# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_Zn4O(Azbpdc)3
_database_code_depnum_ccdc_archive 'CCDC 1812300'
_audit_update_record             
;
2017-12-19 deposited with the CCDC.
2018-01-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            Zn4O(Azbpdc)3
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C48 H30 N18 O13 Zn4'
_chemical_formula_weight         1328.38

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'

_symmetry_cell_setting           tricrinic
_symmetry_space_group_name_H-M   p_-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   24.187(3)
_cell_length_b                   24.1807(13)
_cell_length_c                   24.292(2)
_cell_angle_alpha                59.829(5)
_cell_angle_beta                 89.966(7)
_cell_angle_gamma                60.346(4)
_cell_volume                     10075.1(15)
_cell_formula_units_Z            4
_cell_measurement_temperature    273(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    0.876
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2672
_exptl_absorpt_coefficient_mu    0.984
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      273(2)
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            73395
_diffrn_reflns_av_R_equivalents  0.0237
_diffrn_reflns_av_sigmaI/netI    0.0509
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         3.08
_diffrn_reflns_theta_max         27.49
_reflns_number_total             42100
_reflns_number_gt                28883
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1382P)²+18.3323P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         42100
_refine_ls_number_parameters     1175
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1116
_refine_ls_R_factor_gt           0.0791
_refine_ls_wR_factor_ref         0.2686
_refine_ls_wR_factor_gt          0.2364
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_restrained_S_all      1.076
_refine_ls_shift/su_max          0.291
_refine_ls_shift/su_mean         0.012

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.71363(3) 0.42722(3) 0.28640(3) 0.03058(13) Uani 1 1 d . . .
Zn2 Zn 0.72020(3) 0.29087(3) 0.29225(3) 0.03338(13) Uani 1 1 d . . .
Zn3 Zn 0.58311(3) 0.42798(3) 0.27976(3) 0.03358(13) Uani 1 1 d . . .
Zn4 Zn 0.70768(3) 0.30336(3) 0.41690(3) 0.03333(13) Uani 1 1 d . . .
O1 O 0.68101(15) 0.36166(16) 0.31926(15) 0.0271(6) Uani 1 1 d . . .
O2 O 0.7670(2) 0.4085(2) 0.2310(2) 0.0539(10) Uani 1 1 d . . .
C1 C 0.7949(3) 0.3532(3) 0.2254(3) 0.0454(12) Uani 1 1 d . . .
O3 O 0.7859(2) 0.3001(3) 0.2489(2) 0.0608(12) Uani 1 1 d . . .
C2 C 0.8431(3) 0.3509(4) 0.1862(3) 0.0565(16) Uani 1 1 d . . .
C3 C 0.8508(4) 0.4114(4) 0.1544(4) 0.071(2) Uani 1 1 d . . .
H1 H 0.8266 0.4525 0.1586 0.085 Uiso 1 1 calc R . .
C4 C 0.8933(5) 0.4128(5) 0.1166(5) 0.083(3) Uani 1 1 d . . .
C5 C 0.9296(4) 0.3520(5) 0.1103(4) 0.078(2) Uani 1 1 d . . .
C6 C 0.9255(5) 0.2876(5) 0.1468(6) 0.109(4) Uani 1 1 d . . .
H2 H 0.9525 0.2442 0.1461 0.131 Uiso 1 1 calc R . .
C7 C 0.8814(5) 0.2881(5) 0.1836(5) 0.089(3) Uani 1 1 d . . .
H3 H 0.8780 0.2460 0.2064 0.107 Uiso 1 1 calc R . .
C8 C 0.9006(8) 0.4833(9) 0.0846(8) 0.164(6) Uiso 1 1 d . . .
H4 H 0.9345 0.4760 0.0626 0.196 Uiso 1 1 calc R . .
H5 H 0.9131 0.4883 0.1190 0.196 Uiso 1 1 calc R . .
N1 N 0.8238(13) 0.5623(14) 0.0282(12) 0.316(11) Uiso 1 1 d . . .
O4 O 0.6396(2) 0.5361(2) 0.2328(2) 0.0552(11) Uani 1 1 d . . .
C9 C 0.5790(3) 0.5693(3) 0.2053(3) 0.0471(13) Uani 1 1 d . . .
O5 O 0.5488(2) 0.5372(2) 0.2140(2) 0.0612(12) Uani 1 1 d . . .
C10 C 0.5375(3) 0.6572(3) 0.1566(3) 0.0555(16) Uani 1 1 d . . .
C11 C 0.5660(3) 0.6958(3) 0.1494(4) 0.068(2) Uani 1 1 d . . .
H6 H 0.6110 0.6675 0.1741 0.081 Uiso 1 1 calc R . .
C12 C 0.5293(4) 0.7769(4) 0.1059(5) 0.079(2) Uani 1 1 d . . .
C13 C 0.4625(4) 0.8189(3) 0.0704(4) 0.075(2) Uani 1 1 d . . .
C14 C 0.4345(4) 0.7789(4) 0.0749(5) 0.103(4) Uani 1 1 d . . .
H7 H 0.3904 0.8068 0.0480 0.124 Uiso 1 1 calc R . .
C15 C 0.4710(4) 0.6987(4) 0.1184(5) 0.090(3) Uani 1 1 d . . .
H8 H 0.4513 0.6729 0.1221 0.108 Uiso 1 1 calc R . .
C16 C 0.5690(8) 0.8163(9) 0.0963(8) 0.149(5) Uiso 1 1 d . . .
H9 H 0.5404 0.8720 0.0616 0.179 Uiso 1 1 calc R . .
H10 H 0.6088 0.7928 0.0849 0.179 Uiso 1 1 calc R . .
N2 N 0.5890(12) 0.7976(13) 0.1702(12) 0.303(10) Uiso 1 1 d . . .
O6 O 0.7688(2) 0.4069(3) 0.3606(2) 0.0548(10) Uani 1 1 d . . .
C17 C 0.7747(3) 0.3736(3) 0.4211(3) 0.0437(12) Uani 1 1 d . . .
O7 O 0.7512(2) 0.3346(3) 0.4514(2) 0.0624(12) Uani 1 1 d . . .
C18 C 0.8134(3) 0.3808(4) 0.4624(3) 0.0561(15) Uani 1 1 d . . .
C19 C 0.8448(4) 0.4172(4) 0.4337(3) 0.068(2) Uani 1 1 d . . .
