . . . . .
W4 W 1.06449(2) 0.39216(2) 0.17075(5) 0.02850(19) Uani 1 1 d . . . . .
W9 W 0.87104(2) 0.38415(2) 0.19041(5) 0.02799(19) Uani 1 1 d . . . . .
W6 W 0.92840(2) 0.38496(2) -0.12001(5) 0.02478(18) Uani 1 1 d . . . . .
W8 W 0.97757(2) 0.35334(2) 0.26887(5) 0.02937(19) Uani 1 1 d . . . . .
W5 W 1.02411(2) 0.35668(2) -0.05109(5) 0.02816(19) Uani 1 1 d . . . . .
W3 W 1.00496(2) 0.45390(2) 0.30073(5) 0.02825(19) Uani 1 1 d . . . . .
Sb1 Sb 0.97155(3) 0.43813(3) 0.07119(7) 0.0192(3) Uani 1 1 d . . . . .
N1 N 0.9698(8) 0.5796(7) 0.2902(16) 0.089(4) Uani 1 1 d . U . . .
N2 N 0.9279(7) 0.6188(7) 0.3790(17) 0.097(4) Uani 1 1 d D U . . .
N3 N 1.1207(6) 0.5100(6) 0.2380(12) 0.058(3) Uani 1 1 d . U . . .
N4 N 1.1655(5) 0.5001(6) 0.3504(11) 0.065(3) Uani 1 1 d D U . . .
N5 N 1.1352(7) 0.4128(7) -0.0602(17) 0.094(4) Uani 1 1 d . U . . .
N6 N 1.1728(8) 0.3559(8) -0.0709(19) 0.100(4) Uani 1 1 d . U . . .
N7 N 0.7257(6) 0.4721(7) 0.0322(14) 0.069(3) Uani 1 1 d . U . . .
N8 N 0.7207(6) 0.4714(7) 0.1833(14) 0.071(3) Uani 1 1 d . U . . .
N9 N 0.7629(6) 0.5266(7) -0.1342(15) 0.076(3) Uani 1 1 d . U . . .
N10 N 0.7549(7) 0.5920(7) -0.1858(16) 0.083(3) Uani 1 1 d . U . . .
N11 N 0.7580(7) 0.4115(7) -0.1322(16) 0.079(3) Uani 1 1 d . U . . .
N12 N 0.7769(7) 0.3446(7) -0.1347(17) 0.089(3) Uani 1 1 d . U . . .
N13 N 0.6230(10) 0.1151(12) 0.536(2) 0.130(6) Uani 1 1 d . U . . .
N14 N 0.5939(9) 0.0801(11) 0.439(2) 0.128(6) Uani 1 1 d . U . . .
H14 H 0.587322 0.070724 0.386432 0.153 Uiso 1 1 calc R U . . .
O1 O 0.9940(4) 0.4104(4) 0.1805(7) 0.028(2) Uani 1 1 d . U . . .
O2 O 0.9642(4) 0.3823(3) 0.0124(8) 0.027(2) Uani 1 1 d . U . . .
O3 O 0.9131(3) 0.4339(3) 0.1194(7) 0.024(2) Uani 1 1 d . U . . .
O4 O 0.8371(4) 0.4087(4) 0.1011(8) 0.030(2) Uani 1 1 d . U . . .
O5 O 0.8148(4) 0.4662(4) -0.0301(8) 0.030(3) Uani 1 1 d . U . . .
O6 O 0.8832(4) 0.4114(4) -0.0529(8) 0.031(2) Uani 1 1 d . U . . .
O7 O 0.8546(4) 0.4890(4) 0.1288(7) 0.028(2) Uani 1 1 d . U . . .
O8 O 0.8993(3) 0.4926(3) -0.0232(7) 0.024(2) Uani 1 1 d . U . . .
O9 O 0.8690(4) 0.4351(4) 0.2591(8) 0.030(2) Uani 1 1 d . U . . .
O10 O 0.8761(4) 0.5217(4) 0.2927(8) 0.039(3) Uani 1 1 d . U . . .
O11 O 0.9325(3) 0.5179(3) 0.1498(7) 0.023(2) Uani 1 1 d . U . . .
O12 O 0.9458(4) 0.4671(4) 0.2886(8) 0.030(2) Uani 1 1 d . U . . .
O13 O 1.0166(4) 0.4950(4) 0.2158(8) 0.030(3) Uani 1 1 d . U . . .
O14 O 1.0170(4) 0.4775(4) 0.4026(8) 0.038(3) Uani 1 1 d . U . . .
O15 O 0.9884(4) 0.3989(4) 0.3489(8) 0.031(2) Uani 1 1 d . U . . .
O16 O 1.0587(4) 0.4276(4) 0.2777(8) 0.033(3) Uani 1 1 d . U . . .
O17 O 1.1147(4) 0.3746(4) 0.1865(9) 0.040(3) Uani 1 1 d . U . . .
O18 O 1.0368(4) 0.3494(4) 0.2438(8) 0.034(3) Uani 1 1 d . U . . .
O19 O 1.0496(4) 0.3621(4) 0.0661(8) 0.033(2) Uani 1 1 d . U . . .
O20 O 1.0699(4) 0.4409(4) 0.1028(8) 0.035(3) Uani 1 1 d . U . . .
O21 O 1.0628(4) 0.3304(4) -0.1091(9) 0.039(3) Uani 1 1 d . U . . .
O22 O 1.0366(4) 0.4126(4) -0.0725(8) 0.032(3) Uani 1 1 d . U . . .
O23 O 0.9816(4) 0.3600(4) -0.1479(8) 0.031(3) Uani 1 1 d . U . . .
O24 O 0.9918(4) 0.3090(4) -0.0086(8) 0.033(3) Uani 1 1 d . U . . .
O25 O 0.9520(4) 0.4392(3) -0.1324(8) 0.027(2) Uani 1 1 d . U . . .
O26 O 0.9038(4) 0.3767(4) -0.2203(8) 0.039(3) Uani 1 1 d . U . . .
O27 O 0.9137(4) 0.3317(4) -0.0628(8) 0.031(2) Uani 1 1 d . U . . .
O28 O 0.9236(4) 0.2650(4) 0.0593(9) 0.045(3) Uani 1 1 d . U . . .
O29 O 0.9733(4) 0.3230(3) 0.1565(7) 0.027(2) Uani 1 1 d . U . . .
O30 O 0.9737(4) 0.3124(4) 0.3461(8) 0.034(3) Uani 1 1 d . U . . .
O31 O 0.9209(3) 0.3761(3) 0.2648(7) 0.022(2) Uani 1 1 d . U . . .
O32 O 0.8900(4) 0.3463(4) 0.0943(7) 0.028(2) Uani 1 1 d . U . . .
O33 O 0.8350(4) 0.3551(4) 0.2461(8) 0.034(3) Uani 1 1 d . U . . .
C1 C 0.9417(10) 0.6097(9) 0.293(2) 0.095(4) Uani 1 1 d . U . . .
H1 H 0.931925 0.623667 0.241968 0.114 Uiso 1 1 calc R U . . .
C2 C 0.9477(10) 0.5913(10) 0.433(2) 0.096(4) Uani 1 1 d . U . . .
H2 H 0.943368 0.587686 0.494546 0.115 Uiso 1 1 calc R U . . .
C3 C 0.9744(10) 0.5704(9) 0.382(2) 0.095(4) Uani 1 1 d . U . . .
H3 H 0.994248 0.551562 0.404077 0.114 Uiso 1 1 calc R U . . .
C4 C 0.8972(6) 0.6527(6) 0.3790(16) 0.099(4) Uani 1 1 d D U . . .
H4 H 0.895360 0.661772 0.316095 0.119 Uiso 1 1 calc R U . . .
C5 C 0.9132(9) 0.6907(7) 0.429(2) 0.119(6) Uani 1 1 d D U . . .
H5A H 0.892219 0.712526 0.427859 0.179 Uiso 1 1 calc R U . . .
H5B H 0.919078 0.683090 0.490259 0.179 Uiso 1 1 calc R U . . .
H5C H 0.938563 0.700757 0.401010 0.179 Uiso 1 1 calc R U . . .
C6 C 0.8539(6) 0.6356(9) 0.401(2) 0.121(6) Uani 1 1 d D U . . .
H6A H 0.833859 0.658298 0.400535 0.181 Uiso 1 1 calc R U . . .
H6B H 0.846040 0.615062 0.356479 0.181 Uiso 1 1 calc R U . . .
H6C H 0.854410 0.622685 0.459077 0.181 Uiso 1 1 calc R U . . .
C7 C 1.1298(8) 0.4876(9) 0.3068(16) 0.066(3) Uani 1 1 d . U . . .
H7 H 1.113549 0.464824 0.325456 0.079 Uiso 1 1 calc R U . . .
C8 C 1.1815(8) 0.5338(8) 0.3058(16) 0.064(3) Uani 1 1 d . U . . .
H8 H 1.205626 0.549373 0.318751 0.077 Uiso 1 1 calc R U . . .
C9 C 1.1526(7) 0.5393(8) 0.2356(15) 0.060(3) Uani 1 1 d . U . . .
H9 H 1.154843 0.560288 0.192191 0.072 Uiso 1 1 calc R U . . .
C10 C 1.1864(5) 0.4863(6) 0.4318(11) 0.068(3) Uani 1 1 d D U . . .
H10 H 1.199344 0.511283 0.459143 0.082 Uiso 1 1 calc R U . . .
C11 C 1.1540(7) 0.4698(9) 0.4973(13) 0.091(5) Uani 1 1 d D U . . .
H11A H 1.167878 0.460724 0.551271 0.136 Uiso 1 1 calc R U . . .
H11B H 1.134247 0.491775 0.511408 0.136 Uiso 1 1 calc R U . . .
H11C H 1.139321 0.446428 0.470804 0.136 Uiso 1 1 calc R U . . .
C12 C 1.2217(6) 0.4560(8) 0.4082(16) 0.091(5) Uani 1 1 d D U . . .
H12A H 1.235508 0.446936 0.462218 0.137 Uiso 1 1 calc R U . . .
H12B H 1.210216 0.431994 0.377438 0.137 Uiso 1 1 calc R U . . .
H12C H 1.241693 0.469962 0.369882 0.137 Uiso 1 1 calc R U . . .
C13 C 1.1418(9) 0.3752(9) -0.033(2) 0.099(4) Uani 1 1 d . U . . .
H13 H 1.125498 0.362697 0.011882 0.119 Uiso 1 1 calc R U . . .
C14 C 1.1908(10) 0.3837(10) -0.122(2) 0.102(4) Uani 1 1 d . U . . .
H14A H 1.215809 0.380199 -0.153658 0.122 Uiso 1 1 calc R U . . .
C15 C 1.1667(9) 0.4186(10) -0.120(2) 0.100(4) Uani 1 1 d . U . . .
H15 H 1.170949 0.442669 -0.154841 0.121 Uiso 1 1 calc R U . . .
C16 C 1.1848(7) 0.3113(9) -0.038(2) 0.104(4) Uani 1 1 d D U . . .
H16 H 1.169620 0.302634 0.016163 0.124 Uiso 1 1 calc R U . . .
C17 C 1.2313(8) 0.2991(8) -0.037(2) 0.125(6) Uani 1 1 d D U . . .
H17A H 1.248343 0.324112 -0.038532 0.187 Uiso 1 1 calc DR U . . .
H17B H 1.237588 0.281786 -0.087965 0.187 Uiso 1 1 calc DR U . . .
H17C H 1.237351 0.283656 0.017355 0.187 Uiso 1 1 calc R U . . .
C18 C 1.1708(10) 0.2876(10) -0.122(2) 0.124(6) Uani 1 1 d D U . . .
H18A H 1.141223 0.292448 -0.131942 0.187 Uiso 1 1 calc R U . . .
H18B H 1.186474 0.297568 -0.173006 0.187 Uiso 1 1 calc R U . . .
H18C H 1.175692 0.257992 -0.114150 0.187 Uiso 1 1 calc R U . . .
C19 C 0.7478(8) 0.4701(9) 0.1105(17) 0.072(3) Uani 1 1 d . U . . .
H19 H 0.777017 0.468138 0.114555 0.086 Uiso 1 1 calc R U . . .
C20 C 0.6805(8) 0.4742(9) 0.1498(17) 0.072(3) Uani 1 1 d . U . . .
H20 H 0.655644 0.474647 0.183127 0.087 Uiso 1 1 calc R U . . .
C21 C 0.6837(7) 0.4762(9) 0.0580(17) 0.069(3) Uani 1 1 d . U . . .
H21 H 0.661174 0.479832 0.018789 0.083 Uiso 1 1 calc R U . . .
C22 C 0.7321(8) 0.4683(9) 0.2773(17) 0.072(3) Uani 1 1 d . U . . .
H22 H 0.706189 0.468834 0.313290 0.087 Uiso 1 1 calc R U . . .
C23 C 0.7561(9) 0.5078(10) 0.2946(19) 0.090(5) Uani 1 1 d . U . . .
H23A H 0.765042 0.508384 0.356296 0.135 Uiso 1 1 calc R U . . .
H23B H 0.780440 0.508681 0.256142 0.135 Uiso 1 1 calc R U . . .
H23C H 0.738480 0.531708 0.282599 0.135 Uiso 1 1 calc R U . . .
C24 C 0.7533(8) 0.4276(10) 0.2917(18) 0.087(5) Uani 1 1 d . U . . .
H24A H 0.761078 0.424956 0.353850 0.130 Uiso 1 1 calc R U . . .
H24B H 0.734547 0.405006 0.275733 0.130 Uiso 1 1 calc R U . . .
H24C H 0.778171 0.426152 0.254983 0.130 Uiso 1 1 calc R U . . .
C25 C 0.7351(9) 0.5541(9) -0.165(2) 0.082(3) Uani 1 1 d . U . . .
H25 H 0.706483 0.548801 -0.172353 0.099 Uiso 1 1 calc R U . . .
C26 C 0.7934(8) 0.5878(9) -0.1573(19) 0.081(3) Uani 1 1 d . U . . .
H26 H 0.813205 0.609466 -0.157704 0.097 Uiso 1 1 calc R U . . .
C27 C 0.8009(8) 0.5503(9) -0.1284(19) 0.079(3) Uani 1 1 d . U . . .
H27 H 0.826740 0.540437 -0.107479 0.094 Uiso 1 1 calc R U . . .
C28 C 0.7272(9) 0.6292(9) -0.212(2) 0.085(3) Uani 1 1 d . U . . .
H28 H 0.697189 0.621932 -0.210208 0.102 Uiso 1 1 calc R U . . .
C29 C 0.7369(10) 0.6656(10) -0.155(2) 0.110(5) Uani 1 1 d . U . . .
H29A H 0.728944 0.659449 -0.093968 0.164 Uiso 1 1 calc R U . . .
H29B H 0.766631 0.671429 -0.157240 0.164 Uiso 1 1 calc R U . . .
H29C H 0.721557 0.689844 -0.175596 0.164 Uiso 1 1 calc R U . . .
C30 C 0.7397(10) 0.6408(10) -0.299(2) 0.107(5) Uani 1 1 d . U . . .
H30A H 0.734078 0.618028 -0.340038 0.161 Uiso 1 1 calc R U . . .
H30B H 0.724294 0.665355 -0.317748 0.161 Uiso 1 1 calc R U . . .
H30C H 0.769368 0.646940 -0.299391 0.161 Uiso 1 1 calc R U . . .
C31 C 0.7829(9) 0.3837(9) -0.100(2) 0.087(4) Uani 1 1 d . U . . .
H31 H 0.803319 0.389695 -0.057485 0.104 Uiso 1 1 calc R U . . .
C32 C 0.7453(9) 0.3488(9) -0.192(2) 0.088(4) Uani 1 1 d . U . . .
H32 H 0.732582 0.326966 -0.223597 0.105 Uiso 1 1 calc R U . . .
C33 C 0.7345(8) 0.3903(9) -0.197(2) 0.085(4) Uani 1 1 d . U . . .
H33 H 0.715056 0.402266 -0.235947 0.102 Uiso 1 1 calc R U . . .
C34 C 0.7881(9) 0.3024(9) -0.0826(16) 0.091(4) Uani 1 1 d D U . . .
H34 H 0.763417 0.283826 -0.080719 0.109 Uiso 1 1 calc R U . . .
C35 C 0.8059(9) 0.3078(10) 0.0115(18) 0.109(6) Uani 1 1 d D U . . .
H35A H 0.783711 0.316011 0.051743 0.163 Uiso 1 1 calc R U . . .
H35B H 0.817916 0.281605 0.031378 0.163 Uiso 1 1 calc R U . . .
H35C H 0.827337 0.329179 0.010832 0.163 Uiso 1 1 calc R U . . .
C36 C 0.8170(9) 0.2894(10) -0.159(2) 0.109(5) Uani 1 1 d D U . . .
H36A H 0.800912 0.287355 -0.213890 0.163 Uiso 1 1 calc R U . . .
H36B H 0.838841 0.310034 -0.166611 0.163 Uiso 1 1 calc R U . . .
H36C H 0.829420 0.262460 -0.146065 0.163 Uiso 1 1 calc R U . . .
C37 C 0.6219(12) 0.1110(14) 0.453(3) 0.131(6) Uani 1 1 d . U . . .
