# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_AMOF-1
_database_code_depnum_ccdc_archive 'CCDC 1431244'
_audit_update_record             
;
2015-10-14 deposited with the CCDC.
2016-01-04 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C52 H44 N2 O20 Zn3'
_chemical_formula_weight         1213.00

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           Triclinic
_symmetry_space_group_name_H-M   P-1

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

_cell_length_a                   9.4533(19)
_cell_length_b                   18.614(4)
_cell_length_c                   19.976(4)
_cell_angle_alpha                68.27(3)
_cell_angle_beta                 82.61(3)
_cell_angle_gamma                82.18(3)
_cell_volume                     3223.2(11)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            Colourless
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.250
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1240
_exptl_absorpt_coefficient_mu    1.172
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.8531
_exptl_absorpt_correction_T_max  0.9120
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_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            21940
_diffrn_reflns_av_R_equivalents  0.0895
_diffrn_reflns_av_sigmaI/netI    0.1515
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         1.88
_diffrn_reflns_theta_max         25.00
_reflns_number_total             11141
_reflns_number_gt                5987
_reflns_threshold_expression     >2σ(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT  A'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          SQUEEZE

_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)+(0.1534P)²+13.1172P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    noref
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         11141
_refine_ls_number_parameters     752
_refine_ls_number_restraints     121
_refine_ls_R_factor_all          0.1660
_refine_ls_R_factor_gt           0.1105
_refine_ls_wR_factor_ref         0.3304
_refine_ls_wR_factor_gt          0.2956
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_restrained_S_all      1.058
_refine_ls_shift/su_max          0.012
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 1.0265(12) 0.3197(6) 0.3488(6) 0.032(3) Uani 1 1 d . . .
C2 C 1.0566(11) 0.2637(6) 0.4237(5) 0.026(2) Uani 1 1 d . . .
C3 C 1.0309(12) 0.2860(7) 0.4825(7) 0.041(3) Uani 1 1 d . . .
H3 H 0.9946 0.3381 0.4760 0.049 Uiso 1 1 calc R . .
C4 C 1.0566(14) 0.2341(9) 0.5515(7) 0.051(4) Uani 1 1 d . . .
C5 C 1.020(4) 0.285(3) 0.6064(19) 0.046(9) Uani 0.49(4) 1 d PU . 1
O3 O 1.030(2) 0.2365(15) 0.6698(10) 0.042(7) Uani 0.49(4) 1 d PU . 1
O4 O 1.012(2) 0.3552(15) 0.5847(14) 0.046(7) Uani 0.49(4) 1 d PU . 1
C5A C 1.041(4) 0.247(2) 0.619(2) 0.049(9) Uani 0.51(4) 1 d PU . 2
O3A O 1.049(3) 0.185(2) 0.6852(12) 0.077(9) Uani 0.51(4) 1 d PU . 2
O4A O 1.010(3) 0.3188(18) 0.6140(15) 0.048(7) Uani 0.51(4) 1 d PU . 2
C6 C 1.1106(15) 0.1882(8) 0.4321(7) 0.057(4) Uani 1 1 d . . .