H11 H 0.8402 0.4386 0.3883 0.082 Uiso 1 1 calc R . .
C20 C 0.8834(5) 0.4229(5) 0.4703(4) 0.082(2) Uani 1 1 d . . .
C21 C 0.8898(4) 0.3916(5) 0.5377(4) 0.079(2) Uani 1 1 d . . .
C22 C 0.8537(5) 0.3601(7) 0.5658(4) 0.105(3) Uani 1 1 d . . .
H12 H 0.8542 0.3438 0.6097 0.126 Uiso 1 1 calc R . .
C23 C 0.8165(5) 0.3529(6) 0.5288(4) 0.092(3) Uani 1 1 d . . .
H13 H 0.7943 0.3297 0.5486 0.110 Uiso 1 1 calc R . .
C24 C 0.9146(8) 0.4693(9) 0.4301(8) 0.165(6) Uiso 1 1 d . . .
H14 H 0.9343 0.4774 0.4578 0.198 Uiso 1 1 calc R . .
H15 H 0.8803 0.5196 0.3894 0.198 Uiso 1 1 calc R . .
N3 N 0.9746(13) 0.4124(14) 0.4111(12) 0.324(11) Uiso 1 1 d . . .
O8 O 0.6517(2) 0.3089(3) 0.2315(2) 0.0631(12) Uani 1 1 d . . .
C25 C 0.5892(3) 0.3529(3) 0.2135(3) 0.0493(14) Uani 1 1 d . . .
O9 O 0.5563(2) 0.3966(3) 0.2311(2) 0.0610(12) Uani 1 1 d . . .
C26 C 0.5488(3) 0.3518(4) 0.1672(3) 0.0601(17) Uani 1 1 d . . .
C27 C 0.5777(4) 0.3131(6) 0.1395(5) 0.095(3) Uani 1 1 d . . .
H16 H 0.6243 0.2855 0.1500 0.114 Uiso 1 1 calc R . .
C28 C 0.5423(5) 0.3120(6) 0.0966(5) 0.097(3) Uani 1 1 d . . .
C29 C 0.4737(4) 0.3514(5) 0.0815(4) 0.076(2) Uani 1 1 d . . .
C30 C 0.4441(5) 0.3887(7) 0.1101(6) 0.116(4) Uani 1 1 d . . .
H17 H 0.3978 0.4141 0.1013 0.139 Uiso 1 1 calc R . .
C31 C 0.4811(5) 0.3906(6) 0.1532(5) 0.101(3) Uani 1 1 d . . .
H18 H 0.4595 0.4179 0.1716 0.121 Uiso 1 1 calc R . .
C32 C 0.5826(10) 0.2639(11) 0.0666(9) 0.202(7) Uiso 1 1 d . . .
H53 H 0.5578 0.2493 0.0522 0.242 Uiso 1 1 calc R . .
H54 H 0.6271 0.2180 0.0980 0.242 Uiso 1 1 calc R . .
O10 O 0.7685(2) 0.1843(2) 0.3720(2) 0.0606(12) Uani 1 1 d . . .
C33 C 0.7863(3) 0.1558(3) 0.4338(3) 0.0501(14) Uani 1 1 d . . .
O11 O 0.7684(2) 0.1920(2) 0.4599(2) 0.0630(12) Uani 1 1 d . . .
C34 C 0.8328(3) 0.0675(3) 0.4811(3) 0.0599(17) Uani 1 1 d . . .
C35 C 0.8596(5) 0.0314(4) 0.5476(4) 0.090(3) Uani 1 1 d . . .
H19 H 0.8487 0.0612 0.5644 0.108 Uiso 1 1 calc R . .
C36 C 0.9031(5) -0.0495(4) 0.5917(4) 0.094(3) Uani 1 1 d . . .
C37 C 0.9182(4) -0.0936(4) 0.5671(4) 0.076(2) Uani 1 1 d . . .
C38 C 0.8899(6) -0.0563(5) 0.5007(5) 0.118(4) Uani 1 1 d . . .
H20 H 0.8989 -0.0860 0.4839 0.141 Uiso 1 1 calc R . .
C39 C 0.8478(5) 0.0243(4) 0.4561(4) 0.097(3) Uani 1 1 d . . .
H21 H 0.8303 0.0483 0.4103 0.117 Uiso 1 1 calc R . .
C40 C 0.9317(9) -0.0884(9) 0.6706(8) 0.174(6) Uiso 1 1 d . . .
H57 H 0.9470 -0.1425 0.6985 0.209 Uiso 1 1 calc R . .
H58 H 0.8988 -0.0597 0.6852 0.209 Uiso 1 1 calc R . .
O12 O 0.5402(2) 0.4205(3) 0.3482(2) 0.0613(12) Uani 1 1 d . . .
C41 C 0.5662(3) 0.3756(4) 0.4106(3) 0.0523(14) Uani 1 1 d . . .
O13 O 0.6282(2) 0.3251(3) 0.4438(2) 0.0615(12) Uani 1 1 d . . .
C42 C 0.5190(3) 0.3820(4) 0.4510(4) 0.0587(16) Uani 1 1 d . . .
C43 C 0.4522(4) 0.4391(6) 0.4215(5) 0.095(3) Uani 1 1 d . . .
H22 H 0.4352 0.4754 0.3750 0.114 Uiso 1 1 calc R . .
C44 C 0.4086(4) 0.4458(6) 0.4576(5) 0.096(3) Uani 1 1 d . . .
C45 C 0.4323(4) 0.3924(5) 0.5259(4) 0.075(2) Uani 1 1 d . . .
C46 C 0.4994(5) 0.3343(7) 0.5561(5) 0.119(4) Uani 1 1 d . . .
H23 H 0.5160 0.2974 0.6025 0.142 Uiso 1 1 calc R . .
C47 C 0.5439(5) 0.3285(6) 0.5192(5) 0.103(3) Uani 1 1 d . . .
H24 H 0.5896 0.2888 0.5409 0.124 Uiso 1 1 calc R . .
C48 C 0.3290(9) 0.5081(11) 0.4194(10) 0.200(7) Uiso 1 1 d . . .
H55 H 0.3155 0.5167 0.3767 0.240 Uiso 1 1 calc R . .
H56 H 0.3035 0.4932 0.4471 0.240 Uiso 1 1 calc R . .
Zn5 Zn 0.78638(3) 0.57277(3) 0.21364(3) 0.03075(13) Uani 1 1 d . . .