H37 H 0.637138 0.125984 0.410257 0.157 Uiso 1 1 calc R U . . .
C38 C 0.5763(12) 0.0647(13) 0.519(2) 0.129(6) Uani 1 1 d . U . . .
H38 H 0.556616 0.043476 0.529593 0.155 Uiso 1 1 calc R U . . .
C39 C 0.5990(12) 0.0926(14) 0.582(3) 0.129(6) Uani 1 1 d . U . . .
H39 H 0.595939 0.093391 0.643674 0.155 Uiso 1 1 calc R U . . .
C40 C 0.6492(12) 0.1499(14) 0.575(3) 0.131(6) Uani 1 1 d . U . . .
H40 H 0.650602 0.141601 0.638685 0.157 Uiso 1 1 calc R U . . .
C41 C 0.6312(11) 0.1934(13) 0.582(3) 0.145(7) Uani 1 1 d . U . . .
H41A H 0.602203 0.191781 0.599828 0.217 Uiso 1 1 calc R U . . .
H41B H 0.646830 0.209368 0.625414 0.217 Uiso 1 1 calc R U . . .
H41C H 0.633125 0.207022 0.524270 0.217 Uiso 1 1 calc R U . . .
C42 C 0.6927(11) 0.1474(13) 0.549(3) 0.146(7) Uani 1 1 d . U . . .
H42A H 0.701228 0.118375 0.546598 0.220 Uiso 1 1 calc R U . . .
H42B H 0.696115 0.159909 0.490454 0.220 Uiso 1 1 calc R U . . .
H42C H 0.709821 0.162255 0.591598 0.220 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Zn1 N1 2.00(2) . ?
Zn1 O11 2.058(11) . ?
Zn1 O13 2.062(12) . ?
Zn1 O22 2.095(12) 5_765 ?
Zn1 O25 2.062(11) 5_765 ?
Zn2 N3 1.998(17) . ?
Zn2 O8 2.072(11) 5_765 ?
Zn2 O13 2.075(11) . ?
Zn2 O20 2.088(12) . ?
Zn2 O25 2.025(11) 5_765 ?
Zn3 N5 2.03(2) . ?
Zn3 O8 2.043(11) 5_765 ?
Zn3 O11 2.106(11) 5_765 ?
Zn3 O20 2.075(12) . ?
Zn3 O22 2.044(12) . ?
Zn4 N7 1.95(2) . ?
Zn4 N9 1.97(2) . ?
Zn4 N11 1.98(2) . ?
Zn4 O5 2.209(12) . ?
Zn4 O30 2.235(12) 3_644 ?
W1 O3 2.248(11) . ?
W1 O4 1.987(11) . ?
W1 O5 1.737(11) . ?
W1 O6 1.887(12) . ?
W1 O7 1.936(11) . ?
W1 O8 1.856(11) . ?
W2 O3 2.297(11) . ?
W2 O7 1.951(11) . ?
W2 O9 1.936(11) . ?
W2 O10 1.695(13) . ?
W2 O11 1.836(11) . ?
W2 O12 1.911(12) . ?
W7 O2 2.309(11) . ?
W7 O24 1.901(12) . ?
W7 O27 1.905(12) . ?
W7 O28 1.700(13) . ?
W7 O29 1.951(11) . ?
W7 O32 1.939(11) . ?
W4 O1 2.312(11) . ?
W4 O16 1.957(12) . ?
W4 O17 1.704(12) . ?
W4 O18 1.947(12) . ?
W4 O19 1.885(12) . ?
W4 O20 1.855(12) . ?
W9 O3 2.319(11) . ?
W9 O4 1.879(12) . ?
W9 O9 1.913(12) . ?
W9 O31 1.946(11) . ?
W9 O32 1.961(11) . ?
W9 O33 1.686(12) . ?
W6 O2 2.275(11) . ?
W6 O6 1.937(12) . ?
W6 O23 1.909(12) . ?
W6 O25 1.886(11) . ?
W6 O26 1.703(12) . ?
W6 O27 1.949(12) . ?
W8 O1 2.296(11) . ?
W8 O15 1.903(12) . ?
W8 O18 1.919(12) . ?
W8 O29 1.933(11) . ?
W8 O30 1.736(12) . ?
W8 O31 1.937(11) . ?
W5 O2 2.270(11) . ?
W5 O19 1.929(12) . ?
W5 O21 1.715(12) . ?
W5 O22 1.845(11) . ?
W5 O23 1.975(12) . ?
W5 O24 1.932(12) . ?
W3 O1 2.285(11) . ?
W3 O12 1.930(12) . ?
W3 O13 1.852(11) . ?
W3 O14 1.732(12) . ?
W3 O15 1.958(11) . ?
W3 O16 1.927(12) . ?
Sb1 O1 1.981(11) . ?
Sb1 O2 1.988(11) . ?
Sb1 O3 1.992(11) . ?
N1 C1 1.31(3) . ?
N1 C3 1.40(3) . ?
N2 C1 1.38(3) . ?
N2 C2 1.34(3) . ?
N2 C4 1.450(10) . ?
N3 C7 1.28(3) . ?
N3 C9 1.37(3) . ?
N4 C7 1.36(3) . ?
N4 C8 1.36(3) . ?
N4 C10 1.446(10) . ?
N5 C13 1.28(3) . ?
N5 C15 1.35(3) . ?
N6 C13 1.29(3) . ?
N6 C14 1.29(3) . ?
N6 C16 1.55(3) . ?
N7 C19 1.36(3) . ?
N7 C21 1.39(3) . ?
N8 C19 1.38(3) . ?
N8 C20 1.37(3) . ?
N8 C22 1.45(3) . ?
N9 C25 1.32(3) . ?
N9 C27 1.42(3) . ?
N10 C25 1.39(3) . ?
N10 C26 1.30(3) . ?
N10 C28 1.52(3) . ?
N11 C31 1.27(3) . ?
N11 C33 1.39(3) . ?
N12 C31 1.35(3) . ?
N12 C32 1.32(3) . ?
N12 C34 1.59(3) . ?
N13 C37 1.24(4) . ?
N13 C39 1.25(5) . ?
N13 C40 1.50(5) . ?
N14 H14 0.8600 . ?
N14 C37 1.34(4) . ?
N14 C38 1.41(4) . ?
C1 H1 0.9300 . ?
C2 H2 0.9300 . ?
C2 C3 1.32(4) . ?
C3 H3 0.9300 . ?
C4 H4 0.9800 . ?
C4 C5 1.505(10) . ?
C4 C6 1.509(10) . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 H7 0.9300 . ?
C8 H8 0.9300 . ?
C8 C9 1.40(3) . ?
C9 H9 0.9300 . ?
C10 H10 0.9800 . ?
C10 C11 1.509(10) . ?
C10 C12 1.517(10) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 H13 0.9300 . ?
C14 H14A 0.9300 . ?
C14 C15 1.34(3) . ?
C15 H15 0.9300 . ?
C16 H16 0.9800 . ?
C16 C17 1.524(10) . ?
C16 C18 1.523(10) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19 0.9300 . ?
C20 H20 0.9300 . ?
C20 C21 1.37(3) . ?
C21 H21 0.9300 . ?
C22 H22 0.9800 . ?
C22 C23 1.49(4) . ?
C22 C24 1.47(3) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
C26 C27 1.29(3) . ?
C27 H27 0.9300 . ?
C28 H28 0.9800 . ?
C28 C29 1.47(4) . ?
C28 C30 1.40(4) . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 H31 0.9300 . ?
C32 H32 0.9300 . ?
C32 C33 1.36(3) . ?
C33 H33 0.9300 . ?
C34 H34 0.9800 . ?
C34 C35 1.518(10) . ?
C34 C36 1.521(10) . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C37 H37 0.9300 . ?
C38 H38 0.9300 . ?
C38 C39 1.47(5) . ?
C39 H39 0.9300 . ?
C40 H40 0.9800 . ?
C40 C41 1.49(5) . ?
C40 C42 1.44(4) . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?

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
N1 Zn1 O11 99.4(8) . . ?
N1 Zn1 O13 106.6(8) . . ?
N1 Zn1 O22 105.1(8) . 5_765 ?
N1 Zn1 O25 117.1(8) . 5_765 ?
O11 Zn1 O13 90.8(5) . . ?
O11 Zn1 O22 80.0(4) . 5_765 ?
O11 Zn1 O25 143.5(4) . 5_765 ?
O13 Zn1 O22 148.0(5) . 5_765 ?
O13 Zn1 O25 78.9(4) . 5_765 ?
O25 Zn1 O22 90.4(5) 5_765 5_765 ?
N3 Zn2 O8 106.4(6) . 5_765 ?
N3 Zn2 O13 110.7(6) . . ?
N3 Zn2 O20 111.7(7) . . ?
N3 Zn2 O25 106.3(7) . 5_765 ?
O8 Zn2 O13 142.9(4) 5_765 . ?
O8 Zn2 O20 77.6(5) 5_765 . ?
O13 Zn2 O20 89.7(5) . . ?
O25 Zn2 O8 89.2(4) 5_765 5_765 ?
O25 Zn2 O13 79.5(4) 5_765 . ?
O25 Zn2 O20 141.8(5) 5_765 . ?
N5 Zn3 O8 114.6(8) . 5_765 ?
N5 Zn3 O11 108.2(8) . 5_765 ?
N5 Zn3 O20 107.6(8) . . ?
N5 Zn3 O22 100.6(9) . . ?
O8 Zn3 O11 88.4(4) 5_765 5_765 ?
O8 Zn3 O20 78.5(4) 5_765 . ?
O8 Zn3 O22 144.8(5) 5_765 . ?
O20 Zn3 O11 144.2(5) . 5_765 ?
O22 Zn3 O11 80.1(4) . 5_765 ?
O22 Zn3 O20 91.6(5) . . ?
N7 Zn4 N9 111.8(9) . . ?
N7 Zn4 N11 112.8(9) . . ?
N7 Zn4 O5 91.4(6) . . ?
N7 Zn4 O30 92.2(7) . 3_644 ?
N9 Zn4 N11 135.4(10) . . ?
N9 Zn4 O5 90.2(7) . . ?
N9 Zn4 O30 88.3(7) . 3_644 ?
N11 Zn4 O5 88.4(7) . . ?
N11 Zn4 O30 90.4(7) . 3_644 ?
O5 Zn4 O30 176.4(4) . 3_644 ?
O4 W1 O3 73.8(4) . . ?
O5 W1 O3 167.4(5) . . ?
O5 W1 O4 95.5(5) . . ?
O5 W1 O6 101.0(5) . . ?
O5 W1 O7 98.0(5) . . ?
O5 W1 O8 102.8(5) . . ?
O6 W1 O3 85.7(4) . . ?
O6 W1 O4 89.1(5) . . ?
O6 W1 O7 160.4(5) . . ?
O7 W1 O3 74.8(4) . . ?
O7 W1 O4 84.5(5) . . ?
O8 W1 O3 87.6(4) . . ?
O8 W1 O4 161.4(5) . . ?
O8 W1 O6 90.7(5) . . ?
O8 W1 O7 89.6(5) . . ?
O7 W2 O3 73.4(4) . . ?
O9 W2 O3 72.0(4) . . ?
O9 W2 O7 84.9(5) . . ?
O10 W2 O3 168.0(5) . . ?
O10 W2 O7 96.9(6) . . ?
O10 W2 O9 100.6(5) . . ?
O10 W2 O11 103.8(5) . . ?
O10 W2 O12 102.0(6) . . ?
O11 W2 O3 83.4(4) . . ?
O11 W2 O7 88.9(5) . . ?
O11 W2 O9 155.4(5) . . ?
O11 W2 O12 90.0(5) . . ?
O12 W2 O3 87.4(4) . . ?
O12 W2 O7 160.7(5) . . ?
O12 W2 O9 88.1(5) . . ?
O24 W7 O2 72.2(4) . . ?
O24 W7 O27 90.5(5) . . ?
O24 W7 O29 83.5(5) . . ?
O24 W7 O32 157.3(5) . . ?
O27 W7 O2 73.0(4) . . ?
O27 W7 O29 157.1(5) . . ?
O27 W7 O32 81.1(5) . . ?
O28 W7 O2 170.5(5) . . ?
O28 W7 O24 100.2(6) . . ?
O28 W7 O27 101.9(6) . . ?
O28 W7 O29 100.9(6) . . ?
O28 W7 O32 102.2(6) . . ?
O29 W7 O2 84.1(4) . . ?
O32 W7 O2 85.1(4) . . ?
O32 W7 O29 96.2(5) . . ?
O16 W4 O1 73.4(4) . . ?
O17 W4 O1 167.5(5) . . ?
O17 W4 O16 99.4(6) . . ?
O17 W4 O18 96.7(5) . . ?
O17 W4 O19 100.5(6) . . ?
O17 W4 O20 105.1(6) . . ?
O18 W4 O1 72.8(5) . . ?
O18 W4 O16 84.5(5) . . ?
O19 W4 O1 86.3(5) . . ?
O19 W4 O16 159.7(5) . . ?
O19 W4 O18 89.8(5) . . ?
O20 W4 O1 85.2(5) . . ?
O20 W4 O16 88.4(5) . . ?
O20 W4 O18 157.9(5) . . ?
O20 W4 O19 89.7(5) . . ?
O4 W9 O3 74.1(4) . . ?
O4 W9 O9 90.5(5) . . ?
O4 W9 O31 157.2(5) . . ?
O4 W9 O32 85.0(5) . . ?
O9 W9 O3 71.9(4) . . ?
O9 W9 O31 80.5(5) . . ?
O9 W9 O32 156.5(5) . . ?
O31 W9 O3 83.2(4) . . ?
O31 W9 O32 94.9(5) . . ?
O32 W9 O3 84.7(4) . . ?
O33 W9 O3 170.1(5) . . ?
O33 W9 O4 100.7(5) . . ?
O33 W9 O9 100.1(5) . . ?
O33 W9 O31 101.5(5) . . ?
O33 W9 O32 103.3(5) . . ?
O6 W6 O2 86.5(4) . . ?
O6 W6 O27 88.4(5) . . ?
O23 W6 O2 74.4(5) . . ?
O23 W6 O6 160.9(5) . . ?
O23 W6 O27 86.9(5) . . ?
O25 W6 O2 85.4(4) . . ?
O25 W6 O6 87.1(5) . . ?
O25 W6 O23 90.4(5) . . ?
O25 W6 O27 158.3(5) . . ?
O26 W6 O2 168.8(5) . . ?
O26 W6 O6 100.3(6) . . ?
O26 W6 O23 98.7(6) . . ?
O26 W6 O25 103.7(6) . . ?
O26 W6 O27 98.1(5) . . ?
O27 W6 O2 73.1(4) . . ?
O15 W8 O1 73.7(4) . . ?
O15 W8 O18 89.7(5) . . ?
O15 W8 O29 158.6(5) . . ?
O15 W8 O31 84.5(5) . . ?
O18 W8 O1 73.6(5) . . ?
O18 W8 O29 82.4(5) . . ?
O18 W8 O31 157.8(5) . . ?
O29 W8 O1 85.0(4) . . ?
O29 W8 O31 95.3(5) . . ?
O30 W8 O1 169.4(5) . . ?
O30 W8 O15 99.5(5) . . ?
O30 W8 O18 98.5(5) . . ?
O30 W8 O29 101.2(5) . . ?
O30 W8 O31 103.5(5) . . ?
O31 W8 O1 84.2(4) . . ?
O19 W5 O2 86.7(5) . . ?
O19 W5 O23 160.0(5) . . ?
O19 W5 O24 89.8(5) . . ?
O21 W5 O2 168.7(5) . . ?
O21 W5 O19 101.4(6) . . ?
O21 W5 O22 103.1(6) . . ?
O21 W5 O23 98.5(5) . . ?
O21 W5 O24 99.4(6) . . ?
O22 W5 O2 84.7(5) . . ?
O22 W5 O19 88.9(5) . . ?
O22 W5 O23 88.2(5) . . ?
O22 W5 O24 157.3(5) . . ?
O23 W5 O2 73.4(4) . . ?
O24 W5 O2 72.6(4) . . ?
O24 W5 O23 85.3(5) . . ?
O12 W3 O1 84.9(4) . . ?
O12 W3 O15 88.1(5) . . ?
O13 W3 O1 85.5(5) . . ?
O13 W3 O12 88.7(5) . . ?
O13 W3 O15 158.5(5) . . ?
O13 W3 O16 90.4(5) . . ?
O14 W3 O1 168.1(5) . . ?
O14 W3 O12 101.7(6) . . ?
O14 W3 O13 104.4(6) . . ?
O14 W3 O15 97.1(5) . . ?
O14 W3 O16 98.4(6) . . ?
O15 W3 O1 73.0(4) . . ?
O16 W3 O1 74.6(5) . . ?
O16 W3 O12 159.4(5) . . ?
O16 W3 O15 85.3(5) . . ?
O1 Sb1 O2 90.4(5) . . ?
O1 Sb1 O3 90.6(5) . . ?
O2 Sb1 O3 89.4(4) . . ?
C1 N1 Zn1 124(2) . . ?
C1 N1 C3 101(2) . . ?
C3 N1 Zn1 134(2) . . ?
C1 N2 C4 111(2) . . ?
C2 N2 C1 106(2) . . ?
C2 N2 C4 143(2) . . ?
C7 N3 Zn2 129.1(17) . . ?
C7 N3 C9 103.3(19) . . ?
C9 N3 Zn2 127.5(15) . . ?
C7 N4 C10 133.7(18) . . ?
C8 N4 C7 107.9(17) . . ?
C8 N4 C10 118.4(18) . . ?
C13 N5 Zn3 127(2) . . ?
C13 N5 C15 102(2) . . ?
C15 N5 Zn3 129.6(19) . . ?
C13 N6 C14 106(3) . . ?
C13 N6 C16 119(3) . . ?
C14 N6 C16 134(2) . . ?
C19 N7 Zn4 124.9(16) . . ?
C19 N7 C21 105(2) . . ?
C21 N7 Zn4 130.1(17) . . ?
C19 N8 C22 127(2) . . ?
C20 N8 C19 107(2) . . ?
C20 N8 C22 126(2) . . ?
C25 N9 Zn4 126.5(19) . . ?
C25 N9 C27 104(2) . . ?
C27 N9 Zn4 128.9(17) . . ?
C25 N10 C28 118(2) . . ?
C26 N10 C25 105(2) . . ?
C26 N10 C28 135(2) . . ?
C31 N11 Zn4 126(2) . . ?
C31 N11 C33 105(2) . . ?
C33 N11 Zn4 128.5(18) . . ?
C31 N12 C34 124(2) . . ?
C32 N12 C31 105(2) . . ?
C32 N12 C34 125(2) . . ?
C37 N13 C39 118(5) . . ?
C37 N13 C40 119(4) . . ?
C39 N13 C40 123(4) . . ?
C37 N14 H14 123.7 . . ?
C37 N14 C38 113(4) . . ?
C38 N14 H14 123.7 . . ?
W8 O1 W4 93.3(4) . . ?
W3 O1 W4 93.1(4) . . ?
W3 O1 W8 93.5(4) . . ?
Sb1 O1 W4 114.0(5) . . ?
Sb1 O1 W8 137.6(6) . . ?
Sb1 O1 W3 115.4(5) . . ?
W6 O2 W7 93.6(4) . . ?
W5 O2 W7 93.8(4) . . ?
W5 O2 W6 94.0(4) . . ?
Sb1 O2 W7 138.2(6) . . ?
Sb1 O2 W6 113.9(5) . . ?
Sb1 O2 W5 113.8(5) . . ?
W1 O3 W2 93.8(4) . . ?
W1 O3 W9 93.5(4) . . ?
W2 O3 W9 93.8(4) . . ?
Sb1 O3 W1 115.4(5) . . ?
Sb1 O3 W2 112.6(5) . . ?
Sb1 O3 W9 138.1(6) . . ?
W9 O4 W1 118.7(6) . . ?
W1 O5 Zn4 168.3(7) . . ?
W1 O6 W6 152.3(7) . . ?
W1 O7 W2 117.3(6) . . ?
Zn3 O8 Zn2 101.6(5) 5_765 5_765 ?
W1 O8 Zn2 130.9(6) . 5_765 ?
W1 O8 Zn3 126.4(6) . 5_765 ?
W9 O9 W2 122.2(6) . . ?
Zn1 O11 Zn3 98.8(5) . 5_765 ?
W2 O11 Zn1 131.5(6) . . ?
W2 O11 Zn3 126.3(6) . 5_765 ?
W2 O12 W3 152.7(6) . . ?
Zn1 O13 Zn2 99.2(5) . . ?
W3 O13 Zn1 134.2(6) . . ?
W3 O13 Zn2 125.5(6) . . ?
W8 O15 W3 119.7(6) . . ?
W3 O16 W4 118.4(6) . . ?
W8 O18 W4 120.3(6) . . ?
W4 O19 W5 153.7(7) . . ?
Zn3 O20 Zn2 100.0(5) . . ?
W4 O20 Zn2 127.4(6) . . ?
W4 O20 Zn3 131.7(6) . . ?
Zn3 O22 Zn1 99.6(5) . 5_765 ?
W5 O22 Zn1 126.3(6) . 5_765 ?
W5 O22 Zn3 132.2(6) . . ?
W6 O23 W5 117.8(6) . . ?
W7 O24 W5 121.4(6) . . ?
Zn2 O25 Zn1 100.8(5) 5_765 5_765 ?
W6 O25 Zn1 123.4(6) . 5_765 ?
W6 O25 Zn2 132.8(6) . 5_765 ?
W7 O27 W6 120.2(6) . . ?
W8 O29 W7 143.5(6) . . ?
W8 O30 Zn4 164.8(7) . 4_565 ?
W8 O31 W9 145.1(6) . . ?
W7 O32 W9 143.0(6) . . ?
N1 C1 N2 113(3) . . ?
N1 C1 H1 123.3 . . ?
N2 C1 H1 123.3 . . ?
N2 C2 H2 126.9 . . ?
C3 C2 N2 106(3) . . ?
C3 C2 H2 126.9 . . ?
N1 C3 H3 123.4 . . ?
C2 C3 N1 113(3) . . ?
C2 C3 H3 123.4 . . ?
N2 C4 H4 104.9 . . ?
N2 C4 C5 111.4(14) . . ?
N2 C4 C6 110.2(13) . . ?
C5 C4 H4 104.9 . . ?
C5 C4 C6 119.2(15) . . ?
C6 C4 H4 104.9 . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.4 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
N3 C7 N4 114(2) . . ?
N3 C7 H7 123.0 . . ?
N4 C7 H7 123.0 . . ?
N4 C8 H8 128.7 . . ?
N4 C8 C9 103(2) . . ?
C9 C8 H8 128.7 . . ?
N3 C9 C8 112(2) . . ?
N3 C9 H9 123.9 . . ?
C8 C9 H9 123.9 . . ?
N4 C10 H10 107.3 . . ?
N4 C10 C11 109.5(12) . . ?
N4 C10 C12 109.5(12) . . ?
C11 C10 H10 107.3 . . ?
C11 C10 C12 115.5(14) . . ?
C12 C10 H10 107.3 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N5 C13 N6 115(3) . . ?
N5 C13 H13 122.4 . . ?
N6 C13 H13 122.4 . . ?
N6 C14 H14A 126.3 . . ?
N6 C14 C15 107(3) . . ?
C15 C14 H14A 126.3 . . ?
N5 C15 H15 125.7 . . ?
C14 C15 N5 109(3) . . ?
C14 C15 H15 125.7 . . ?
N6 C16 H16 113.2 . . ?
C17 C16 N6 118(2) . . ?
C17 C16 H16 113.2 . . ?
C18 C16 N6 97(2) . . ?
C18 C16 H16 113.2 . . ?
C18 C16 C17 100(2) . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.4 . . ?
C16 C18 H18B 109.6 . . ?
C16 C18 H18C 109.4 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
N7 C19 N8 110(2) . . ?
N7 C19 H19 124.8 . . ?
N8 C19 H19 124.8 . . ?
N8 C20 H20 126.4 . . ?
C21 C20 N8 107(2) . . ?
C21 C20 H20 126.4 . . ?
N7 C21 H21 125.0 . . ?
C20 C21 N7 110(2) . . ?
C20 C21 H21 125.0 . . ?
N8 C22 H22 108.6 . . ?
N8 C22 C23 104(2) . . ?
N8 C22 C24 108(2) . . ?
C23 C22 H22 108.6 . . ?
C24 C22 H22 108.6 . . ?
C24 C22 C23 119(2) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N9 C25 N10 110(2) . . ?
N9 C25 H25 124.9 . . ?
N10 C25 H25 124.9 . . ?
N10 C26 H26 123.9 . . ?
C27 C26 N10 112(3) . . ?
C27 C26 H26 123.9 . . ?
N9 C27 H27 126.0 . . ?
C26 C27 N9 108(2) . . ?
C26 C27 H27 126.0 . . ?
N10 C28 H28 111.6 . . ?
C29 C28 N10 110(2) . . ?
C29 C28 H28 111.7 . . ?
C30 C28 N10 106(3) . . ?
C30 C28 H28 111.6 . . ?
C30 C28 C29 106(3) . . ?
C28 C29 H29A 109.4 . . ?
C28 C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.4 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
N11 C31 N12 114(3) . . ?
N11 C31 H31 123.0 . . ?
N12 C31 H31 123.0 . . ?
N12 C32 H32 125.6 . . ?
N12 C32 C33 109(3) . . ?
C33 C32 H32 125.6 . . ?
N11 C33 H33 126.4 . . ?
C32 C33 N11 107(2) . . ?
C32 C33 H33 126.4 . . ?
N12 C34 H34 109.8 . . ?
C35 C34 N12 116(2) . . ?
C35 C34 H34 109.8 . . ?
C35 C34 C36 120(3) . . ?
C36 C34 N12 90(2) . . ?
C36 C34 H34 109.8 . . ?
C34 C35 H35A 109.4 . . ?
C34 C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C34 C36 H36A 109.4 . . ?
C34 C36 H36B 109.5 . . ?
C34 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
N13 C37 N14 105(5) . . ?
N13 C37 H37 127.7 . . ?
N14 C37 H37 127.7 . . ?
N14 C38 H38 131.2 . . ?
N14 C38 C39 98(4) . . ?
C39 C38 H38 131.2 . . ?
N13 C39 C38 107(4) . . ?
N13 C39 H39 126.3 . . ?
C38 C39 H39 126.3 . . ?
N13 C40 H40 101.8 . . ?
C41 C40 N13 120(3) . . ?
C41 C40 H40 101.8 . . ?
C42 C40 N13 112(3) . . ?
C42 C40 H40 101.8 . . ?
C42 C40 C41 116(4) . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C40 C42 H42A 109.5 . . ?
C40 C42 H42B 109.5 . . ?
C40 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
N14 H14 O9 0.86 2.35 2.96(3) 128.0 2_655 yes
N14 H14 O9 0.86 2.35 2.96(3) 128.0 2_655 yes
N14 H14 O9 0.86 2.35 2.96(3) 128.0 2_655 yes
N14 H14 O9 0.86 2.35 2.96(3) 128.0 2_655 yes
N14 H14 O12 0.86 2.16 2.97(3) 157.0 2_655 yes
N14 H14 O12 0.86 2.16 2.97(3) 157.0 2_655 yes
N14 H14 O12 0.86 2.16 2.97(3) 157.0 2_655 yes
N14 H14 O12 0.86 2.16 2.97(3) 157.0 2_655 yes
N14 H14 O31 0.86 2.49 2.98(3) 116.8 2_655 yes
N14 H14 O31 0.86 2.49 2.98(3) 116.8 2_655 yes
N14 H14 O31 0.86 2.49 2.98(3) 116.8 2_655 yes
N14 H14 O31 0.86 2.49 2.98(3) 116.8 2_655 yes
C1 H1 O21 0.93 2.46 3.33(4) 155.9 5_765 yes
C1 H1 O21 0.93 2.46 3.33(4) 155.9 5_765 yes
C1 H1 O21 0.93 2.46 3.33(4) 155.9 5_765 yes
C1 H1 O21 0.93 2.46 3.33(4) 155.9 5_765 yes
C3 H3 O14 0.93 2.46 3.26(3) 144.1 . yes
C3 H3 O14 0.93 2.46 3.26(3) 144.1 . yes
C3 H3 O14 0.93 2.46 3.26(3) 144.1 . yes
C3 H3 O14 0.93 2.46 3.26(3) 144.1 . yes
C7 H7 O16 0.93 2.22 2.98(3) 138.8 . yes
C7 H7 O16 0.93 2.22 2.98(3) 138.8 . yes
C7 H7 O16 0.93 2.22 2.98(3) 138.8 . yes
C7 H7 O16 0.93 2.22 2.98(3) 138.8 . yes
C9 H9 O6 0.93 2.56 3.33(2) 141.0 5_765 yes
C9 H9 O6 0.93 2.56 3.33(2) 141.0 5_765 yes
C9 H9 O6 0.93 2.56 3.33(2) 141.0 5_765 yes
C9 H9 O6 0.93 2.56 3.33(2) 141.0 5_765 yes
C13 H13 O17 0.93 2.65 3.37(3) 135.2 . yes
C13 H13 O17 0.93 2.65 3.37(3) 135.2 . yes
C13 H13 O17 0.93 2.65 3.37(3) 135.2 . yes
C13 H13 O17 0.93 2.65 3.37(3) 135.2 . yes
C13 H13 O19 0.93 2.54 3.30(3) 139.2 . yes
C13 H13 O19 0.93 2.54 3.30(3) 139.2 . yes
C13 H13 O19 0.93 2.54 3.30(3) 139.2 . yes
C13 H13 O19 0.93 2.54 3.30(3) 139.2 . yes
C15 H15 O7 0.93 2.34 3.01(3) 128.1 5_765 yes
C15 H15 O7 0.93 2.34 3.01(3) 128.1 5_765 yes
C15 H15 O7 0.93 2.34 3.01(3) 128.1 5_765 yes
C15 H15 O7 0.93 2.34 3.01(3) 128.1 5_765 yes
C19 H19 O5 0.93 2.46 2.98(3) 115.5 . yes
C19 H19 O5 0.93 2.46 2.98(3) 115.5 . yes
C19 H19 O5 0.93 2.46 2.98(3) 115.5 . yes
C19 H19 O5 0.93 2.46 2.98(3) 115.5 . yes
C19 H19 O7 0.93 2.56 3.45(3) 161.1 . yes
C19 H19 O7 0.93 2.56 3.45(3) 161.1 . yes
C19 H19 O7 0.93 2.56 3.45(3) 161.1 . yes
C19 H19 O7 0.93 2.56 3.45(3) 161.1 . yes
C20 H20 O23 0.93 2.57 3.28(3) 133.3 3_645 yes
C20 H20 O23 0.93 2.57 3.28(3) 133.3 3_645 yes
C20 H20 O23 0.93 2.57 3.28(3) 133.3 3_645 yes
C20 H20 O23 0.93 2.57 3.28(3) 133.3 3_645 yes
C22 H22 O23 0.98 2.21 3.15(3) 160.0 3_645 yes
C22 H22 O23 0.98 2.21 3.15(3) 160.0 3_645 yes
C22 H22 O23 0.98 2.21 3.15(3) 160.0 3_645 yes
C22 H22 O23 0.98 2.21 3.15(3) 160.0 3_645 yes
C25 H25 O18 0.93 2.20 3.05(3) 152.0 3_644 yes
C25 H25 O18 0.93 2.20 3.05(3) 152.0 3_644 yes
C25 H25 O18 0.93 2.20 3.05(3) 152.0 3_644 yes
C25 H25 O18 0.93 2.20 3.05(3) 152.0 3_644 yes
C25 H25 O30 0.93 2.47 2.97(3) 113.5 3_644 yes
C25 H25 O30 0.93 2.47 2.97(3) 113.5 3_644 yes
C25 H25 O30 0.93 2.47 2.97(3) 113.5 3_644 yes
C25 H25 O30 0.93 2.47 2.97(3) 113.5 3_644 yes
C26 H26 O17 0.93 2.38 3.18(3) 143.8 5_765 yes
C26 H26 O17 0.93 2.38 3.18(3) 143.8 5_765 yes
C26 H26 O17 0.93 2.38 3.18(3) 143.8 5_765 yes
C26 H26 O17 0.93 2.38 3.18(3) 143.8 5_765 yes
C31 H31 O4 0.93 2.66 3.55(3) 159.5 . yes
C31 H31 O4 0.93 2.66 3.55(3) 159.5 . yes
C31 H31 O4 0.93 2.66 3.55(3) 159.5 . yes
C31 H31 O4 0.93 2.66 3.55(3) 159.5 . yes
C31 H31 O5 0.93 2.49 2.99(3) 114.5 . yes
C31 H31 O5 0.93 2.49 2.99(3) 114.5 . yes
C31 H31 O5 0.93 2.49 2.99(3) 114.5 . yes
C31 H31 O5 0.93 2.49 2.99(3) 114.5 . yes
C31 H31 O6 0.93 2.62 3.37(3) 138.1 . yes
C31 H31 O6 0.93 2.62 3.37(3) 138.1 . yes
C31 H31 O6 0.93 2.62 3.37(3) 138.1 . yes
C31 H31 O6 0.93 2.62 3.37(3) 138.1 . yes
C35 H35C O32 0.96 2.40 3.18(3) 137.7 . yes
C35 H35C O32 0.96 2.40 3.18(3) 137.7 . yes
C35 H35C O32 0.96 2.40 3.18(3) 137.7 . yes
C35 H35C O32 0.96 2.40 3.18(3) 137.7 . yes
C38 H38 O14 0.93 2.64 3.54(5) 162.8 6_556 yes
C38 H38 O14 0.93 2.64 3.54(5) 162.8 6_556 yes
C38 H38 O14 0.93 2.64 3.54(5) 162.8 6_556 yes
C38 H38 O14 0.93 2.64 3.54(5) 162.8 6_556 yes
C39 H39 O26 0.93 2.23 3.11(4) 155.7 2_656 yes
C39 H39 O26 0.93 2.23 3.11(4) 155.7 2_656 yes
C39 H39 O26 0.93 2.23 3.11(4) 155.7 2_656 yes
C39 H39 O26 0.93 2.23 3.11(4) 155.7 2_656 yes
C42 H42A O28 0.96 2.43 3.22(4) 139.2 4_565 yes
C42 H42A O28 0.96 2.43 3.22(4) 139.2 4_565 yes
C42 H42A O28 0.96 2.43 3.22(4) 139.2 4_565 yes
C42 H42A O28 0.96 2.43 3.22(4) 139.2 4_565 yes

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
Zn1 N1 C1 N2 166.6(19) . . . . ?