Zn6 Zn 0.79225(3) 0.69667(3) 0.22021(3) 0.03344(13) Uani 1 1 d . . .
Zn7 Zn 0.77974(3) 0.70917(3) 0.08309(3) 0.03322(13) Uani 1 1 d . . .
Zn8 Zn 0.91690(3) 0.57203(3) 0.20774(3) 0.03338(13) Uani 1 1 d . . .
O14 O 0.81911(15) 0.63836(16) 0.18082(15) 0.0274(6) Uani 1 1 d . . .
O15 O 0.7313(2) 0.5931(3) 0.2674(2) 0.0536(10) Uani 1 1 d . . .
C49 C 0.7254(3) 0.6260(3) 0.2952(3) 0.0446(12) Uani 1 1 d . . .
O16 O 0.7487(3) 0.6652(3) 0.2862(2) 0.0637(12) Uani 1 1 d . . .
C50 C 0.6864(3) 0.6192(4) 0.3434(3) 0.0539(14) Uani 1 1 d . . .
C51 C 0.6548(4) 0.5828(4) 0.3514(4) 0.068(2) Uani 1 1 d . . .
H25 H 0.6593 0.5613 0.3275 0.082 Uiso 1 1 calc R . .
C52 C 0.6170(5) 0.5768(5) 0.3933(5) 0.079(2) Uani 1 1 d . . .
C53 C 0.6111(4) 0.6076(5) 0.4304(4) 0.079(2) Uani 1 1 d . . .
C54 C 0.6465(5) 0.6399(7) 0.4257(5) 0.107(4) Uani 1 1 d . . .
H26 H 0.6458 0.6570 0.4527 0.128 Uiso 1 1 calc R . .
C55 C 0.6825(5) 0.6471(6) 0.3817(5) 0.093(3) Uani 1 1 d . . .
H27 H 0.7044 0.6709 0.3779 0.111 Uiso 1 1 calc R . .
C56 C 0.5874(8) 0.5289(9) 0.4006(8) 0.164(6) Uiso 1 1 d . . .
H51 H 0.5676 0.5212 0.4364 0.196 Uiso 1 1 calc R . .
H52 H 0.6228 0.4783 0.4114 0.196 Uiso 1 1 calc R . .
O17 O 0.7330(2) 0.5916(2) 0.1394(2) 0.0528(10) Uani 1 1 d . . .
C57 C 0.7049(3) 0.6466(3) 0.0788(3) 0.0441(12) Uani 1 1 d . . .
O18 O 0.7140(2) 0.7000(2) 0.0490(2) 0.0595(12) Uani 1 1 d . . .
C58 C 0.6567(3) 0.6487(4) 0.0376(3) 0.0557(15) Uani 1 1 d . . .
C59 C 0.6491(4) 0.5890(4) 0.0656(3) 0.069(2) Uani 1 1 d . . .
H30 H 0.6736 0.5477 0.1107 0.083 Uiso 1 1 calc R . .
C60 C 0.6068(5) 0.5873(5) 0.0299(4) 0.079(2) Uani 1 1 d . . .
C61 C 0.5704(4) 0.6486(5) -0.0378(4) 0.080(2) Uani 1 1 d . . .
C62 C 0.5746(5) 0.7123(5) -0.0655(4) 0.107(4) Uani 1 1 d . . .
H31 H 0.5477 0.7556 -0.1096 0.128 Uiso 1 1 calc R . .
C63 C 0.6179(5) 0.7119(5) -0.0287(4) 0.090(3) Uani 1 1 d . . .
H32 H 0.6212 0.7541 -0.0482 0.108 Uiso 1 1 calc R . .
C64 C 0.5974(7) 0.5185(8) 0.0679(7) 0.146(5) Uiso 1 1 d . . .
H33 H 0.5638 0.5259 0.0382 0.175 Uiso 1 1 calc R . .
H34 H 0.5846 0.5138 0.1071 0.175 Uiso 1 1 calc R . .
N5 N 0.6734(13) 0.4416(14) 0.0900(12) 0.320(11) Uiso 1 1 d . . .
O19 O 0.8604(2) 0.4640(2) 0.2688(2) 0.0533(10) Uani 1 1 d . . .
C65 C 0.9209(3) 0.4309(3) 0.2744(3) 0.0453(13) Uani 1 1 d . . .
O20 O 0.9511(2) 0.4627(2) 0.2512(2) 0.0611(12) Uani 1 1 d . . .
C66 C 0.9623(3) 0.3435(3) 0.3137(3) 0.0560(16) Uani 1 1 d . . .
C67 C 0.9336(3) 0.3041(3) 0.3448(4) 0.0652(19) Uani 1 1 d . . .
H35 H 0.8883 0.3324 0.3402 0.078 Uiso 1 1 calc R . .
C68 C 0.9705(4) 0.2234(4) 0.3828(4) 0.080(2) Uani 1 1 d . . .
C69 C 1.0377(4) 0.1813(3) 0.3892(4) 0.078(2) Uani 1 1 d . . .
C70 C 1.0659(4) 0.2209(4) 0.3531(5) 0.104(4) Uani 1 1 d . . .
H36 H 1.1098 0.1931 0.3536 0.125 Uiso 1 1 calc R . .
C71 C 1.0287(4) 0.3015(4) 0.3167(5) 0.089(3) Uani 1 1 d . . .
H37 H 1.0483 0.3274 0.2942 0.107 Uiso 1 1 calc R . .
C72 C 0.9300(8) 0.1857(9) 0.4113(8) 0.152(5) Uiso 1 1 d . . .
H38 H 0.9574 0.1306 0.4299 0.183 Uiso 1 1 calc R . .
H39 H 0.8892 0.2117 0.3764 0.183 Uiso 1 1 calc R . .
N6 N 0.9124(12) 0.1996(14) 0.4711(13) 0.321(11) Uiso 1 1 d . . .
O21 O 0.7313(2) 0.8081(2) 0.1516(2) 0.0635(13) Uani 1 1 d . . .
C73 C 0.7135(3) 0.8442(3) 0.0893(3) 0.0510(14) Uani 1 1 d . . .
O22 O 0.7309(2) 0.8158(2) 0.0562(2) 0.0617(12) Uani 1 1 d . . .
C74 C 0.6672(3) 0.9322(3) 0.0487(4) 0.0612(17) Uani 1 1 d . . .