Zn1 N1 C3 C2 -161(2) . . . . ?
Zn2 N3 C7 N4 176.8(16) . . . . ?
Zn2 N3 C9 C8 -176.8(17) . . . . ?
Zn3 N5 C13 N6 170(2) . . . . ?
Zn3 N5 C15 C14 -175(2) . . . . ?
Zn4 N7 C19 N8 -178.5(17) . . . . ?
Zn4 N7 C21 C20 177.1(19) . . . . ?
Zn4 N9 C25 N10 175.3(18) . . . . ?
Zn4 N9 C27 C26 -172(2) . . . . ?
Zn4 N11 C31 N12 170(2) . . . . ?
Zn4 N11 C33 C32 -168(2) . . . . ?
N2 C2 C3 N1 -7(4) . . . . ?
N4 C8 C9 N3 0(3) . . . . ?
N6 C14 C15 N5 6(4) . . . . ?
N8 C20 C21 N7 4(3) . . . . ?
N10 C26 C27 N9 -3(4) . . . . ?
N12 C32 C33 N11 -6(4) . . . . ?
N14 C38 C39 N13 -2(4) . . . . ?
O1 W4 O19 W5 52.7(16) . . . . ?
O1 W4 O20 Zn2 79.1(8) . . . . ?
O1 W4 O20 Zn3 -114.3(9) . . . . ?
O1 W8 O30 Zn4 -118(3) . . . 4_565 ?
O1 W3 O13 Zn1 113.1(9) . . . . ?
O1 W3 O13 Zn2 -81.5(7) . . . . ?
O2 W6 O25 Zn1 80.6(7) . . . 5_765 ?
O2 W6 O25 Zn2 -123.1(8) . . . 5_765 ?
O2 W5 O22 Zn1 -79.9(7) . . . 5_765 ?
O2 W5 O22 Zn3 119.1(9) . . . . ?
O3 W1 O5 Zn4 -46(5) . . . . ?
O3 W1 O6 W6 -55.2(14) . . . . ?
O3 W1 O8 Zn2 115.2(7) . . . 5_765 ?
O3 W1 O8 Zn3 -79.0(7) . . . 5_765 ?
O3 W2 O11 Zn1 -121.5(8) . . . . ?
O3 W2 O11 Zn3 83.8(7) . . . 5_765 ?
O3 W9 O4 W1 -0.1(6) . . . . ?
O4 W1 O5 Zn4 -15(3) . . . . ?
O4 W1 O6 W6 -129.1(15) . . . . ?
O4 W1 O8 Zn2 118.6(14) . . . 5_765 ?
O4 W1 O8 Zn3 -75.6(17) . . . 5_765 ?
O5 W1 O6 W6 135.5(14) . . . . ?
O5 W1 O8 Zn2 -71.9(8) . . . 5_765 ?
O5 W1 O8 Zn3 93.9(7) . . . 5_765 ?
O6 W1 O5 Zn4 75(3) . . . . ?
O6 W1 O8 Zn2 29.6(8) . . . 5_765 ?
O6 W1 O8 Zn3 -164.7(7) . . . 5_765 ?
O6 W6 O25 Zn1 167.4(7) . . . 5_765 ?
O6 W6 O25 Zn2 -36.4(8) . . . 5_765 ?
O7 W1 O5 Zn4 -100(3) . . . . ?
O7 W1 O6 W6 -58(2) . . . . ?
O7 W1 O8 Zn2 -170.0(8) . . . 5_765 ?
O7 W1 O8 Zn3 -4.2(7) . . . 5_765 ?
O7 W2 O11 Zn1 165.1(8) . . . . ?
O7 W2 O11 Zn3 10.4(7) . . . 5_765 ?
O8 W1 O5 Zn4 168(3) . . . . ?
O8 W1 O6 W6 32.3(15) . . . . ?
O9 W2 O11 Zn1 -119.7(11) . . . . ?
O9 W2 O11 Zn3 85.7(13) . . . 5_765 ?
O9 W9 O4 W1 70.9(7) . . . . ?
O10 W2 O11 Zn1 68.2(9) . . . . ?
O10 W2 O11 Zn3 -86.4(8) . . . 5_765 ?
O12 W2 O11 Zn1 -34.2(8) . . . . ?
O12 W2 O11 Zn3 171.2(7) . . . 5_765 ?
O12 W3 O13 Zn1 28.1(9) . . . . ?
O12 W3 O13 Zn2 -166.5(8) . . . . ?
O14 W3 O13 Zn1 -73.6(10) . . . . ?
O14 W3 O13 Zn2 91.8(8) . . . . ?
O15 W8 O30 Zn4 -167(3) . . . 4_565 ?
O15 W3 O13 Zn1 109.7(14) . . . . ?
O15 W3 O13 Zn2 -84.9(15) . . . . ?
O16 W4 O19 W5 52(2) . . . . ?
O16 W4 O20 Zn2 5.6(8) . . . . ?
O16 W4 O20 Zn3 172.2(9) . . . . ?
O16 W3 O13 Zn1 -172.4(9) . . . . ?
O16 W3 O13 Zn2 -7.0(8) . . . . ?
O17 W4 O19 W5 -137.8(16) . . . . ?
O17 W4 O20 Zn2 -93.7(9) . . . . ?
O17 W4 O20 Zn3 72.9(10) . . . . ?
O18 W4 O19 W5 125.4(16) . . . . ?
O18 W4 O20 Zn2 76.8(16) . . . . ?
O18 W4 O20 Zn3 -116.6(13) . . . . ?
O18 W8 O30 Zn4 -76(3) . . . 4_565 ?
O19 W4 O20 Zn2 165.5(8) . . . . ?
O19 W4 O20 Zn3 -27.9(9) . . . . ?
O19 W5 O22 Zn1 -166.7(8) . . . 5_765 ?
O19 W5 O22 Zn3 32.3(9) . . . . ?
O20 W4 O19 W5 -32.5(16) . . . . ?
O21 W5 O22 Zn1 91.8(8) . . . 5_765 ?
O21 W5 O22 Zn3 -69.2(9) . . . . ?
O23 W6 O25 Zn1 6.3(7) . . . 5_765 ?
O23 W6 O25 Zn2 162.5(8) . . . 5_765 ?
O23 W5 O22 Zn1 -6.5(8) . . . 5_765 ?
O23 W5 O22 Zn3 -167.5(9) . . . . ?
O24 W5 O22 Zn1 -80.0(15) . . . 5_765 ?
O24 W5 O22 Zn3 119.1(13) . . . . ?
O26 W6 O25 Zn1 -92.7(8) . . . 5_765 ?
O26 W6 O25 Zn2 63.5(9) . . . 5_765 ?
O27 W6 O25 Zn1 88.9(14) . . . 5_765 ?
O27 W6 O25 Zn2 -114.8(13) . . . 5_765 ?
O29 W8 O30 Zn4 8(3) . . . 4_565 ?
O31 W9 O4 W1 4.8(17) . . . . ?
O31 W8 O30 Zn4 106(3) . . . 4_565 ?
O32 W9 O4 W1 -86.0(7) . . . . ?
O33 W9 O4 W1 171.3(7) . . . . ?
C1 N1 C3 C2 6(4) . . . . ?
C1 N2 C2 C3 6(4) . . . . ?
C1 N2 C4 C5 -116(3) . . . . ?
C1 N2 C4 C6 109(3) . . . . ?
C2 N2 C1 N1 -2(4) . . . . ?
C2 N2 C4 C5 67(4) . . . . ?
C2 N2 C4 C6 -68(4) . . . . ?
C3 N1 C1 N2 -2(3) . . . . ?
C4 N2 C1 N1 179(2) . . . . ?
C4 N2 C2 C3 -177(3) . . . . ?
C7 N3 C9 C8 0(3) . . . . ?
C7 N4 C8 C9 0(3) . . . . ?
C7 N4 C10 C11 -30(3) . . . . ?
C7 N4 C10 C12 98(3) . . . . ?
C8 N4 C7 N3 0(3) . . . . ?
C8 N4 C10 C11 146(2) . . . . ?
C8 N4 C10 C12 -87(2) . . . . ?
C9 N3 C7 N4 0(3) . . . . ?
C10 N4 C7 N3 176(2) . . . . ?
C10 N4 C8 C9 -176.7(18) . . . . ?
C13 N5 C15 C14 -2(4) . . . . ?
C13 N6 C14 C15 -7(4) . . . . ?
C13 N6 C16 C17 -144(3) . . . . ?
C13 N6 C16 C18 111(3) . . . . ?
C14 N6 C13 N5 6(5) . . . . ?
C14 N6 C16 C17 23(6) . . . . ?
C14 N6 C16 C18 -82(4) . . . . ?
C15 N5 C13 N6 -3(4) . . . . ?
C16 N6 C13 N5 176(3) . . . . ?
C16 N6 C14 C15 -175(3) . . . . ?
C19 N7 C21 C20 -4(3) . . . . ?
C19 N8 C20 C21 -2(3) . . . . ?
C19 N8 C22 C23 67(3) . . . . ?
C19 N8 C22 C24 -60(4) . . . . ?
C20 N8 C19 N7 0(3) . . . . ?
C20 N8 C22 C23 -116(3) . . . . ?
C20 N8 C22 C24 117(3) . . . . ?
C21 N7 C19 N8 2(3) . . . . ?
C22 N8 C19 N7 177(2) . . . . ?
C22 N8 C20 C21 -180(3) . . . . ?
C25 N9 C27 C26 -2(3) . . . . ?
C25 N10 C26 C27 6(4) . . . . ?
C25 N10 C28 C29 126(3) . . . . ?
C25 N10 C28 C30 -120(3) . . . . ?
C26 N10 C25 N9 -7(3) . . . . ?
C26 N10 C28 C29 -35(5) . . . . ?
C26 N10 C28 C30 78(4) . . . . ?
C27 N9 C25 N10 5(3) . . . . ?
C28 N10 C25 N9 -173(2) . . . . ?
C28 N10 C26 C27 169(3) . . . . ?
C31 N11 C33 C32 6(3) . . . . ?
C31 N12 C32 C33 4(4) . . . . ?
C31 N12 C34 C35 1(4) . . . . ?
C31 N12 C34 C36 -123(3) . . . . ?
C32 N12 C31 N11 -1(4) . . . . ?
C32 N12 C34 C35 -146(3) . . . . ?
C32 N12 C34 C36 90(3) . . . . ?
C33 N11 C31 N12 -3(4) . . . . ?
C34 N12 C31 N11 -153(3) . . . . ?
C34 N12 C32 C33 157(3) . . . . ?
C37 N13 C39 C38 3(5) . . . . ?
C37 N13 C40 C41 83(5) . . . . ?
C37 N13 C40 C42 -57(5) . . . . ?
C37 N14 C38 C39 1(4) . . . . ?
C38 N14 C37 N13 1(4) . . . . ?
C39 N13 C37 N14 -2(5) . . . . ?
C39 N13 C40 C41 -89(5) . . . . ?
C39 N13 C40 C42 130(4) . . . . ?
C40 N13 C37 N14 -175(3) . . . . ?
C40 N13 C39 C38 175(3) . . . . ?

_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_170504b
_database_code_depnum_ccdc_archive 'CCDC 2164341'
_audit_update_record             
;
2023-01-03 deposited with the CCDC.	2023-02-01 downloaded from the CCDC.
;
_audit_creation_date             2023-01-03
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2019/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C72 H120 As2 N24 O66 W18 Zn8, 2(C6 H11 N2), 2(H2 O)'
_chemical_formula_sum            'C84 H146 As2 N28 O68 W18 Zn8'
_chemical_formula_weight         6618.38
_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 0.0033 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'
As As 0.0499 2.0058 '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'
W W -0.8490 6.8722 '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'

_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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   14.8816(12)
_cell_length_b                   24.477(2)
_cell_length_c                   20.8035(19)
_cell_angle_alpha                90
_cell_angle_beta                 93.0750(10)
_cell_angle_gamma                90
_cell_volume                     7566.9(11)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    7406
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      28.114
_cell_measurement_theta_min      2.337
_shelx_estimated_absorpt_T_max   0.168
_shelx_estimated_absorpt_T_min   0.141
_exptl_absorpt_coefficient_mu    15.381
_exptl_absorpt_correction_T_max  0.1683
_exptl_absorpt_correction_T_min  0.1405
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.905
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             6056
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.18
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0971
_diffrn_reflns_av_unetI/netI     0.1169
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            36569
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.019
_diffrn_reflns_theta_max         25.019
_diffrn_reflns_theta_min         2.338
_diffrn_ambient_temperature      298(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8739
_reflns_number_total             13245
_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       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL-2019/1 (Sheldrick, 2019)'
_computing_structure_solution    'Bruker SHELXTL'
_refine_diff_density_max         5.067
_refine_diff_density_min         -5.023
_refine_diff_density_rms         0.560
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     944
_refine_ls_number_reflns         13245
_refine_ls_number_restraints     2492
_refine_ls_R_factor_all          0.1125
_refine_ls_R_factor_gt           0.0674
_refine_ls_restrained_S_all      1.003
_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)+(0.0961P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1648
_refine_ls_wR_factor_ref         0.1909
_refine_special_details          ?
_olex2_refinement_description    
;
1. Restrained distances
 C29-C30
 1.46 with sigma of 0.02
 C28-C29
 1.45 with sigma of 0.02
 N13-C41
 2.43 with sigma of 0.02
 C40-C42
 2.54 with sigma of 0.02
 C40-C41 = C41-C42
 1.53 with sigma of 0.01
 N13-C40 = N8-C22
 1.45 with sigma of 0.01
 C10-C11 = C11-C12 = C34-C35 = C35-C36 = C22-C23 = C23-C24
 1.53 with sigma of 0.01
2. Uiso/Uaniso restraints and constraints
Zn4 \\sim N11 \\sim N7 \\sim N9 \\sim O14: within 3.8A with sigma of 0.01 and
sigma for terminal atoms of 0.02 within 3.8A
As1 \\sim N1 \\sim N2 \\sim N3 \\sim N4 \\sim N5 \\sim N6 \\sim N7 \\sim N8
\\sim N9 \\sim N10 \\sim N11 \\sim N12 \\sim N13 \\sim N14 \\sim C1 \\sim C2
\\sim C3 \\sim C4 \\sim C5 \\sim C6 \\sim C7 \\sim C8 \\sim C9 \\sim C10 \\sim
C11 \\sim C12 \\sim C13 \\sim C14 \\sim C15 \\sim C16 \\sim C17 \\sim C18 \\sim
C19 \\sim C20 \\sim C21 \\sim C22 \\sim C23 \\sim C24 \\sim C25 \\sim C26 \\sim
C27 \\sim C28 \\sim C29 \\sim C30 \\sim C31 \\sim C32 \\sim C33 \\sim C34 \\sim
C35 \\sim C36 \\sim C37 \\sim C38 \\sim C39 \\sim C40 \\sim C41 \\sim C42 \\sim
O34: within 3.8A with sigma of 0.01 and sigma for terminal atoms of 0.02 within
3.8A
O1 \\sim O2 \\sim O3 \\sim O4 \\sim O5 \\sim O6 \\sim O7 \\sim O8 \\sim O9
\\sim O10 \\sim O11 \\sim O12 \\sim O13 \\sim O14 \\sim O15 \\sim O16 \\sim O17
\\sim O18 \\sim O19 \\sim O20 \\sim O21 \\sim O22 \\sim O23 \\sim O24 \\sim O25
\\sim O26 \\sim O27 \\sim O28 \\sim O29 \\sim O30 \\sim O31 \\sim O32 \\sim O33
\\sim W1 \\sim W2 \\sim W3 \\sim W4 \\sim W5 \\sim W6 \\sim W7 \\sim W8 \\sim
W9: within 3.8A with sigma of 0.005 and sigma for terminal atoms of 0.01 within
3.8A
Uanis(As1) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(W3) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
3.a Riding coordinates:
 O34(H34C,H34D)
3.b Secondary CH2 refined with riding coordinates:
 C4(H4A,H4B), C5(H5A,H5B), C10(H10A,H10B), C11(H11A,H11B), C16(H16A,H16B),
 C17(H17A,H17B), C22(H22A,H22B), C23(H23A,H23B), C28(H28A,H28B), C29(H29A,H29B),
  C34(H34A,H34B), C35(H35A,H35B), C40(H40A,H40B), C41(H41A,H41B)
3.c Aromatic/amide H refined with riding coordinates:
 N14(H14A), C1(H1), C2(H2), C3(H3), C7(H7), C8(H8), C9(H9), C13(H13), C14(H14),
  C15(H15), C19(H19), C20(H20), C21(H21), C25(H25), C26(H26), C27(H27),
 C31(H31), C32(H32), C33(H33), C37(H37), C38(H38), C39(H39)
3.d Idealised Me refined as rotating group:
 C6(H6A,H6B,H6C), C12(H12A,H12B,H12C), C18(H18A,H18B,H18C), C24(H24A,H24B,
 H24C), C30(H30A,H30B,H30C), C36(H36A,H36B,H36C), C42(H42A,H42B,H42C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_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
W1 W 0.70336(6) 0.27701(4) 0.48235(4) 0.0135(2) Uani 1 1 d . U . . .
W2 W 0.72650(6) 0.39962(4) 0.40752(4) 0.0120(2) Uani 1 1 d . U . . .
W3 W 0.53112(6) 0.33371(3) 0.39439(4) 0.0104(2) Uani 1 1 d . U . . .
W4 W 0.38451(6) 0.32421(3) 0.53390(4) 0.0111(2) Uani 1 1 d . U . . .
W5 W 0.55885(6) 0.26923(4) 0.62223(4) 0.0132(2) Uani 1 1 d . U . . .
W6 W 0.45328(6) 0.38276(4) 0.67256(4) 0.0126(2) Uani 1 1 d . U . . .
W7 W 0.67172(6) 0.45625(4) 0.68894(4) 0.0132(2) Uani 1 1 d . U . . .
W8 W 0.77671(6) 0.34332(4) 0.63695(4) 0.0124(2) Uani 1 1 d . U . . .
W9 W 0.80260(6) 0.46460(4) 0.56256(4) 0.0135(2) Uani 1 1 d . U . . .
Zn1 Zn 0.32228(16) 0.46017(10) 0.55937(11) 0.0122(5) Uani 1 1 d . . . . .
Zn2 Zn 0.35291(16) 0.43077(10) 0.41392(11) 0.0123(5) Uani 1 1 d . . . . .
Zn3 Zn 0.46619(16) 0.52612(10) 0.64430(11) 0.0124(5) Uani 1 1 d . . . . .
Zn4 Zn 0.42985(17) 0.24576(11) 0.25184(12) 0.0177(6) Uani 1 1 d . U . . .
As1 As 0.58142(13) 0.40727(8) 0.53706(9) 0.0071(4) Uani 1 1 d . U . . .
N1 N 0.2121(16) 0.4477(10) 0.6110(12) 0.048(3) Uani 1 1 d . U . . .
N2 N 0.1287(16) 0.4478(11) 0.6940(12) 0.050(3) Uani 1 1 d . U . . .
N3 N 0.2711(16) 0.3817(10) 0.3611(11) 0.046(2) Uani 1 1 d . U . . .
N4 N 0.2062(16) 0.3088(10) 0.3191(11) 0.045(2) Uani 1 1 d . U . . .
N5 N 0.4375(17) 0.5336(11) 0.7375(10) 0.050(4) Uani 1 1 d . U . . .
N6 N 0.4344(18) 0.5151(11) 0.8430(11) 0.057(4) Uani 1 1 d . U . . .
N7 N 0.5526(15) 0.2319(9) 0.2245(10) 0.037(2) Uani 1 1 d . U . . .
N8 N 0.7027(14) 0.2386(10) 0.2198(12) 0.049(3) Uani 1 1 d D U . . .
N9 N 0.3690(15) 0.3102(9) 0.2099(11) 0.040(2) Uani 1 1 d . U . . .
N10 N 0.2886(16) 0.3639(10) 0.1426(12) 0.048(3) Uani 1 1 d . U . . .
N11 N 0.4056(16) 0.1910(10) 0.3227(11) 0.043(2) Uani 1 1 d . U . . .
N12 N 0.4062(18) 0.1490(11) 0.4148(12) 0.054(3) Uani 1 1 d . U . . .
N13 N 0.0236(19) 0.3024(9) 0.5014(13) 0.067(3) Uani 1 1 d D U . . .
N14 N 0.0708(19) 0.3705(12) 0.4526(13) 0.060(2) Uani 1 1 d . U . . .
H14A H 0.106326 0.390948 0.431835 0.071 Uiso 1 1 calc R U . . .
O1 O 0.6262(9) 0.3622(6) 0.4782(6) 0.0128(8) Uani 1 1 d . U . . .
O2 O 0.5220(9) 0.3562(6) 0.5788(6) 0.0127(8) Uani 1 1 d . U . . .
O3 O 0.6795(9) 0.4085(6) 0.5889(6) 0.0134(8) Uani 1 1 d . U . . .
O4 O 0.7604(9) 0.2180(6) 0.4721(7) 0.017(2) Uani 1 1 d . U . . .
O5 O 0.6202(9) 0.2559(6) 0.5447(6) 0.0136(9) Uani 1 1 d . U . . .
O6 O 0.7671(9) 0.3251(6) 0.4296(6) 0.0134(9) Uani 1 1 d . U . . .
O7 O 0.6108(9) 0.2705(6) 0.4181(6) 0.0138(9) Uani 1 1 d . U . . .
O8 O 0.7731(9) 0.3083(6) 0.5534(6) 0.0139(9) Uani 1 1 d . U . . .
O9 O 0.6526(9) 0.4596(6) 0.4093(6) 0.0135(10) Uani 1 1 d . U . . .
O10 O 0.8009(9) 0.4163(6) 0.3499(7) 0.017(2) Uani 1 1 d . U . . .
O11 O 0.7933(9) 0.4255(6) 0.4820(6) 0.0136(10) Uani 1 1 d . U . . .
O12 O 0.6348(9) 0.3617(6) 0.3545(6) 0.0136(9) Uani 1 1 d . U . . .
O13 O 0.4814(9) 0.4026(6) 0.3936(6) 0.0136(10) Uani 1 1 d . U . . .
O14 O 0.4790(9) 0.3025(6) 0.3276(7) 0.0170(12) Uani 1 1 d . U . . .
O15 O 0.4540(9) 0.3099(6) 0.4604(6) 0.0130(9) Uani 1 1 d . U . . .
O16 O 0.3649(9) 0.3944(6) 0.5043(6) 0.0126(10) Uani 1 1 d . U . . .
O17 O 0.2878(9) 0.2902(6) 0.5081(7) 0.014(2) Uani 1 1 d . U . . .
O18 O 0.4485(9) 0.2614(6) 0.5761(6) 0.0136(9) Uani 1 1 d . U . . .
O19 O 0.3588(9) 0.3463(6) 0.6188(6) 0.0127(10) Uani 1 1 d . U . . .
O20 O 0.5700(9) 0.2058(6) 0.6600(7) 0.017(2) Uani 1 1 d . U . . .
O21 O 0.4999(9) 0.3088(6) 0.6870(6) 0.0133(9) Uani 1 1 d . U . . .
O22 O 0.6705(9) 0.3023(6) 0.6526(6) 0.0138(9) Uani 1 1 d . U . . .
O23 O 0.3974(10) 0.3908(6) 0.7425(7) 0.018(2) Uani 1 1 d . U . . .
O24 O 0.4276(9) 0.4463(6) 0.6264(6) 0.0124(10) Uani 1 1 d . U . . .
O25 O 0.5683(9) 0.4117(6) 0.7000(6) 0.0137(10) Uani 1 1 d . U . . .
O26 O 0.5994(9) 0.5068(6) 0.6438(6) 0.0138(10) Uani 1 1 d . U . . .
O27 O 0.6865(9) 0.4850(6) 0.7628(7) 0.016(2) Uani 1 1 d . U . . .
O28 O 0.7474(9) 0.3913(6) 0.7046(6) 0.0138(9) Uani 1 1 d . U . . .
O29 O 0.7746(9) 0.4864(6) 0.6498(6) 0.0139(10) Uani 1 1 d . U . . .
O30 O 0.8595(9) 0.3050(6) 0.6800(6) 0.0136(13) Uani 1 1 d . U . . .
O31 O 0.8521(9) 0.3970(6) 0.6044(6) 0.0141(9) Uani 1 1 d . U . . .
O32 O 0.7173(9) 0.5129(6) 0.5325(6) 0.0137(11) Uani 1 1 d . U . . .
O33 O 0.9016(9) 0.4991(6) 0.5543(7) 0.015(2) Uani 1 1 d . U . . .
O34 O 0.6323(16) 0.1503(9) 0.3747(11) 0.073(4) Uani 1 1 d . U . . .
H34C H 0.678378 0.153479 0.400421 0.087 Uiso 1 1 d R U . . .
H34D H 0.604598 0.180699 0.374451 0.087 Uiso 1 1 d R U . . .
C1 C 0.215(2) 0.4493(13) 0.6734(15) 0.051(3) Uani 1 1 d . U . . .
H1 H 0.267621 0.451134 0.699931 0.061 Uiso 1 1 calc R U . . .
C2 C 0.119(2) 0.4495(13) 0.5905(16) 0.052(3) Uani 1 1 d . U . . .
H2 H 0.096368 0.451939 0.548168 0.063 Uiso 1 1 calc R U . . .
C3 C 0.073(2) 0.4471(13) 0.6408(15) 0.052(3) Uani 1 1 d . U . . .
H3 H 0.010320 0.445261 0.640544 0.063 Uiso 1 1 calc R U . . .
C4 C 0.109(2) 0.4465(14) 0.7648(15) 0.055(3) Uani 1 1 d . U . . .
H4A H 0.054344 0.426073 0.770850 0.066 Uiso 1 1 calc R U . . .
H4B H 0.158137 0.428909 0.789441 0.066 Uiso 1 1 calc R U . . .
C5 C 0.099(2) 0.5034(14) 0.7870(16) 0.060(4) Uani 1 1 d . U . . .
H5A H 0.083551 0.500432 0.831600 0.072 Uiso 1 1 calc R U . . .
H5B H 0.158677 0.518901 0.787688 0.072 Uiso 1 1 calc R U . . .
C6 C 0.039(2) 0.5459(15) 0.7595(17) 0.075(6) Uani 1 1 d . U . . .
H6A H 0.044042 0.546928 0.713615 0.112 Uiso 1 1 calc R U . . .
H6B H 0.057024 0.580698 0.777468 0.112 Uiso 1 1 calc R U . . .
H6C H -0.021548 0.538192 0.769217 0.112 Uiso 1 1 calc R U . . .
C7 C 0.471(2) 0.5059(14) 0.7865(13) 0.056(4) Uani 1 1 d . U . . .
H7 H 0.518266 0.481241 0.782585 0.068 Uiso 1 1 calc R U . . .
C8 C 0.366(2) 0.5600(14) 0.7636(13) 0.056(4) Uani 1 1 d . U . . .
H8 H 0.324137 0.581519 0.740856 0.067 Uiso 1 1 calc R U . . .
C9 C 0.367(2) 0.5497(14) 0.8275(14) 0.058(4) Uani 1 1 d . U . . .
H9 H 0.327526 0.564369 0.855962 0.070 Uiso 1 1 calc R U . . .
C10 C 0.463(2) 0.4912(13) 0.9023(13) 0.059(4) Uani 1 1 d D U . . .
H10A H 0.477978 0.520877 0.931758 0.071 Uiso 1 1 calc R U . . .
H10B H 0.518182 0.471783 0.895375 0.071 Uiso 1 1 calc R U . . .
C11 C 0.402(2) 0.4523(13) 0.9371(14) 0.066(4) Uani 1 1 d D U . . .
H11A H 0.368564 0.474482 0.965909 0.079 Uiso 1 1 calc R U . . .
H11B H 0.442042 0.429457 0.964208 0.079 Uiso 1 1 calc R U . . .
C12 C 0.335(2) 0.4139(15) 0.9027(16) 0.082(6) Uani 1 1 d D U . . .
H12A H 0.285569 0.434831 0.883934 0.123 Uiso 1 1 calc R U . . .
H12B H 0.312754 0.388342 0.933036 0.123 Uiso 1 1 calc R U . . .
H12C H 0.363787 0.394508 0.869442 0.123 Uiso 1 1 calc R U . . .
C13 C 0.267(2) 0.3287(13) 0.3623(14) 0.047(2) Uani 1 1 d . U . . .
H13 H 0.303396 0.307033 0.390007 0.056 Uiso 1 1 calc R U . . .
C14 C 0.202(2) 0.3960(13) 0.3150(14) 0.047(3) Uani 1 1 d . U . . .
H14 H 0.184812 0.431724 0.304956 0.056 Uiso 1 1 calc R U . . .
C15 C 0.164(2) 0.3514(12) 0.2874(14) 0.047(2) Uani 1 1 d . U . . .
H15 H 0.118854 0.349819 0.254562 0.056 Uiso 1 1 calc R U . . .
C16 C 0.185(2) 0.2501(12) 0.3067(13) 0.045(2) Uani 1 1 d . U . . .
H16A H 0.136201 0.248220 0.273584 0.054 Uiso 1 1 calc R U . . .
H16B H 0.236889 0.232779 0.289653 0.054 Uiso 1 1 calc R U . . .
C17 C 0.158(2) 0.2188(12) 0.3624(14) 0.049(3) Uani 1 1 d . U . . .
H17A H 0.109533 0.237734 0.382383 0.058 Uiso 1 1 calc R U . . .
H17B H 0.208643 0.216681 0.393728 0.058 Uiso 1 1 calc R U . . .
C18 C 0.127(2) 0.1614(13) 0.3443(15) 0.061(6) Uani 1 1 d . U . . .
H18A H 0.138212 0.154681 0.299929 0.091 Uiso 1 1 calc R U . . .
H18B H 0.064376 0.157749 0.350797 0.091 Uiso 1 1 calc R U . . .
H18C H 0.160546 0.135397 0.370852 0.091 Uiso 1 1 calc R U . . .
C19 C 0.626(2) 0.2597(13) 0.2436(14) 0.048(3) Uani 1 1 d . U . . .
H19 H 0.625636 0.290146 0.270258 0.057 Uiso 1 1 calc R U . . .
C20 C 0.5829(19) 0.1906(12) 0.1872(14) 0.045(3) Uani 1 1 d . U . . .
H20 H 0.548127 0.162873 0.168097 0.054 Uiso 1 1 calc R U . . .
C21 C 0.673(2) 0.1975(13) 0.1830(14) 0.049(3) Uani 1 1 d . U . . .
H21 H 0.709510 0.176294 0.157690 0.059 Uiso 1 1 calc R U . . .
C22 C 0.7945(15) 0.2588(13) 0.2300(12) 0.051(3) Uani 1 1 d D U . . .
H22A H 0.795912 0.297464 0.220064 0.062 Uiso 1 1 calc R U . . .
H22B H 0.833043 0.240046 0.200958 0.062 Uiso 1 1 calc R U . . .
C23 C 0.8305(17) 0.2498(13) 0.2992(12) 0.057(4) Uani 1 1 d D U . . .
H23A H 0.842163 0.211332 0.306877 0.068 Uiso 1 1 calc R U . . .
H23B H 0.786888 0.262212 0.329003 0.068 Uiso 1 1 calc R U . . .
C24 C 0.9177(19) 0.2827(14) 0.3084(17) 0.074(6) Uani 1 1 d D U . . .
H24A H 0.965971 0.262931 0.290332 0.111 Uiso 1 1 calc R U . . .
H24B H 0.931290 0.288487 0.353504 0.111 Uiso 1 1 calc R U . . .
H24C H 0.910407 0.317366 0.287117 0.111 Uiso 1 1 calc R U . . .
C25 C 0.305(2) 0.3117(13) 0.1604(14) 0.046(3) Uani 1 1 d . U . . .
H25 H 0.276897 0.281222 0.141673 0.055 Uiso 1 1 calc R U . . .
C26 C 0.388(2) 0.3636(12) 0.2218(14) 0.046(2) Uani 1 1 d . U . . .
H26 H 0.428138 0.375929 0.254443 0.055 Uiso 1 1 calc R U . . .
C27 C 0.342(2) 0.3963(13) 0.1803(14) 0.048(3) Uani 1 1 d . U . . .
H27 H 0.345630 0.434146 0.178147 0.058 Uiso 1 1 calc R U . . .
C28 C 0.2179(19) 0.3797(11) 0.0931(14) 0.049(3) Uani 1 1 d D U . . .
H28A H 0.248727 0.386951 0.054065 0.059 Uiso 1 1 calc R U . . .
H28B H 0.181591 0.347357 0.084726 0.059 Uiso 1 1 calc R U . . .
C29 C 0.156(2) 0.4243(12) 0.0999(13) 0.057(3) Uani 1 1 d D U . . .
H29A H 0.183178 0.453047 0.126283 0.068 Uiso 1 1 calc R U . . .
H29B H 0.102053 0.411669 0.120026 0.068 Uiso 1 1 calc R U . . .
C30 C 0.132(3) 0.4447(15) 0.0339(14) 0.078(6) Uani 1 1 d D U . . .
H30A H 0.184972 0.459943 0.016144 0.117 Uiso 1 1 calc R U . . .
H30B H 0.086690 0.472243 0.035623 0.117 Uiso 1 1 calc R U . . .
H30C H 0.110343 0.414953 0.007386 0.117 Uiso 1 1 calc R U . . .
C31 C 0.416(2) 0.1964(13) 0.3822(15) 0.055(3) Uani 1 1 d . U . . .
H31 H 0.428234 0.229638 0.402333 0.065 Uiso 1 1 calc R U . . .
C32 C 0.386(2) 0.1337(13) 0.3136(15) 0.052(3) Uani 1 1 d . U . . .
H32 H 0.376078 0.116774 0.273902 0.062 Uiso 1 1 calc R U . . .
C33 C 0.386(2) 0.1089(13) 0.3698(14) 0.053(3) Uani 1 1 d . U . . .
H33 H 0.373529 0.072235 0.377415 0.063 Uiso 1 1 calc R U . . .
C34 C 0.4209(18) 0.1426(13) 0.4876(14) 0.055(3) Uani 1 1 d D U . . .