C75 C 0.3608(5) 1.0304(4) -0.0775(4) 0.096(3) Uani 1 1 d . . .
H40 H 0.3509 1.0601 -0.1240 0.115 Uiso 1 1 calc R . .
C76 C 0.4030(5) 0.9511(4) -0.0423(4) 0.097(3) Uani 1 1 d . . .
C77 C 0.4184(4) 0.9068(4) 0.0261(5) 0.078(2) Uani 1 1 d . . .
C78 C 0.3899(6) 0.9437(5) 0.0552(5) 0.118(4) Uani 1 1 d . . .
H41 H 0.3988 0.9140 0.1015 0.142 Uiso 1 1 calc R . .
C79 C 0.6525(5) 0.9755(4) -0.0190(4) 0.101(3) Uani 1 1 d . . .
H42 H 0.6704 0.9517 -0.0409 0.122 Uiso 1 1 calc R . .
C80 C 0.4272(10) 0.9105(10) -0.0800(9) 0.192(7) Uiso 1 1 d . . .
H59 H 0.4387 0.8578 -0.0529 0.231 Uiso 1 1 calc R . .
H60 H 0.3936 0.9403 -0.1231 0.231 Uiso 1 1 calc R . .
O23 O 0.8721(2) 0.6752(3) 0.2686(2) 0.0614(12) Uani 1 1 d . . .
C81 C 0.9338(3) 0.6238(4) 0.2869(3) 0.0507(14) Uani 1 1 d . . .
O24 O 0.9596(2) 0.5799(3) 0.2684(2) 0.0633(12) Uani 1 1 d . . .
C82 C 0.9810(3) 0.6182(4) 0.3328(3) 0.0596(16) Uani 1 1 d . . .
C83 C 1.0473(4) 0.5619(6) 0.3600(5) 0.091(3) Uani 1 1 d . . .
H43 H 1.0642 0.5254 0.3499 0.109 Uiso 1 1 calc R . .
C84 C 0.9084(4) 0.4445(6) 0.5977(5) 0.098(3) Uani 1 1 d . . .
C85 C 0.9330(4) 0.3920(5) 0.5815(4) 0.076(2) Uani 1 1 d . . .
C86 C 0.9995(5) 0.3338(6) 0.6106(6) 0.113(4) Uani 1 1 d . . .
H44 H 1.0162 0.2957 0.6024 0.136 Uiso 1 1 calc R . .
C87 C 1.0438(5) 0.3288(6) 0.6526(5) 0.105(4) Uani 1 1 d . . .
H45 H 1.0897 0.2896 0.6701 0.126 Uiso 1 1 calc R . .
C88 C 0.8290(10) 0.5046(12) 0.5760(11) 0.222(9) Uiso 1 1 d . . .
H61 H 0.8038 0.4888 0.5642 0.266 Uiso 1 1 calc R . .
H62 H 0.8164 0.5127 0.6106 0.266 Uiso 1 1 calc R . .
O25 O 0.8481(2) 0.6915(3) 0.0406(2) 0.0640(12) Uani 1 1 d . . .
C89 C 0.9105(3) 0.6474(3) 0.0667(3) 0.0510(14) Uani 1 1 d . . .
O26 O 0.9435(2) 0.6033(3) 0.1280(2) 0.0612(11) Uani 1 1 d . . .
C90 C 0.9517(4) 0.6475(4) 0.0191(4) 0.0618(17) Uani 1 1 d . . .
C91 C 0.9213(4) 0.6873(6) -0.0481(4) 0.092(3) Uani 1 1 d . . .
H48 H 0.8748 0.7143 -0.0650 0.111 Uiso 1 1 calc R . .
C92 C 1.0418(5) 0.3116(6) 0.0915(4) 0.097(3) Uani 1 1 d . . .
C93 C 0.9731(4) 0.3521(5) 0.0665(4) 0.076(2) Uani 1 1 d . . .
C94 C 0.9449(5) 0.3888(7) 0.0013(5) 0.114(4) Uani 1 1 d . . .
H49 H 0.8987 0.4140 -0.0154 0.137 Uiso 1 1 calc R . .
C95 C 0.9810(4) 0.3916(6) -0.0439(5) 0.099(3) Uani 1 1 d . . .
H50 H 0.9592 0.4198 -0.0897 0.118 Uiso 1 1 calc R . .
N7 N 0.5310(14) 0.5789(15) 0.3296(13) 0.339(12) Uiso 1 1 d . . .
C96 C 1.0812(10) 0.2596(11) 0.1697(9) 0.200(7) Uiso 1 1 d . . .
H63 H 1.0554 0.2439 0.1966 0.240 Uiso 1 1 calc R . .
H64 H 1.1247 0.2134 0.1826 0.240 Uiso 1 1 calc R . .
N9 N 0.8214(15) 0.5735(18) 0.5167(17) 0.371(14) Uiso 1 1 d . . .
N11 N 1.076(2) 0.408(3) 0.121(2) 0.54(2) Uiso 1 1 d . . .
N8 N 0.5859(16) 0.3382(18) -0.0029(16) 0.402(15) Uiso 1 1 d . . .
N12 N 0.867(2) 0.611(2) 0.465(2) 0.51(2) Uiso 1 1 d . . .
N10 N 1.0889(15) 0.314(2) 0.1779(16) 0.383(15) Uiso 1 1 d . . .
N15 N 0.4883(15) 0.9113(15) -0.0886(13) 0.335(12) Uiso 1 1 d . . .
N13 N 0.371(2) 0.607(2) 0.423(2) 0.51(2) Uiso 1 1 d . . .
N17 N 1.0005(14) -0.0784(15) 0.6696(13) 0.353(13) Uiso 1 1 d . . .
N16 N 0.530(2) 0.950(2) -0.086(2) 0.51(2) Uiso 1 1 d . . .
N14 N 0.3230(15) 0.5751(18) 0.4102(14) 0.367(14) Uiso 1 1 d . . .


_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 O2 1.928(4) . ?
Zn1 O4 1.930(4) . ?
Zn1 O6 1.932(4) . ?
Zn1 O1 1.933(3) . ?
Zn1 Zn4 3.1500(8) . ?
Zn1 Zn2 3.1508(7) . ?
Zn1 Zn3 3.1514(8) . ?
Zn2 O8 1.938(4) . ?
Zn2 O10 1.939(4) . ?
Zn2 O1 1.945(3) . ?
Zn2 O3 1.948(4) . ?
Zn3 O12 1.938(4) . ?