H34A H 0.456978 0.172465 0.505662 0.066 Uiso 1 1 calc R U . . .
H34B H 0.450847 0.108381 0.498270 0.066 Uiso 1 1 calc R U . . .
C35 C 0.3259(18) 0.1437(14) 0.5128(12) 0.060(4) Uani 1 1 d D U . . .
H35A H 0.296909 0.178022 0.501199 0.072 Uiso 1 1 calc R U . . .
H35B H 0.290367 0.114327 0.493084 0.072 Uiso 1 1 calc R U . . .
C36 C 0.330(3) 0.1370(16) 0.5861(12) 0.086(7) Uani 1 1 d D U . . .
H36A H 0.307013 0.101781 0.596920 0.130 Uiso 1 1 calc R U . . .
H36B H 0.294938 0.165008 0.604827 0.130 Uiso 1 1 calc R U . . .
H36C H 0.391654 0.139962 0.602428 0.130 Uiso 1 1 calc R U . . .
C37 C 0.099(2) 0.3265(14) 0.4726(16) 0.059(3) Uani 1 1 d . U . . .
H37 H 0.156359 0.311935 0.469770 0.070 Uiso 1 1 calc R U . . .
C38 C -0.012(2) 0.3883(15) 0.4613(16) 0.063(3) Uani 1 1 d . U . . .
H38 H -0.039173 0.421495 0.450341 0.076 Uiso 1 1 calc R U . . .
C39 C -0.043(2) 0.3469(15) 0.4888(16) 0.065(3) Uani 1 1 d . U . . .
H39 H -0.102166 0.344409 0.500244 0.078 Uiso 1 1 calc R U . . .
C40 C -0.014(2) 0.2607(9) 0.5415(13) 0.069(3) Uani 1 1 d D U . . .
H40A H -0.078540 0.263893 0.540141 0.082 Uiso 1 1 calc R U . . .
H40B H 0.009024 0.265556 0.585767 0.082 Uiso 1 1 calc R U . . .
C41 C 0.013(2) 0.2043(9) 0.5180(12) 0.072(4) Uani 1 1 d D U . . .
H41A H 0.067488 0.207289 0.495196 0.086 Uiso 1 1 calc R U . . .
H41B H -0.034385 0.190998 0.487865 0.086 Uiso 1 1 calc R U . . .
C42 C 0.027(3) 0.1630(11) 0.5723(16) 0.087(6) Uani 1 1 d D U . . .
H42A H 0.085820 0.167860 0.592675 0.131 Uiso 1 1 calc R U . . .
H42B H 0.021802 0.126644 0.555065 0.131 Uiso 1 1 calc R U . . .
H42C H -0.017662 0.168319 0.603346 0.131 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
W1 O1 2.379(14) . ?
W1 O4 1.694(14) . ?
W1 O5 1.911(13) . ?
W1 O6 1.897(13) . ?
W1 O7 1.874(14) . ?
W1 O8 1.920(14) . ?
W2 O1 2.338(13) . ?
W2 O6 1.969(14) . ?
W2 O9 1.835(14) . ?
W2 O10 1.725(13) . ?
W2 O11 1.904(14) . ?
W2 O12 1.945(14) . ?
W3 O1 2.294(14) . ?
W3 O7 1.995(14) . ?
W3 O12 1.918(13) . ?
W3 O13 1.842(14) . ?
W3 O14 1.732(14) . ?
W3 O15 1.927(13) . ?
W4 O2 2.339(14) . ?
W4 O15 1.924(13) . ?
W4 O16 1.843(14) . ?
W4 O17 1.723(14) . ?
W4 O18 1.987(14) . ?
W4 O19 1.905(13) . ?
W5 O2 2.366(14) . ?
W5 O5 1.923(13) . ?
W5 O18 1.867(14) . ?
W5 O20 1.743(14) . ?
W5 O21 1.910(13) . ?
W5 O22 1.924(14) . ?
W6 O2 2.343(13) . ?
W6 O19 1.964(14) . ?
W6 O21 1.955(14) . ?
W6 O23 1.726(13) . ?
W6 O24 1.856(14) . ?
W6 O25 1.911(14) . ?
W7 O3 2.394(13) . ?
W7 O25 1.910(14) . ?
W7 O26 1.861(14) . ?
W7 O27 1.694(14) . ?
W7 O28 1.964(14) . ?
W7 O29 1.920(13) . ?
W8 O3 2.342(14) . ?
W8 O8 1.936(14) . ?
W8 O22 1.915(14) . ?
W8 O28 1.902(14) . ?
W8 O30 1.756(14) . ?
W8 O31 1.878(14) . ?
W9 O3 2.377(14) . ?
W9 O11 1.929(14) . ?
W9 O29 1.958(13) . ?
W9 O31 1.992(14) . ?
W9 O32 1.821(14) . ?
W9 O33 1.714(13) . ?
Zn1 Zn3 3.148(4) . ?
Zn1 N1 2.03(2) . ?
Zn1 O9 2.097(14) 3_666 ?
Zn1 O16 2.094(13) . ?
Zn1 O24 2.070(14) . ?
Zn1 O32 2.077(14) 3_666 ?
Zn2 N3 2.00(2) . ?
Zn2 O13 2.097(13) . ?
Zn2 O16 2.079(13) . ?
Zn2 O26 2.092(14) 3_666 ?
Zn2 O32 2.088(14) 3_666 ?
Zn3 N5 2.02(2) . ?
Zn3 O9 2.070(14) 3_666 ?
Zn3 O13 2.083(14) 3_666 ?
Zn3 O24 2.065(14) . ?
Zn3 O26 2.038(14) . ?
Zn4 N7 1.97(2) . ?
Zn4 N9 2.00(2) . ?
Zn4 N11 2.04(2) . ?
Zn4 O14 2.197(15) . ?
Zn4 O30 2.168(14) 4_565 ?
As1 O1 1.802(13) . ?
As1 O2 1.782(13) . ?
As1 O3 1.768(14) . ?
N1 C1 1.30(3) . ?
N1 C2 1.42(4) . ?
N2 C1 1.38(3) . ?
N2 C3 1.35(4) . ?
N2 C4 1.52(4) . ?
N3 C13 1.30(3) . ?
N3 C14 1.41(4) . ?
N4 C13 1.34(3) . ?
N4 C15 1.37(4) . ?
N4 C16 1.49(3) . ?
N5 C7 1.30(4) . ?
N5 C8 1.38(4) . ?
N6 C7 1.34(3) . ?
N6 C9 1.34(4) . ?
N6 C10 1.41(3) . ?
N7 C19 1.33(3) . ?
N7 C20 1.37(3) . ?
N8 C19 1.37(3) . ?
N8 C21 1.32(3) . ?
N8 C22 1.457(10) . ?
N9 C25 1.37(3) . ?
N9 C26 1.36(3) . ?
N10 C25 1.35(4) . ?
N10 C27 1.34(3) . ?
N10 C28 1.48(3) . ?
N11 C31 1.25(3) . ?
N11 C32 1.44(4) . ?
N12 C31 1.35(4) . ?
N12 C33 1.38(4) . ?
N12 C34 1.53(4) . ?
N13 C37 1.43(4) . ?
N13 C39 1.48(4) . ?
N13 C40 1.448(10) . ?
N14 H14A 0.8600 . ?
N14 C37 1.22(4) . ?
N14 C38 1.33(4) . ?
O34 H34C 0.8501 . ?
O34 H34D 0.8500 . ?
C1 H1 0.9300 . ?
C2 H2 0.9300 . ?
C2 C3 1.29(4) . ?
C3 H3 0.9300 . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C4 C5 1.48(4) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C5 C6 1.46(4) . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 H7 0.9300 . ?
C8 H8 0.9300 . ?
C8 C9 1.35(4) . ?
C9 H9 0.9300 . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10 C11 1.519(10) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11 C12 1.526(10) . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
C14 C15 1.35(4) . ?
C15 H15 0.9300 . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 C17 1.46(4) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C17 C18 1.52(4) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19 0.9300 . ?
C20 H20 0.9300 . ?
C20 C21 1.37(4) . ?
C21 H21 0.9300 . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C22 C23 1.524(10) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C23 C24 1.530(10) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
C26 C27 1.34(4) . ?
C27 H27 0.9300 . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C28 C29 1.443(18) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C29 C30 1.484(19) . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 H31 0.9300 . ?
C32 H32 0.9300 . ?
C32 C33 1.32(4) . ?
C33 H33 0.9300 . ?
C34 H34A 0.9700 . ?
C34 H34B 0.9700 . ?
C34 C35 1.534(10) . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C35 C36 1.531(10) . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C37 H37 0.9300 . ?
C38 H38 0.9300 . ?
C38 C39 1.26(4) . ?
C39 H39 0.9300 . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?
C40 C41 1.521(10) . ?
C41 H41A 0.9700 . ?
C41 H41B 0.9700 . ?
C41 C42 1.522(10) . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?

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
O4 W1 O1 170.4(6) . . ?
O4 W1 O5 101.7(6) . . ?
O4 W1 O6 100.7(6) . . ?
O4 W1 O7 101.0(7) . . ?
O4 W1 O8 100.6(6) . . ?
O5 W1 O1 86.2(5) . . ?
O5 W1 O8 85.9(6) . . ?
O6 W1 O1 72.0(5) . . ?
O6 W1 O5 157.2(6) . . ?
O6 W1 O8 86.1(6) . . ?
O7 W1 O1 73.4(5) . . ?
O7 W1 O5 89.1(6) . . ?
O7 W1 O6 90.6(6) . . ?
O7 W1 O8 158.4(6) . . ?
O8 W1 O1 85.3(5) . . ?
O6 W2 O1 71.8(5) . . ?
O9 W2 O1 84.1(5) . . ?
O9 W2 O6 155.9(6) . . ?
O9 W2 O11 90.3(6) . . ?
O9 W2 O12 89.5(6) . . ?
O10 W2 O1 170.3(6) . . ?
O10 W2 O6 100.5(6) . . ?
O10 W2 O9 103.5(6) . . ?
O10 W2 O11 99.2(6) . . ?
O10 W2 O12 100.1(6) . . ?
O11 W2 O1 86.6(5) . . ?
O11 W2 O6 88.7(6) . . ?
O11 W2 O12 160.1(5) . . ?
O12 W2 O1 73.6(5) . . ?
O12 W2 O6 83.5(6) . . ?
O7 W3 O1 73.3(5) . . ?
O12 W3 O1 75.1(5) . . ?
O12 W3 O7 84.4(6) . . ?
O12 W3 O15 160.2(6) . . ?
O13 W3 O1 87.7(6) . . ?
O13 W3 O7 161.0(6) . . ?
O13 W3 O12 90.1(6) . . ?
O13 W3 O15 91.7(6) . . ?
O14 W3 O1 167.2(6) . . ?
O14 W3 O7 95.2(6) . . ?
O14 W3 O12 98.4(6) . . ?
O14 W3 O13 103.5(7) . . ?
O14 W3 O15 100.4(6) . . ?
O15 W3 O1 85.3(5) . . ?
O15 W3 O7 87.6(6) . . ?
O15 W4 O2 83.2(5) . . ?
O15 W4 O18 86.8(6) . . ?
O16 W4 O2 86.6(6) . . ?
O16 W4 O15 89.2(6) . . ?
O16 W4 O18 158.7(6) . . ?
O16 W4 O19 90.5(6) . . ?
O17 W4 O2 169.9(6) . . ?
O17 W4 O15 98.0(6) . . ?
O17 W4 O16 103.4(6) . . ?
O17 W4 O18 97.8(6) . . ?
O17 W4 O19 102.7(6) . . ?
O18 W4 O2 72.2(5) . . ?
O19 W4 O2 75.5(5) . . ?
O19 W4 O15 158.7(6) . . ?
O19 W4 O18 85.7(6) . . ?
O5 W5 O2 86.7(5) . . ?
O5 W5 O22 84.6(6) . . ?
O18 W5 O2 73.5(5) . . ?
O18 W5 O5 89.7(6) . . ?
O18 W5 O21 89.4(6) . . ?
O18 W5 O22 158.8(6) . . ?
O20 W5 O2 171.1(5) . . ?
O20 W5 O5 100.9(6) . . ?
O20 W5 O18 101.6(6) . . ?
O20 W5 O21 99.8(6) . . ?
O20 W5 O22 99.6(6) . . ?
O21 W5 O2 73.0(5) . . ?
O21 W5 O5 159.0(6) . . ?
O21 W5 O22 88.6(6) . . ?
O22 W5 O2 85.7(5) . . ?
O19 W6 O2 74.4(5) . . ?
O21 W6 O2 72.8(5) . . ?
O21 W6 O19 84.5(6) . . ?
O23 W6 O2 170.3(6) . . ?
O23 W6 O19 99.8(6) . . ?
O23 W6 O21 99.2(6) . . ?
O23 W6 O24 104.2(6) . . ?
O23 W6 O25 99.8(6) . . ?
O24 W6 O2 83.6(5) . . ?
O24 W6 O19 88.0(6) . . ?
O24 W6 O21 156.3(6) . . ?
O24 W6 O25 90.0(6) . . ?
O25 W6 O2 85.8(5) . . ?
O25 W6 O19 160.2(5) . . ?
O25 W6 O21 89.6(6) . . ?
O25 W7 O3 84.4(5) . . ?
O25 W7 O28 88.7(6) . . ?
O25 W7 O29 159.4(6) . . ?
O26 W7 O3 86.5(5) . . ?
O26 W7 O25 89.5(6) . . ?
O26 W7 O28 158.8(6) . . ?
O26 W7 O29 89.1(6) . . ?
O27 W7 O3 168.8(6) . . ?
O27 W7 O25 101.2(6) . . ?
O27 W7 O26 103.0(6) . . ?
O27 W7 O28 98.1(6) . . ?
O27 W7 O29 99.1(6) . . ?
O28 W7 O3 72.2(5) . . ?
O29 W7 O3 75.0(5) . . ?
O29 W7 O28 85.3(6) . . ?
O8 W8 O3 86.1(5) . . ?
O22 W8 O3 86.2(5) . . ?
O22 W8 O8 86.4(6) . . ?
O28 W8 O3 74.5(5) . . ?
O28 W8 O8 160.2(6) . . ?
O28 W8 O22 88.5(6) . . ?
O30 W8 O3 169.3(6) . . ?
O30 W8 O8 101.9(6) . . ?
O30 W8 O22 101.3(6) . . ?
O30 W8 O28 97.8(6) . . ?
O30 W8 O31 98.2(6) . . ?
O31 W8 O3 74.7(5) . . ?
O31 W8 O8 88.6(6) . . ?
O31 W8 O22 160.5(6) . . ?
O31 W8 O28 89.9(6) . . ?
O11 W9 O3 83.9(5) . . ?
O11 W9 O29 158.7(6) . . ?
O11 W9 O31 88.6(6) . . ?
O29 W9 O3 74.8(5) . . ?
O29 W9 O31 85.0(6) . . ?
O31 W9 O3 72.0(5) . . ?
O32 W9 O3 85.6(5) . . ?
O32 W9 O11 90.5(6) . . ?
O32 W9 O29 87.9(6) . . ?
O32 W9 O31 157.5(6) . . ?
O33 W9 O3 169.9(6) . . ?
O33 W9 O11 100.4(6) . . ?
O33 W9 O29 100.7(6) . . ?
O33 W9 O31 98.8(6) . . ?
O33 W9 O32 103.4(6) . . ?
N1 Zn1 Zn3 109.0(7) . . ?
N1 Zn1 O9 96.5(8) . 3_666 ?
N1 Zn1 O16 116.8(8) . . ?
N1 Zn1 O24 102.9(8) . . ?
N1 Zn1 O32 109.7(8) . 3_666 ?
O9 Zn1 Zn3 40.6(4) 3_666 . ?
O16 Zn1 Zn3 119.0(4) . . ?
O16 Zn1 O9 146.7(5) . 3_666 ?
O24 Zn1 Zn3 40.4(4) . . ?
O24 Zn1 O9 80.1(5) . 3_666 ?
O24 Zn1 O16 90.1(5) . . ?
O24 Zn1 O32 147.1(5) . 3_666 ?
O32 Zn1 Zn3 120.3(4) 3_666 . ?
O32 Zn1 O9 91.5(6) 3_666 3_666 ?
O32 Zn1 O16 79.6(5) 3_666 . ?
N3 Zn2 O13 103.1(8) . . ?
N3 Zn2 O16 105.1(8) . . ?
N3 Zn2 O26 109.8(8) . 3_666 ?
N3 Zn2 O32 112.5(8) . 3_666 ?
O16 Zn2 O13 90.4(5) . . ?
O16 Zn2 O26 144.8(6) . 3_666 ?
O16 Zn2 O32 79.7(5) . 3_666 ?
O26 Zn2 O13 77.5(5) 3_666 . ?
O32 Zn2 O13 144.4(6) 3_666 . ?
O32 Zn2 O26 91.1(5) 3_666 3_666 ?
N5 Zn3 Zn1 114.4(8) . . ?
N5 Zn3 O9 106.5(8) . 3_666 ?
N5 Zn3 O13 113.0(8) . 3_666 ?
N5 Zn3 O24 100.8(8) . . ?
N5 Zn3 O26 106.4(8) . . ?
O9 Zn3 Zn1 41.3(4) 3_666 . ?
O9 Zn3 O13 88.9(5) 3_666 3_666 ?
O13 Zn3 Zn1 118.3(4) 3_666 . ?
O24 Zn3 Zn1 40.5(4) . . ?
O24 Zn3 O9 80.9(6) . 3_666 ?
O24 Zn3 O13 146.2(5) . 3_666 ?
O26 Zn3 Zn1 120.7(4) . . ?
O26 Zn3 O9 147.1(5) . 3_666 ?
O26 Zn3 O13 79.0(5) . 3_666 ?
O26 Zn3 O24 92.3(6) . . ?
N7 Zn4 N9 114.6(9) . . ?
N7 Zn4 N11 107.3(10) . . ?
N7 Zn4 O14 92.1(7) . . ?
N7 Zn4 O30 97.1(7) . 4_565 ?
N9 Zn4 N11 137.9(9) . . ?
N9 Zn4 O14 86.5(7) . . ?
N9 Zn4 O30 87.7(8) . 4_565 ?
N11 Zn4 O14 87.8(8) . . ?
N11 Zn4 O30 91.4(8) . 4_565 ?
O30 Zn4 O14 170.5(5) 4_565 . ?
O2 As1 O1 96.5(6) . . ?
O3 As1 O1 95.9(6) . . ?
O3 As1 O2 97.4(6) . . ?
C1 N1 Zn1 122(2) . . ?
C1 N1 C2 106(2) . . ?
C2 N1 Zn1 129(2) . . ?
C1 N2 C4 122(3) . . ?
C3 N2 C1 107(2) . . ?
C3 N2 C4 131(3) . . ?
C13 N3 Zn2 128(2) . . ?
C13 N3 C14 103(2) . . ?
C14 N3 Zn2 129(2) . . ?
C13 N4 C15 109(3) . . ?
C13 N4 C16 127(3) . . ?
C15 N4 C16 124(3) . . ?
C7 N5 Zn3 128(2) . . ?
C7 N5 C8 102(2) . . ?
C8 N5 Zn3 129(2) . . ?
C7 N6 C10 125(3) . . ?
C9 N6 C7 103(3) . . ?
C9 N6 C10 131(3) . . ?
C19 N7 Zn4 126.0(19) . . ?
C19 N7 C20 105(2) . . ?
C20 N7 Zn4 129(2) . . ?
C19 N8 C22 128(2) . . ?
C21 N8 C19 104(2) . . ?
C21 N8 C22 128(2) . . ?
C25 N9 Zn4 129(2) . . ?
C26 N9 Zn4 127(2) . . ?
C26 N9 C25 104(2) . . ?
C25 N10 C28 123(2) . . ?
C27 N10 C25 108(3) . . ?
C27 N10 C28 129(3) . . ?
C31 N11 Zn4 129(2) . . ?
C31 N11 C32 104(2) . . ?
C32 N11 Zn4 125.9(19) . . ?
C31 N12 C33 107(3) . . ?
C31 N12 C34 125(3) . . ?
C33 N12 C34 128(3) . . ?
C37 N13 C39 99(2) . . ?
C37 N13 C40 150(3) . . ?
C40 N13 C39 110(2) . . ?
C37 N14 H14A 118.4 . . ?
C37 N14 C38 123(3) . . ?
C38 N14 H14A 118.4 . . ?
W2 O1 W1 92.5(5) . . ?
W3 O1 W1 92.2(5) . . ?
W3 O1 W2 91.7(5) . . ?
As1 O1 W1 135.0(7) . . ?
As1 O1 W2 117.3(7) . . ?
As1 O1 W3 117.8(7) . . ?
W4 O2 W5 91.8(5) . . ?
W4 O2 W6 90.8(5) . . ?
W6 O2 W5 91.9(5) . . ?
As1 O2 W4 119.1(7) . . ?
As1 O2 W5 134.9(7) . . ?
As1 O2 W6 117.5(7) . . ?
W8 O3 W7 91.1(5) . . ?
W8 O3 W9 91.5(5) . . ?
W9 O3 W7 89.6(5) . . ?
As1 O3 W7 117.5(6) . . ?
As1 O3 W8 136.0(7) . . ?
As1 O3 W9 119.4(7) . . ?
W1 O5 W5 151.3(8) . . ?
W1 O6 W2 123.6(7) . . ?
W1 O7 W3 121.0(7) . . ?
W1 O8 W8 148.9(8) . . ?
W2 O9 Zn1 131.2(7) . 3_666 ?
W2 O9 Zn3 128.3(7) . 3_666 ?
Zn3 O9 Zn1 98.1(6) 3_666 3_666 ?
W2 O11 W9 151.9(8) . . ?
W3 O12 W2 118.8(7) . . ?
W3 O13 Zn2 132.0(7) . . ?
W3 O13 Zn3 127.7(7) . 3_666 ?
Zn3 O13 Zn2 99.5(6) 3_666 . ?
W3 O14 Zn4 166.4(9) . . ?
W4 O15 W3 151.3(8) . . ?
W4 O16 Zn1 125.5(7) . . ?
W4 O16 Zn2 134.9(7) . . ?
Zn2 O16 Zn1 98.7(6) . . ?
W5 O18 W4 122.4(7) . . ?
W4 O19 W6 118.9(7) . . ?
W5 O21 W6 122.3(7) . . ?
W8 O22 W5 150.5(8) . . ?
W6 O24 Zn1 127.8(7) . . ?
W6 O24 Zn3 130.7(7) . . ?
Zn3 O24 Zn1 99.2(6) . . ?
W7 O25 W6 152.9(8) . . ?
W7 O26 Zn2 124.8(7) . 3_666 ?
W7 O26 Zn3 133.5(7) . . ?
Zn3 O26 Zn2 101.2(6) . 3_666 ?
W8 O28 W7 122.0(7) . . ?
W7 O29 W9 120.2(7) . . ?
W8 O30 Zn4 163.2(8) . 4_666 ?
W8 O31 W9 121.7(7) . . ?
W9 O32 Zn1 132.9(7) . 3_666 ?
W9 O32 Zn2 127.2(7) . 3_666 ?
Zn1 O32 Zn2 99.0(6) 3_666 3_666 ?
H34C O34 H34D 107.4 . . ?
N1 C1 N2 109(3) . . ?
N1 C1 H1 125.6 . . ?
N2 C1 H1 125.6 . . ?
N1 C2 H2 125.9 . . ?
C3 C2 N1 108(3) . . ?
C3 C2 H2 125.9 . . ?
N2 C3 H3 125.4 . . ?
C2 C3 N2 109(3) . . ?
C2 C3 H3 125.4 . . ?
N2 C4 H4A 110.1 . . ?
N2 C4 H4B 110.1 . . ?
H4A C4 H4B 108.4 . . ?
C5 C4 N2 108(3) . . ?
C5 C4 H4A 110.1 . . ?
C5 C4 H4B 110.1 . . ?
C4 C5 H5A 105.2 . . ?
C4 C5 H5B 105.2 . . ?
H5A C5 H5B 105.9 . . ?
C6 C5 C4 128(3) . . ?
C6 C5 H5A 105.2 . . ?
C6 C5 H5B 105.2 . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
N5 C7 N6 116(3) . . ?
N5 C7 H7 122.0 . . ?
N6 C7 H7 122.0 . . ?
N5 C8 H8 125.2 . . ?
C9 C8 N5 110(3) . . ?
C9 C8 H8 125.2 . . ?
N6 C9 C8 109(3) . . ?
N6 C9 H9 125.6 . . ?
C8 C9 H9 125.6 . . ?
N6 C10 H10A 107.0 . . ?
N6 C10 H10B 107.0 . . ?
N6 C10 C11 121(3) . . ?
H10A C10 H10B 106.7 . . ?
C11 C10 H10A 107.0 . . ?
C11 C10 H10B 107.0 . . ?
C10 C11 H11A 106.4 . . ?
C10 C11 H11B 106.4 . . ?
C10 C11 C12 124(3) . . ?
H11A C11 H11B 106.5 . . ?
C12 C11 H11A 106.4 . . ?
C12 C11 H11B 106.4 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N3 C13 N4 112(3) . . ?
N3 C13 H13 123.9 . . ?
N4 C13 H13 123.9 . . ?
N3 C14 H14 124.3 . . ?
C15 C14 N3 111(3) . . ?
C15 C14 H14 124.3 . . ?
N4 C15 H15 128.1 . . ?
C14 C15 N4 104(3) . . ?
C14 C15 H15 128.1 . . ?
N4 C16 H16A 108.4 . . ?
N4 C16 H16B 108.4 . . ?
H16A C16 H16B 107.4 . . ?
C17 C16 N4 116(2) . . ?
C17 C16 H16A 108.4 . . ?
C17 C16 H16B 108.4 . . ?
C16 C17 H17A 109.2 . . ?
C16 C17 H17B 109.2 . . ?
C16 C17 C18 112(3) . . ?
H17A C17 H17B 107.9 . . ?
C18 C17 H17A 109.2 . . ?
C18 C17 H17B 109.2 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
N7 C19 N8 113(3) . . ?
N7 C19 H19 123.6 . . ?
N8 C19 H19 123.6 . . ?
N7 C20 H20 126.2 . . ?
C21 C20 N7 108(3) . . ?
C21 C20 H20 126.2 . . ?
N8 C21 C20 111(3) . . ?
N8 C21 H21 124.7 . . ?
C20 C21 H21 124.7 . . ?
N8 C22 H22A 109.3 . . ?
N8 C22 H22B 109.3 . . ?
N8 C22 C23 112(2) . . ?
H22A C22 H22B 108.0 . . ?
C23 C22 H22A 109.3 . . ?
C23 C22 H22B 109.3 . . ?
C22 C23 H23A 110.3 . . ?
C22 C23 H23B 110.3 . . ?
C22 C23 C24 107(2) . . ?
H23A C23 H23B 108.5 . . ?
C24 C23 H23A 110.3 . . ?
C24 C23 H23B 110.3 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N9 C25 H25 125.0 . . ?
N10 C25 N9 110(3) . . ?
N10 C25 H25 125.0 . . ?
N9 C26 H26 124.4 . . ?
C27 C26 N9 111(3) . . ?
C27 C26 H26 124.4 . . ?
N10 C27 H27 126.5 . . ?
C26 C27 N10 107(3) . . ?
C26 C27 H27 126.5 . . ?
N10 C28 H28A 106.2 . . ?
N10 C28 H28B 106.2 . . ?
H28A C28 H28B 106.4 . . ?
C29 C28 N10 124(2) . . ?
C29 C28 H28A 106.2 . . ?
C29 C28 H28B 106.2 . . ?
C28 C29 H29A 110.4 . . ?
C28 C29 H29B 110.4 . . ?
C28 C29 C30 106(3) . . ?
H29A C29 H29B 108.6 . . ?
C30 C29 H29A 110.4 . . ?
C30 C29 H29B 110.4 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
N11 C31 N12 113(3) . . ?
N11 C31 H31 123.3 . . ?
N12 C31 H31 123.3 . . ?
N11 C32 H32 124.9 . . ?
C33 C32 N11 110(3) . . ?
C33 C32 H32 124.9 . . ?
N12 C33 H33 127.4 . . ?
C32 C33 N12 105(3) . . ?
C32 C33 H33 127.4 . . ?
N12 C34 H34A 110.8 . . ?
N12 C34 H34B 110.8 . . ?
N12 C34 C35 105(2) . . ?
H34A C34 H34B 108.9 . . ?
C35 C34 H34A 110.8 . . ?
C35 C34 H34B 110.8 . . ?
C34 C35 H35A 109.6 . . ?
C34 C35 H35B 109.6 . . ?
H35A C35 H35B 108.1 . . ?
C36 C35 C34 110(3) . . ?
C36 C35 H35A 109.6 . . ?
C36 C35 H35B 109.6 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
N13 C37 H37 127.9 . . ?
N14 C37 N13 104(3) . . ?
N14 C37 H37 127.9 . . ?
N14 C38 H38 130.4 . . ?
C39 C38 N14 99(4) . . ?
C39 C38 H38 130.4 . . ?
N13 C39 H39 122.7 . . ?
C38 C39 N13 115(3) . . ?
C38 C39 H39 122.7 . . ?
N13 C40 H40A 109.6 . . ?
N13 C40 H40B 109.6 . . ?
N13 C40 C41 110.1(14) . . ?
H40A C40 H40B 108.1 . . ?
C41 C40 H40A 109.6 . . ?
C41 C40 H40B 109.6 . . ?
C40 C41 H41A 109.0 . . ?
C40 C41 H41B 109.0 . . ?
C40 C41 C42 113.1(14) . . ?
H41A C41 H41B 107.8 . . ?
C42 C41 H41A 109.0 . . ?