Zn3 O9 1.945(4) . ?
Zn3 O1 1.949(3) . ?
Zn3 O5 1.951(4) . ?
Zn4 O13 1.934(4) . ?
Zn4 O11 1.940(4) . ?
Zn4 O1 1.942(3) . ?
Zn4 O7 1.952(4) . ?
O2 C1 1.246(7) . ?
C1 O3 1.250(7) . ?
C1 C2 1.501(8) . ?
C2 C7 1.368(9) . ?
C2 C3 1.380(9) . ?
C3 C4 1.380(9) . ?
C4 C5 1.380(10) . ?
C4 C8 1.584(16) . ?
C5 C6 1.409(11) . ?
C5 C93 1.496(9) . ?
C6 C7 1.391(10) . ?
C8 N1 1.69(3) . ?
O4 C9 1.238(7) . ?
C9 O5 1.257(7) . ?
C9 C10 1.514(7) . ?
C10 C11 1.359(9) . ?
C10 C15 1.388(9) . ?
C11 C12 1.395(8) . ?
C12 C13 1.374(10) . ?
C12 C16 1.601(16) . ?
C13 C14 1.395(11) . ?
C13 C77 1.507(8) . ?
C14 C15 1.378(9) . ?
C16 N2 1.62(2) . ?
O6 C17 1.236(7) . ?
C17 O7 1.259(7) . ?
C17 C18 1.499(7) . ?
C18 C19 1.372(9) . ?
C18 C23 1.386(10) . ?
C19 C20 1.391(9) . ?
C20 C21 1.383(11) . ?
C20 C24 1.588(17) . ?
C21 C22 1.393(12) . ?
C21 C85 1.500(9) . ?
C22 C23 1.399(10) . ?
C24 N3 1.70(3) . ?
O8 C25 1.245(7) . ?
C25 O9 1.246(7) . ?
C25 C26 1.511(8) . ?
C26 C27 1.343(10) . ?
C26 C31 1.356(11) . ?
C27 C28 1.367(10) . ?
C28 C29 1.371(12) . ?
C28 C32 1.602(19) . ?
C29 C30 1.341(13) . ?
C29 C61 1.507(9) 2_665 ?
C30 C31 1.410(11) . ?
C32 N8 1.78(3) . ?
O10 C33 1.258(7) . ?
C33 O11 1.239(7) . ?
C33 C34 1.517(7) . ?
C34 C35 1.346(10) . ?
C34 C39 1.362(11) . ?
C35 C36 1.392(9) . ?
C36 C37 1.372(12) . ?
C36 C40 1.607(17) . ?
C37 C38 1.347(13) . ?
C37 C69 1.505(8) 2_756 ?
C38 C39 1.387(10) . ?
C40 N17 1.79(3) . ?
O12 C41 1.243(8) . ?
C41 O13 1.262(7) . ?
C41 C42 1.504(8) . ?
C42 C43 1.354(10) . ?
C42 C47 1.363(11) . ?
C43 C44 1.370(10) . ?
C44 C45 1.366(12) . ?
C44 C48 1.600(19) . ?
C45 C46 1.361(13) . ?
C45 C53 1.491(9) 2_666 ?
C46 C47 1.398(11) . ?
C48 N14 1.45(3) . ?
Zn5 O15 1.927(4) . ?
Zn5 O19 1.929(4) . ?
Zn5 O17 1.930(4) . ?
Zn5 O14 1.936(3) . ?
Zn5 Zn6 3.1502(8) . ?
Zn5 Zn7 3.1503(8) . ?
Zn5 Zn8 3.1515(8) . ?
Zn6 O21 1.942(4) . ?
Zn6 O14 1.943(3) . ?
Zn6 O23 1.944(4) . ?
Zn6 O16 1.956(4) . ?
Zn7 O25 1.928(4) . ?
Zn7 O22 1.941(4) . ?
Zn7 O14 1.944(3) . ?
Zn7 O18 1.950(4) . ?
Zn8 O24 1.936(4) . ?
Zn8 O26 1.936(4) . ?
Zn8 O14 1.946(3) . ?
Zn8 O20 1.954(4) . ?
O15 C49 1.241(7) . ?
C49 O16 1.257(7) . ?
C49 C50 1.500(8) . ?
C50 C51 1.375(9) . ?
C50 C55 1.378(10) . ?
C51 C52 1.369(9) . ?
C52 C53 1.400(11) . ?
C52 C56 1.581(17) . ?
C53 C54 1.389(11) . ?
C53 C45 1.491(9) 2_666 ?
C54 C55 1.376(10) . ?
C56 N7 1.60(3) . ?
O17 C57 1.240(7) . ?
C57 O18 1.257(7) . ?
C57 C58 1.501(7) . ?
C58 C59 1.363(9) . ?
C58 C63 1.385(9) . ?
C59 C60 1.372(9) . ?
C60 C61 1.392(11) . ?
C60 C64 1.579(15) . ?
C61 C62 1.396(11) . ?
C61 C29 1.507(9) 2_665 ?
C62 C63 1.371(10) . ?
C64 N5 1.66(2) . ?
O19 C65 1.238(7) . ?
C65 O20 1.251(7) . ?
C65 C66 1.502(7) . ?
C66 C67 1.375(9) . ?
C66 C71 1.388(10) . ?
C67 C68 1.387(8) . ?
C68 C69 1.381(11) . ?
C68 C72 1.586(16) . ?
C69 C70 1.398(11) . ?
C69 C37 1.505(8) 2_756 ?
C70 C71 1.386(9) . ?
C72 N6 1.66(3) . ?
O21 C73 1.239(7) . ?
C73 O22 1.251(7) . ?
C73 C74 1.513(7) . ?
C74 C75 1.340(10) 2_675 ?
C74 C79 1.352(10) . ?
C75 C74 1.340(10) 2_675 ?
C75 C76 1.366(9) . ?
C76 C77 1.366(12) . ?
C76 C80 1.574(18) . ?
C77 C78 1.340(13) . ?
C78 C79 1.390(10) 2_675 ?
C79 C78 1.390(10) 2_675 ?
C80 N15 1.50(3) . ?
O23 C81 1.258(7) . ?
C81 O24 1.243(7) . ?
C81 C82 1.504(8) . ?
C82 C83 1.341(10) . ?
C82 C87 1.351(10) 2_766 ?
C83 C84 1.380(10) 2_766 ?