C42 C41 H41B 109.0 . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
O34 H34C O4 0.85 2.45 3.17(3) 143.1 . yes
O34 H34C O4 0.85 2.45 3.17(3) 143.1 . yes
O34 H34C O4 0.85 2.45 3.17(3) 143.1 . yes
O34 H34C O4 0.85 2.45 3.17(3) 143.1 . yes
O34 H34D O7 0.85 2.38 3.10(3) 142.8 . yes
O34 H34D O7 0.85 2.38 3.10(3) 142.8 . yes
O34 H34D O7 0.85 2.38 3.10(3) 142.8 . yes
O34 H34D O7 0.85 2.38 3.10(3) 142.8 . yes
C1 H1 O23 0.93 2.55 3.32(4) 140.4 . yes
C1 H1 O23 0.93 2.55 3.32(4) 140.4 . yes
C1 H1 O23 0.93 2.55 3.32(4) 140.4 . yes
C1 H1 O23 0.93 2.55 3.32(4) 140.4 . yes
C2 H2 O33 0.93 2.45 3.26(4) 146.7 3_666 yes
C2 H2 O33 0.93 2.45 3.26(4) 146.7 3_666 yes
C2 H2 O33 0.93 2.45 3.26(4) 146.7 3_666 yes
C2 H2 O33 0.93 2.45 3.26(4) 146.7 3_666 yes
C7 H7 O25 0.93 2.56 3.30(3) 137.5 . yes
C7 H7 O25 0.93 2.56 3.30(3) 137.5 . yes
C7 H7 O25 0.93 2.56 3.30(3) 137.5 . yes
C7 H7 O25 0.93 2.56 3.30(3) 137.5 . yes
C7 H7 O27 0.93 2.56 3.31(4) 137.4 . yes
C7 H7 O27 0.93 2.56 3.31(4) 137.4 . yes
C7 H7 O27 0.93 2.56 3.31(4) 137.4 . yes
C7 H7 O27 0.93 2.56 3.31(4) 137.4 . yes
C8 H8 O10 0.93 2.58 3.39(4) 145.6 3_666 yes
C8 H8 O10 0.93 2.58 3.39(4) 145.6 3_666 yes
C8 H8 O10 0.93 2.58 3.39(4) 145.6 3_666 yes
C8 H8 O10 0.93 2.58 3.39(4) 145.6 3_666 yes
C8 H8 O12 0.93 2.52 3.12(3) 121.9 3_666 yes
C8 H8 O12 0.93 2.52 3.12(3) 121.9 3_666 yes
C8 H8 O12 0.93 2.52 3.12(3) 121.9 3_666 yes
C8 H8 O12 0.93 2.52 3.12(3) 121.9 3_666 yes
C13 H13 O15 0.93 2.61 3.39(3) 141.2 . yes
C13 H13 O15 0.93 2.61 3.39(3) 141.2 . yes
C13 H13 O15 0.93 2.61 3.39(3) 141.2 . yes
C13 H13 O15 0.93 2.61 3.39(3) 141.2 . yes
C13 H13 O17 0.93 2.51 3.18(3) 128.3 . yes
C13 H13 O17 0.93 2.51 3.18(3) 128.3 . yes
C13 H13 O17 0.93 2.51 3.18(3) 128.3 . yes
C13 H13 O17 0.93 2.51 3.18(3) 128.3 . yes
C14 H14 O29 0.93 2.28 2.99(3) 132.1 3_666 yes
C14 H14 O29 0.93 2.28 2.99(3) 132.1 3_666 yes
C14 H14 O29 0.93 2.28 2.99(3) 132.1 3_666 yes
C14 H14 O29 0.93 2.28 2.99(3) 132.1 3_666 yes
C15 H15 O20 0.93 2.47 3.25(3) 141.0 4_565 yes
C15 H15 O20 0.93 2.47 3.25(3) 141.0 4_565 yes
C15 H15 O20 0.93 2.47 3.25(3) 141.0 4_565 yes
C15 H15 O20 0.93 2.47 3.25(3) 141.0 4_565 yes
C19 H19 O12 0.93 2.47 3.40(3) 171.0 . yes
C19 H19 O12 0.93 2.47 3.40(3) 171.0 . yes
C19 H19 O12 0.93 2.47 3.40(3) 171.0 . yes
C19 H19 O12 0.93 2.47 3.40(3) 171.0 . yes
C19 H19 O14 0.93 2.56 3.06(3) 114.1 . yes
C19 H19 O14 0.93 2.56 3.06(3) 114.1 . yes
C19 H19 O14 0.93 2.56 3.06(3) 114.1 . yes
C19 H19 O14 0.93 2.56 3.06(3) 114.1 . yes
C21 H21 O19 0.93 2.47 3.31(3) 150.2 4_665 yes
C21 H21 O19 0.93 2.47 3.31(3) 150.2 4_665 yes
C21 H21 O19 0.93 2.47 3.31(3) 150.2 4_665 yes
C21 H21 O19 0.93 2.47 3.31(3) 150.2 4_665 yes
C23 H23B O6 0.97 2.63 3.45(3) 143.2 . yes
C23 H23B O6 0.97 2.63 3.45(3) 143.2 . yes
C23 H23B O6 0.97 2.63 3.45(3) 143.2 . yes
C23 H23B O6 0.97 2.63 3.45(3) 143.2 . yes
C25 H25 O22 0.93 2.60 3.43(3) 148.8 4_565 yes
C25 H25 O22 0.93 2.60 3.43(3) 148.8 4_565 yes
C25 H25 O22 0.93 2.60 3.43(3) 148.8 4_565 yes
C25 H25 O22 0.93 2.60 3.43(3) 148.8 4_565 yes
C26 H26 O14 0.93 2.45 2.93(3) 112.4 . yes
C26 H26 O14 0.93 2.45 2.93(3) 112.4 . yes
C26 H26 O14 0.93 2.45 2.93(3) 112.4 . yes
C26 H26 O14 0.93 2.45 2.93(3) 112.4 . yes
C27 H27 O27 0.93 2.39 3.17(3) 141.7 3_666 yes
C27 H27 O27 0.93 2.39 3.17(3) 141.7 3_666 yes
C27 H27 O27 0.93 2.39 3.17(3) 141.7 3_666 yes
C27 H27 O27 0.93 2.39 3.17(3) 141.7 3_666 yes
C31 H31 O14 0.93 2.51 3.01(3) 113.8 . yes
C31 H31 O14 0.93 2.51 3.01(3) 113.8 . yes
C31 H31 O14 0.93 2.51 3.01(3) 113.8 . yes
C31 H31 O14 0.93 2.51 3.01(3) 113.8 . yes
C31 H31 O15 0.93 2.33 3.25(4) 175.0 . yes
C31 H31 O15 0.93 2.33 3.25(4) 175.0 . yes
C31 H31 O15 0.93 2.33 3.25(4) 175.0 . yes
C31 H31 O15 0.93 2.33 3.25(4) 175.0 . yes
C32 H32 O28 0.93 2.34 3.05(3) 132.4 4_565 yes
C32 H32 O28 0.93 2.34 3.05(3) 132.4 4_565 yes
C32 H32 O28 0.93 2.34 3.05(3) 132.4 4_565 yes
C32 H32 O28 0.93 2.34 3.05(3) 132.4 4_565 yes
C34 H34A O18 0.97 2.63 3.45(3) 142.8 . yes
C34 H34A O18 0.97 2.63 3.45(3) 142.8 . yes
C34 H34A O18 0.97 2.63 3.45(3) 142.8 . yes
C34 H34A O18 0.97 2.63 3.45(3) 142.8 . yes
C37 H37 O17 0.93 2.14 3.00(4) 153.6 . yes
C37 H37 O17 0.93 2.14 3.00(4) 153.6 . yes
C37 H37 O17 0.93 2.14 3.00(4) 153.6 . yes
C37 H37 O17 0.93 2.14 3.00(4) 153.6 . yes
C38 H38 O11 0.93 2.61 3.09(4) 112.3 1_455 yes
C38 H38 O11 0.93 2.61 3.09(4) 112.3 1_455 yes
C38 H38 O11 0.93 2.61 3.09(4) 112.3 1_455 yes
C38 H38 O11 0.93 2.61 3.09(4) 112.3 1_455 yes
C39 H39 O6 0.93 2.42 3.07(4) 127.0 1_455 yes
C39 H39 O6 0.93 2.42 3.07(4) 127.0 1_455 yes
C39 H39 O6 0.93 2.42 3.07(4) 127.0 1_455 yes
C39 H39 O6 0.93 2.42 3.07(4) 127.0 1_455 yes
C39 H39 O8 0.93 2.38 3.26(4) 156.7 1_455 yes
C39 H39 O8 0.93 2.38 3.26(4) 156.7 1_455 yes
C39 H39 O8 0.93 2.38 3.26(4) 156.7 1_455 yes
C39 H39 O8 0.93 2.38 3.26(4) 156.7 1_455 yes
C39 H39 O11 0.93 2.54 3.10(4) 119.7 1_455 yes
C39 H39 O11 0.93 2.54 3.10(4) 119.7 1_455 yes
C39 H39 O11 0.93 2.54 3.10(4) 119.7 1_455 yes
C39 H39 O11 0.93 2.54 3.10(4) 119.7 1_455 yes
C39 H39 O31 0.93 2.64 3.19(4) 117.9 1_455 yes
C39 H39 O31 0.93 2.64 3.19(4) 117.9 1_455 yes
C39 H39 O31 0.93 2.64 3.19(4) 117.9 1_455 yes
C39 H39 O31 0.93 2.64 3.19(4) 117.9 1_455 yes
C40 H40A O8 0.97 2.49 3.40(3) 157.2 1_455 yes
C40 H40A O8 0.97 2.49 3.40(3) 157.2 1_455 yes
C40 H40A O8 0.97 2.49 3.40(3) 157.2 1_455 yes
C40 H40A O8 0.97 2.49 3.40(3) 157.2 1_455 yes

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
Zn1 N1 C1 N2 170.7(19) . . . . ?
Zn1 N1 C2 C3 -171(2) . . . . ?
Zn2 N3 C13 N4 -178.3(19) . . . . ?
Zn2 N3 C14 C15 178(2) . . . . ?
Zn3 N5 C7 N6 -174(2) . . . . ?
Zn3 N5 C8 C9 173(2) . . . . ?
Zn4 N7 C19 N8 176.1(19) . . . . ?
Zn4 N7 C20 C21 -178(2) . . . . ?
Zn4 N9 C25 N10 -173.9(18) . . . . ?
Zn4 N9 C26 C27 173(2) . . . . ?
Zn4 N11 C31 N12 -170(2) . . . . ?
Zn4 N11 C32 C33 172(2) . . . . ?
N1 C2 C3 N2 4(4) . . . . ?
N2 C4 C5 C6 53(4) . . . . ?
N3 C14 C15 N4 3(3) . . . . ?
N4 C16 C17 C18 174(3) . . . . ?
N5 C8 C9 N6 -3(4) . . . . ?
N6 C10 C11 C12 32(5) . . . . ?
N7 C20 C21 N8 5(4) . . . . ?
N8 C22 C23 C24 -168(3) . . . . ?
N9 C26 C27 N10 3(4) . . . . ?
N10 C28 C29 C30 151(3) . . . . ?
N11 C32 C33 N12 -2(4) . . . . ?
N12 C34 C35 C36 179(3) . . . . ?
N13 C40 C41 C42 146(3) . . . . ?
N14 C38 C39 N13 3(4) . . . . ?
O1 W1 O6 W2 -3.3(7) . . . . ?
O1 W1 O7 W3 2.9(6) . . . . ?
O1 W2 O9 Zn1 117.8(9) . . . 3_666 ?
O1 W2 O9 Zn3 -83.6(9) . . . 3_666 ?
O1 W3 O13 Zn2 -114.3(10) . . . . ?
O1 W3 O13 Zn3 77.6(9) . . . 3_666 ?
O1 W3 O14 Zn4 36(5) . . . . ?
O1 As1 O2 W4 -77.8(8) . . . . ?
O1 As1 O2 W5 49.5(11) . . . . ?
O1 As1 O2 W6 174.4(7) . . . . ?
O1 As1 O3 W7 -174.9(7) . . . . ?
O1 As1 O3 W8 -50.1(10) . . . . ?
O1 As1 O3 W9 78.6(8) . . . . ?
O2 W4 O16 Zn1 -78.9(8) . . . . ?
O2 W4 O16 Zn2 114.2(10) . . . . ?
O2 W5 O18 W4 -3.4(7) . . . . ?
O2 W6 O24 Zn1 82.8(8) . . . . ?
O2 W6 O24 Zn3 -118.1(9) . . . . ?
O2 As1 O1 W1 -49.1(11) . . . . ?
O2 As1 O1 W2 -174.9(7) . . . . ?
O2 As1 O1 W3 77.0(8) . . . . ?
O2 As1 O3 W7 -77.6(8) . . . . ?
O2 As1 O3 W8 47.3(10) . . . . ?
O2 As1 O3 W9 175.9(7) . . . . ?
O3 W7 O26 Zn2 -80.0(8) . . . 3_666 ?
O3 W7 O26 Zn3 110.3(10) . . . . ?
O3 W8 O30 Zn4 99(4) . . . 4_666 ?
O3 W8 O31 W9 3.4(7) . . . . ?
O3 W9 O32 Zn1 -111.2(10) . . . 3_666 ?
O3 W9 O32 Zn2 82.1(9) . . . 3_666 ?
O3 As1 O1 W1 49.1(10) . . . . ?
O3 As1 O1 W2 -76.7(8) . . . . ?
O3 As1 O1 W3 175.2(7) . . . . ?
O3 As1 O2 W4 -174.6(7) . . . . ?
O3 As1 O2 W5 -47.4(11) . . . . ?
O3 As1 O2 W6 77.5(8) . . . . ?
O4 W1 O6 W2 170.3(9) . . . . ?
O4 W1 O7 W3 -169.1(8) . . . . ?
O5 W1 O6 W2 -20(2) . . . . ?
O5 W1 O7 W3 89.2(8) . . . . ?
O5 W5 O18 W4 -90.1(8) . . . . ?
O6 W1 O7 W3 -68.1(8) . . . . ?
O6 W2 O9 Zn1 118.7(14) . . . 3_666 ?
O6 W2 O9 Zn3 -82.8(16) . . . 3_666 ?
O7 W1 O6 W2 69.0(9) . . . . ?
O7 W3 O13 Zn2 -116.7(16) . . . . ?
O7 W3 O13 Zn3 75(2) . . . 3_666 ?
O7 W3 O14 Zn4 9(3) . . . . ?
O8 W1 O6 W2 -89.6(9) . . . . ?
O8 W1 O7 W3 13(2) . . . . ?
O8 W8 O30 Zn4 -124(3) . . . 4_666 ?
O8 W8 O31 W9 89.7(8) . . . . ?
O10 W2 O9 Zn1 -68.4(10) . . . 3_666 ?
O10 W2 O9 Zn3 90.2(9) . . . 3_666 ?
O11 W2 O9 Zn1 31.2(9) . . . 3_666 ?
O11 W2 O9 Zn3 -170.2(9) . . . 3_666 ?
O11 W9 O32 Zn1 -27.3(10) . . . 3_666 ?
O11 W9 O32 Zn2 165.9(9) . . . 3_666 ?
O12 W2 O9 Zn1 -168.6(9) . . . 3_666 ?
O12 W2 O9 Zn3 -10.1(9) . . . 3_666 ?
O12 W3 O13 Zn2 170.6(10) . . . . ?
O12 W3 O13 Zn3 2.5(9) . . . 3_666 ?
O12 W3 O14 Zn4 94(3) . . . . ?
O13 W3 O14 Zn4 -173(3) . . . . ?
O14 W3 O13 Zn2 71.9(10) . . . . ?
O14 W3 O13 Zn3 -96.2(10) . . . 3_666 ?
O15 W3 O13 Zn2 -29.2(10) . . . . ?
O15 W3 O13 Zn3 162.7(9) . . . 3_666 ?
O15 W3 O14 Zn4 -79(3) . . . . ?
O15 W4 O16 Zn1 -162.1(9) . . . . ?
O15 W4 O16 Zn2 31.0(10) . . . . ?
O17 W4 O16 Zn1 99.8(9) . . . . ?
O17 W4 O16 Zn2 -67.1(11) . . . . ?
O18 W4 O16 Zn1 -82.9(17) . . . . ?
O18 W4 O16 Zn2 110.2(16) . . . . ?
O19 W4 O16 Zn1 -3.4(9) . . . . ?
O19 W4 O16 Zn2 -170.3(10) . . . . ?
O19 W6 O24 Zn1 8.2(8) . . . . ?
O19 W6 O24 Zn3 167.4(9) . . . . ?
O20 W5 O18 W4 168.9(8) . . . . ?
O21 W5 O18 W4 69.0(8) . . . . ?
O21 W6 O24 Zn1 79.6(17) . . . . ?
O21 W6 O24 Zn3 -121.3(14) . . . . ?
O22 W5 O18 W4 -16(2) . . . . ?
O22 W8 O30 Zn4 -35(3) . . . 4_666 ?
O22 W8 O31 W9 15(2) . . . . ?
O23 W6 O24 Zn1 -91.3(9) . . . . ?
O23 W6 O24 Zn3 67.8(10) . . . . ?
O25 W6 O24 Zn1 168.5(9) . . . . ?
O25 W6 O24 Zn3 -32.4(9) . . . . ?
O25 W7 O26 Zn2 -164.5(9) . . . 3_666 ?
O25 W7 O26 Zn3 25.9(10) . . . . ?
O27 W7 O26 Zn2 94.1(9) . . . 3_666 ?
O27 W7 O26 Zn3 -75.5(11) . . . . ?
O28 W7 O26 Zn2 -79.4(18) . . . 3_666 ?
O28 W7 O26 Zn3 111.0(15) . . . . ?
O28 W8 O30 Zn4 55(3) . . . 4_666 ?
O28 W8 O31 W9 -70.6(8) . . . . ?
O29 W7 O26 Zn2 -5.0(9) . . . 3_666 ?
O29 W7 O26 Zn3 -174.6(10) . . . . ?
O29 W9 O32 Zn1 173.9(10) . . . 3_666 ?
O29 W9 O32 Zn2 7.1(9) . . . 3_666 ?
O30 W8 O31 W9 -168.4(8) . . . . ?
O31 W8 O30 Zn4 146(3) . . . 4_666 ?
O31 W9 O32 Zn1 -114.7(14) . . . 3_666 ?
O31 W9 O32 Zn2 78.5(18) . . . 3_666 ?
O33 W9 O32 Zn1 73.5(11) . . . 3_666 ?
O33 W9 O32 Zn2 -93.3(9) . . . 3_666 ?
C1 N1 C2 C3 -6(4) . . . . ?
C1 N2 C3 C2 -2(4) . . . . ?
C1 N2 C4 C5 92(3) . . . . ?
C2 N1 C1 N2 5(3) . . . . ?
C3 N2 C1 N1 -2(4) . . . . ?
C3 N2 C4 C5 -89(4) . . . . ?
C4 N2 C1 N1 177(3) . . . . ?
C4 N2 C3 C2 179(3) . . . . ?
C7 N5 C8 C9 5(4) . . . . ?
C7 N6 C9 C8 0(4) . . . . ?
C7 N6 C10 C11 -115(4) . . . . ?
C8 N5 C7 N6 -5(4) . . . . ?
C9 N6 C7 N5 4(4) . . . . ?
C9 N6 C10 C11 64(5) . . . . ?
C10 N6 C7 N5 -178(3) . . . . ?
C10 N6 C9 C8 -179(3) . . . . ?
C13 N3 C14 C15 -4(3) . . . . ?
C13 N4 C15 C14 -1(3) . . . . ?
C13 N4 C16 C17 57(4) . . . . ?
C14 N3 C13 N4 3(3) . . . . ?
C15 N4 C13 N3 -2(3) . . . . ?
C15 N4 C16 C17 -122(3) . . . . ?
C16 N4 C13 N3 179(2) . . . . ?
C16 N4 C15 C14 178(2) . . . . ?
C19 N7 C20 C21 -3(3) . . . . ?
C19 N8 C21 C20 -4(4) . . . . ?
C19 N8 C22 C23 70(4) . . . . ?
C20 N7 C19 N8 1(4) . . . . ?
C21 N8 C19 N7 2(4) . . . . ?
C21 N8 C22 C23 -114(4) . . . . ?
C22 N8 C19 N7 179(3) . . . . ?
C22 N8 C21 C20 179(3) . . . . ?
C25 N9 C26 C27 -3(3) . . . . ?
C25 N10 C27 C26 -2(3) . . . . ?
C25 N10 C28 C29 135(3) . . . . ?
C26 N9 C25 N10 1(3) . . . . ?
C27 N10 C25 N9 0(3) . . . . ?
C27 N10 C28 C29 -40(5) . . . . ?
C28 N10 C25 N9 -176(2) . . . . ?
C28 N10 C27 C26 174(3) . . . . ?
C31 N11 C32 C33 1(4) . . . . ?
C31 N12 C33 C32 2(4) . . . . ?
C31 N12 C34 C35 100(3) . . . . ?
C32 N11 C31 N12 1(4) . . . . ?
C33 N12 C31 N11 -2(4) . . . . ?
C33 N12 C34 C35 -83(4) . . . . ?
C34 N12 C31 N11 176(3) . . . . ?
C34 N12 C33 C32 -175(3) . . . . ?
C37 N13 C39 C38 -2(4) . . . . ?
C37 N13 C40 C41 -54(6) . . . . ?
C37 N14 C38 C39 -4(4) . . . . ?
C38 N14 C37 N13 3(4) . . . . ?
C39 N13 C37 N14 0(3) . . . . ?
C39 N13 C40 C41 139(3) . . . . ?
C40 N13 C37 N14 -168(4) . . . . ?
C40 N13 C39 C38 171(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