C84 C85 1.371(12) . ?
C84 C83 1.380(10) 2_766 ?
C84 C88 1.59(2) . ?
C85 C86 1.351(13) . ?
C86 C87 1.398(11) . ?
C87 C82 1.351(10) 2_766 ?
C88 N9 1.47(3) . ?
O25 C89 1.244(8) . ?
C89 O26 1.247(7) . ?
C89 C90 1.525(8) . ?
C90 C95 1.344(11) 2_765 ?
C90 C91 1.362(11) . ?
C91 C92 1.379(10) 2_765 ?
C92 C93 1.373(12) . ?
C92 C91 1.379(10) 2_765 ?
C92 C96 1.586(19) . ?
C93 C94 1.323(13) . ?
C94 C95 1.398(11) . ?
C95 C90 1.344(11) 2_765 ?
C96 N10 1.52(3) . ?
N9 N12 1.85(4) . ?
N11 N10 1.83(4) . ?
N15 N16 1.71(4) . ?
N13 N14 1.80(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 Zn1 O4 108.06(19) . . ?
O2 Zn1 O6 108.3(2) . . ?
O4 Zn1 O6 108.02(19) . . ?
O2 Zn1 O1 110.72(15) . . ?
O4 Zn1 O1 110.86(16) . . ?
O6 Zn1 O1 110.77(15) . . ?
O2 Zn1 Zn4 127.18(12) . . ?
O4 Zn1 Zn4 121.06(14) . . ?
O6 Zn1 Zn4 75.20(13) . . ?
O1 Zn1 Zn4 35.71(9) . . ?
O2 Zn1 Zn2 75.08(12) . . ?
O4 Zn1 Zn2 127.17(13) . . ?
O6 Zn1 Zn2 121.16(13) . . ?
O1 Zn1 Zn2 35.78(9) . . ?
Zn4 Zn1 Zn2 60.846(18) . . ?
O2 Zn1 Zn3 120.92(14) . . ?
O4 Zn1 Zn3 75.11(13) . . ?
O6 Zn1 Zn3 127.19(13) . . ?
O1 Zn1 Zn3 35.89(9) . . ?
Zn4 Zn1 Zn3 60.88(2) . . ?
Zn2 Zn1 Zn3 60.868(18) . . ?
O8 Zn2 O10 109.0(2) . . ?
O8 Zn2 O1 111.56(16) . . ?
O10 Zn2 O1 109.07(16) . . ?
O8 Zn2 O3 108.9(2) . . ?
O10 Zn2 O3 106.5(2) . . ?
O1 Zn2 O3 111.76(16) . . ?
O8 Zn2 Zn1 122.77(14) . . ?
O10 Zn2 Zn1 124.39(14) . . ?
O1 Zn2 Zn1 35.54(9) . . ?
O3 Zn2 Zn1 76.36(13) . . ?
O12 Zn3 O9 109.0(2) . . ?
O12 Zn3 O1 111.56(16) . . ?
O9 Zn3 O1 109.16(16) . . ?
O12 Zn3 O5 108.5(2) . . ?
O9 Zn3 O5 106.4(2) . . ?
O1 Zn3 O5 112.00(16) . . ?
O12 Zn3 Zn1 122.79(15) . . ?
O9 Zn3 Zn1 124.36(14) . . ?
O1 Zn3 Zn1 35.56(9) . . ?
O5 Zn3 Zn1 76.56(13) . . ?
O13 Zn4 O11 109.0(2) . . ?
O13 Zn4 O1 109.24(16) . . ?
O11 Zn4 O1 111.64(16) . . ?
O13 Zn4 O7 106.3(2) . . ?
O11 Zn4 O7 108.5(2) . . ?
O1 Zn4 O7 111.97(16) . . ?
O13 Zn4 Zn1 124.32(14) . . ?
O11 Zn4 Zn1 122.92(15) . . ?
O1 Zn4 Zn1 35.53(9) . . ?
O7 Zn4 Zn1 76.57(13) . . ?
Zn1 O1 Zn4 108.76(14) . . ?
Zn1 O1 Zn2 108.67(15) . . ?
Zn4 O1 Zn2 110.36(14) . . ?
Zn1 O1 Zn3 108.54(13) . . ?
Zn4 O1 Zn3 110.30(15) . . ?
Zn2 O1 Zn3 110.16(15) . . ?
C1 O2 Zn1 131.5(4) . . ?
O2 C1 O3 125.8(5) . . ?
O2 C1 C2 116.8(5) . . ?
O3 C1 C2 117.4(5) . . ?
C1 O3 Zn2 128.8(4) . . ?
C7 C2 C3 119.5(6) . . ?
C7 C2 C1 120.7(6) . . ?
C3 C2 C1 119.8(5) . . ?
C4 C3 C2 121.8(6) . . ?
C3 C4 C5 119.5(7) . . ?
C3 C4 C8 117.8(8) . . ?
C5 C4 C8 122.6(8) . . ?
C4 C5 C6 118.5(6) . . ?
C4 C5 C93 122.3(7) . . ?
C6 C5 C93 119.2(7) . . ?
C7 C6 C5 120.8(7) . . ?
C2 C7 C6 119.6(7) . . ?
C4 C8 N1 104.6(13) . . ?
C9 O4 Zn1 131.4(4) . . ?
O4 C9 O5 126.5(5) . . ?
O4 C9 C10 116.5(5) . . ?
O5 C9 C10 117.0(5) . . ?
C9 O5 Zn3 128.1(4) . . ?
C11 C10 C15 119.7(6) . . ?
C11 C10 C9 119.7(5) . . ?
C15 C10 C9 120.6(6) . . ?
C10 C11 C12 121.7(6) . . ?
C13 C12 C11 119.1(7) . . ?
C13 C12 C16 123.0(8) . . ?
C11 C12 C16 117.8(8) . . ?
C12 C13 C14 119.0(6) . . ?
C12 C13 C77 122.2(7) . . ?
C14 C13 C77 118.8(7) . . ?
C15 C14 C13 121.2(7) . . ?
C14 C15 C10 119.1(7) . . ?
C12 C16 N2 102.0(13) . . ?
C17 O6 Zn1 131.4(4) . . ?
O6 C17 O7 126.4(5) . . ?
O6 C17 C18 116.7(5) . . ?
O7 C17 C18 116.8(5) . . ?
C17 O7 Zn4 128.1(4) . . ?
C19 C18 C23 119.3(6) . . ?
C19 C18 C17 119.6(6) . . ?
C23 C18 C17 121.0(6) . . ?
C18 C19 C20 122.0(7) . . ?
C21 C20 C19 119.0(7) . . ?
C21 C20 C24 124.1(8) . . ?
C19 C20 C24 116.8(9) . . ?
C20 C21 C22 119.2(6) . . ?
C20 C21 C85 122.3(7) . . ?
C22 C21 C85 118.4(7) . . ?
C21 C22 C23 120.9(8) . . ?
C18 C23 C22 119.2(8) . . ?
C20 C24 N3 105.3(13) . . ?
C25 O8 Zn2 129.4(4) . . ?
O8 C25 O9 126.8(5) . . ?
O8 C25 C26 116.8(6) . . ?
O9 C25 C26 116.4(6) . . ?
C25 O9 Zn3 131.9(4) . . ?
C27 C26 C31 118.5(7) . . ?
C27 C26 C25 122.3(7) . . ?
C31 C26 C25 119.2(7) . . ?
C26 C27 C28 123.5(9) . . ?
C27 C28 C29 118.8(8) . . ?
C27 C28 C32 118.7(11) . . ?
C29 C28 C32 122.5(9) . . ?
C30 C29 C28 118.6(7) . . ?
C30 C29 C61 117.4(8) . 2_665 ?
C28 C29 C61 123.8(8) . 2_665 ?
C29 C30 C31 121.9(9) . . ?
C26 C31 C30 118.7(9) . . ?
C28 C32 N8 97.4(15) . . ?
C33 O10 Zn2 131.8(4) . . ?
O11 C33 O10 126.9(5) . . ?
O11 C33 C34 117.1(6) . . ?
O10 C33 C34 115.9(6) . . ?
C33 O11 Zn4 129.1(4) . . ?
C35 C34 C39 119.5(6) . . ?
C35 C34 C33 120.7(6) . . ?
C39 C34 C33 119.7(6) . . ?
C34 C35 C36 121.7(8) . . ?
C37 C36 C35 119.2(8) . . ?
C37 C36 C40 122.1(8) . . ?
C35 C36 C40 118.7(9) . . ?
C38 C37 C36 118.2(7) . . ?
C38 C37 C69 118.3(8) . 2_756 ?
C36 C37 C69 123.5(8) . 2_756 ?
C37 C38 C39 122.9(9) . . ?
C34 C39 C38 118.5(8) . . ?
C36 C40 N17 98.6(13) . . ?
C41 O12 Zn3 129.2(4) . . ?
O12 C41 O13 126.6(6) . . ?
O12 C41 C42 116.9(6) . . ?
O13 C41 C42 116.5(6) . . ?
C41 O13 Zn4 132.1(4) . . ?
C43 C42 C47 118.6(7) . . ?
C43 C42 C41 121.9(7) . . ?
C47 C42 C41 119.4(7) . . ?
C42 C43 C44 122.7(8) . . ?
C45 C44 C43 119.6(8) . . ?
C45 C44 C48 119.5(9) . . ?
C43 C44 C48 120.3(10) . . ?
C46 C45 C44 118.3(7) . . ?
C46 C45 C53 117.7(8) . 2_666 ?
C44 C45 C53 124.0(8) . 2_666 ?
C45 C46 C47 121.9(9) . . ?
C42 C47 C46 118.9(8) . . ?
N14 C48 C44 98.8(18) . . ?
O15 Zn5 O19 108.07(19) . . ?
O15 Zn5 O17 108.4(2) . . ?
O19 Zn5 O17 108.05(19) . . ?
O15 Zn5 O14 110.77(15) . . ?
O19 Zn5 O14 110.82(15) . . ?
O17 Zn5 O14 110.68(15) . . ?
O15 Zn5 Zn6 75.13(12) . . ?
O19 Zn5 Zn6 121.08(14) . . ?
O17 Zn5 Zn6 127.15(12) . . ?
O14 Zn5 Zn6 35.77(9) . . ?
O15 Zn5 Zn7 121.08(13) . . ?
O19 Zn5 Zn7 127.20(13) . . ?
O17 Zn5 Zn7 75.04(12) . . ?
O14 Zn5 Zn7 35.79(9) . . ?
Zn6 Zn5 Zn7 60.839(18) . . ?
O15 Zn5 Zn8 127.11(13) . . ?
O19 Zn5 Zn8 75.12(13) . . ?
O17 Zn5 Zn8 120.92(14) . . ?
O14 Zn5 Zn8 35.84(9) . . ?
Zn6 Zn5 Zn8 60.870(18) . . ?
Zn7 Zn5 Zn8 60.91(2) . . ?
O21 Zn6 O14 111.48(16) . . ?
O21 Zn6 O23 109.0(2) . . ?
O14 Zn6 O23 109.13(16) . . ?
O21 Zn6 O16 108.6(2) . . ?
O14 Zn6 O16 112.03(16) . . ?
O23 Zn6 O16 106.5(2) . . ?
O21 Zn6 Zn5 122.71(15) . . ?
O14 Zn6 Zn5 35.62(9) . . ?
O23 Zn6 Zn5 124.44(14) . . ?
O16 Zn6 Zn5 76.54(13) . . ?
O25 Zn7 O22 109.0(2) . . ?
O25 Zn7 O14 111.35(16) . . ?
O22 Zn7 O14 109.17(16) . . ?
O25 Zn7 O18 109.1(2) . . ?
O22 Zn7 O18 106.2(2) . . ?
O14 Zn7 O18 111.88(16) . . ?
O25 Zn7 Zn5 122.85(14) . . ?
O22 Zn7 Zn5 124.30(15) . . ?
O14 Zn7 Zn5 35.63(9) . . ?
O18 Zn7 Zn5 76.40(13) . . ?
O24 Zn8 O26 109.1(2) . . ?
O24 Zn8 O14 111.50(16) . . ?
O26 Zn8 O14 108.99(16) . . ?
O24 Zn8 O20 108.8(2) . . ?
O26 Zn8 O20 106.4(2) . . ?
O14 Zn8 O20 111.92(16) . . ?
O24 Zn8 Zn5 122.82(15) . . ?
O26 Zn8 Zn5 124.22(15) . . ?
O14 Zn8 Zn5 35.62(9) . . ?
O20 Zn8 Zn5 76.44(13) . . ?
Zn5 O14 Zn6 108.61(15) . . ?
Zn5 O14 Zn7 108.59(15) . . ?
Zn6 O14 Zn7 110.32(14) . . ?
Zn5 O14 Zn8 108.54(13) . . ?
Zn6 O14 Zn8 110.32(15) . . ?
Zn7 O14 Zn8 110.40(15) . . ?
C49 O15 Zn5 131.8(4) . . ?
O15 C49 O16 126.0(5) . . ?
O15 C49 C50 117.0(5) . . ?
O16 C49 C50 117.0(5) . . ?
C49 O16 Zn6 128.2(4) . . ?
C51 C50 C55 118.5(6) . . ?
C51 C50 C49 120.0(6) . . ?
C55 C50 C49 121.4(6) . . ?
C52 C51 C50 122.4(7) . . ?
C51 C52 C53 119.1(7) . . ?
C51 C52 C56 116.7(9) . . ?
C53 C52 C56 124.0(9) . . ?
C54 C53 C52 118.4(6) . . ?
C54 C53 C45 119.2(7) . 2_666 ?
C52 C53 C45 122.3(7) . 2_666 ?
C55 C54 C53 121.0(8) . . ?
C54 C55 C50 120.3(8) . . ?
C52 C56 N7 106.9(14) . . ?
C57 O17 Zn5 131.7(4) . . ?
O17 C57 O18 125.5(5) . . ?
O17 C57 C58 116.9(5) . . ?
O18 C57 C58 117.5(5) . . ?
C57 O18 Zn7 128.7(4) . . ?
C59 C58 C63 118.7(6) . . ?
C59 C58 C57 120.3(6) . . ?
C63 C58 C57 121.0(6) . . ?
C58 C59 C60 122.7(7) . . ?
C59 C60 C61 118.8(7) . . ?
C59 C60 C64 119.0(8) . . ?
C61 C60 C64 122.0(8) . . ?
C60 C61 C62 118.7(6) . . ?
C60 C61 C29 122.0(7) . 2_665 ?
C62 C61 C29 119.3(7) . 2_665 ?
C63 C62 C61 120.9(7) . . ?
C62 C63 C58 119.9(8) . . ?
C60 C64 N5 102.3(13) . . ?
C65 O19 Zn5 131.3(4) . . ?
O19 C65 O20 126.6(5) . . ?
O19 C65 C66 116.7(5) . . ?
O20 C65 C66 116.7(5) . . ?
C65 O20 Zn8 128.1(4) . . ?
C67 C66 C71 118.8(6) . . ?
C67 C66 C65 119.9(6) . . ?
C71 C66 C65 121.2(6) . . ?
C66 C67 C68 121.8(6) . . ?
C69 C68 C67 119.2(7) . . ?
C69 C68 C72 123.9(8) . . ?
C67 C68 C72 116.7(8) . . ?
C68 C69 C70 119.4(6) . . ?
C68 C69 C37 122.2(7) . 2_756 ?
C70 C69 C37 118.4(7) . 2_756 ?
C71 C70 C69 120.2(7) . . ?
C70 C71 C66 120.2(7) . . ?
C68 C72 N6 103.1(13) . . ?
C73 O21 Zn6 129.2(4) . . ?
O21 C73 O22 127.0(5) . . ?
O21 C73 C74 116.8(6) . . ?
O22 C73 C74 116.1(6) . . ?
C73 O22 Zn7 131.9(4) . . ?
C75 C74 C79 118.0(6) 2_675 . ?
C75 C74 C73 122.1(7) 2_675 . ?
C79 C74 C73 119.9(7) . . ?
C74 C75 C76 123.6(8) 2_675 . ?
C77 C76 C75 118.8(8) . . ?
C77 C76 C80 119.9(9) . . ?
C75 C76 C80 120.9(10) . . ?
C78 C77 C76 117.8(7) . . ?
C78 C77 C13 118.1(8) . . ?
C76 C77 C13 124.0(8) . . ?
C77 C78 C79 122.9(9) . 2_675 ?
C74 C79 C78 118.8(8) . 2_675 ?
N15 C80 C76 100.2(16) . . ?
C81 O23 Zn6 131.9(4) . . ?
O24 C81 O23 126.4(5) . . ?
O24 C81 C82 117.2(6) . . ?
O23 C81 C82 116.4(6) . . ?
C81 O24 Zn8 129.6(4) . . ?
C83 C82 C87 118.7(7) . 2_766 ?
C83 C82 C81 121.9(6) . . ?
C87 C82 C81 119.3(6) 2_766 . ?
C82 C83 C84 123.0(8) . 2_766 ?
C85 C84 C83 118.9(8) . 2_766 ?
C85 C84 C88 120.1(10) . . ?
C83 C84 C88 120.5(11) 2_766 . ?
C86 C85 C84 118.0(7) . . ?
C86 C85 C21 118.0(8) . . ?
C84 C85 C21 123.9(8) . . ?
C85 C86 C87 122.3(9) . . ?
C82 C87 C86 118.9(8) 2_766 . ?
N9 C88 C84 98.0(19) . . ?
C89 O25 Zn7 129.5(4) . . ?
O25 C89 O26 126.9(5) . . ?
O25 C89 C90 117.2(6) . . ?
O26 C89 C90 115.9(6) . . ?
C89 O26 Zn8 132.0(4) . . ?
C95 C90 C91 119.6(7) 2_765 . ?
C95 C90 C89 119.5(7) 2_765 . ?
C91 C90 C89 120.9(7) . . ?
C90 C91 C92 121.2(8) . 2_765 ?
C93 C92 C91 119.5(8) . 2_765 ?
C93 C92 C96 122.1(9) . . ?
C91 C92 C96 118.4(11) 2_765 . ?
C94 C93 C92 118.0(7) . . ?
C94 C93 C5 118.9(9) . . ?
C92 C93 C5 122.9(8) . . ?
C93 C94 C95 123.5(9) . . ?
C90 C95 C94 118.1(9) 2_765 . ?
N10 C96 C92 102.9(17) . . ?
C88 N9 N12 145(3) . . ?
C96 N10 N11 136(3) . . ?
C80 N15 N16 145(3) . . ?
C48 N14 N13 143(3) . . ?

_diffrn_measured_fraction_theta_max 0.909
_diffrn_reflns_theta_full        27.49
_diffrn_measured_fraction_theta_full 0.909
_refine_diff_density_max         1.178
_refine_diff_density_min         -0.639
_refine_diff_density_rms         0.127