H6 H 1.1342 0.1731 0.3912 0.069 Uiso 1 1 calc R . .
C7 C 1.1093(12) 0.1589(9) 0.5600(6) 0.051(4) Uani 1 1 d . . .
H7 H 1.1318 0.1232 0.6064 0.061 Uiso 1 1 calc R . .
C8 C 1.1298(17) 0.1348(7) 0.5013(7) 0.054(4) Uani 1 1 d . . .
C9 C 1.229(2) 0.0340(8) 0.4549(9) 0.078(4) Uani 1 1 d U . .
H9A H 1.2992 0.0678 0.4207 0.094 Uiso 1 1 calc R . .
H9B H 1.1447 0.0371 0.4290 0.094 Uiso 1 1 calc R . .
C10 C 1.295(2) -0.0479(8) 0.4839(10) 0.075(4) Uani 1 1 d U . .
C11 C 1.409(4) -0.0740(16) 0.4567(19) 0.072(6) Uani 0.55(3) 1 d PU . 1
H11 H 1.4489 -0.0379 0.4134 0.086 Uiso 0.55(3) 1 calc PR . 1
C12 C 1.219(3) -0.1043(15) 0.5538(19) 0.075(10) Uani 0.55(3) 1 d PU . 1
H12 H 1.1281 -0.0863 0.5714 0.090 Uiso 0.55(3) 1 calc PR . 1
C13 C 1.480(4) -0.1430(19) 0.479(2) 0.073(10) Uani 0.55(3) 1 d PU . 1
H13 H 1.5670 -0.1555 0.4539 0.088 Uiso 0.55(3) 1 calc PR . 1
C11A C 1.459(4) -0.062(2) 0.493(2) 0.073(11) Uani 0.45(3) 1 d PU . 2
H11A H 1.5214 -0.0223 0.4824 0.087 Uiso 0.45(3) 1 calc PR . 2
C12A C 1.234(4) -0.107(2) 0.493(2) 0.083(13) Uani 0.45(3) 1 d PU . 2
H12A H 1.1520 -0.1024 0.4683 0.099 Uiso 0.45(3) 1 calc PR . 2
C13A C 1.498(5) -0.140(3) 0.518(3) 0.084(14) Uani 0.45(3) 1 d PU . 2
H13A H 1.5987 -0.1546 0.5164 0.101 Uiso 0.45(3) 1 calc PR . 2
C15 C 1.4165(14) -0.1978(7) 0.5430(10) 0.064(5) Uani 1 1 d . . .
C14 C 1.280(4) -0.184(2) 0.594(3) 0.087(16) Uani 0.48(5) 1 d PU . 1
H14 H 1.2459 -0.2191 0.6403 0.105 Uiso 0.48(5) 1 calc PR . 1
C14A C 1.284(3) -0.1802(14) 0.540(2) 0.052(10) Uani 0.52(5) 1 d PU . 2
H14A H 1.2186 -0.2163 0.5688 0.063 Uiso 0.52(5) 1 calc PR . 2
C19 C 1.3241(10) -0.4610(6) 0.6253(5) 0.0237(12) Uani 1 1 d . . .
H19 H 1.2298 -0.4403 0.6123 0.028 Uiso 1 1 calc R A 1
C20 C 1.5978(10) -0.5225(7) 0.6649(5) 0.028(2) Uani 1 1 d . . .
C21 C 1.3564(10) -0.5392(6) 0.6554(5) 0.0237(12) Uani 1 1 d . . .
C22 C 1.4933(10) -0.5712(6) 0.6745(5) 0.0237(12) Uani 1 1 d . . .
H22 H 1.5148 -0.6260 0.6939 0.028 Uiso 1 1 calc R . .
C23 C 1.2428(11) -0.5937(7) 0.6710(6) 0.031(2) Uani 1 1 d . . .
C24 C 1.7473(11) -0.5507(6) 0.6864(5) 0.024(2) Uani 1 1 d . . .
C25 C 1.2586(11) 0.4208(5) 0.1779(5) 0.023(2) Uani 1 1 d . . .
C26 C 1.3700(11) 0.4730(7) 0.1680(6) 0.037(3) Uani 1 1 d . C .
C27 C 1.5091(10) 0.4435(6) 0.1848(5) 0.026(2) Uani 1 1 d . C .
H27 H 1.5327 0.3889 0.2008 0.031 Uiso 1 1 calc R . .
C28 C 1.6160(11) 0.4913(6) 0.1790(5) 0.026(2) Uani 1 1 d . . .
C30 C 1.3390(11) 0.5549(6) 0.1426(5) 0.026(2) Uani 1 1 d . . .
H30 H 1.2452 0.5771 0.1298 0.031 Uiso 1 1 calc R B 1
C32 C 1.7600(12) 0.4611(6) 0.1979(5) 0.031(2) Uani 1 1 d . . .
C34 C 1.4127(14) 0.8081(8) 0.1091(10) 0.095(7) Uani 1 1 d D . .
C36B C 1.208(3) 0.8833(9) 0.1383(14) 0.078(4) Uani 0.60 1 d PD C 1
H36B H 1.1125 0.8839 0.1600 0.094 Uiso 0.60 1 calc PR C 1
C37B C 1.473(3) 0.8757(8) 0.0850(13) 0.078(4) Uani 0.60 1 d PD C 1
H37B H 1.5709 0.8744 0.0665 0.094 Uiso 0.60 1 calc PR C 1
C38B C 1.409(2) 0.9449(12) 0.0848(13) 0.078(4) Uani 0.60 1 d PD C 1
H38B H 1.4605 0.9896 0.0666 0.094 Uiso 0.60 1 calc PR C 1
C39B C 1.270(2) 0.9504(11) 0.1106(11) 0.053(5) Uani 0.60 1 d PD C 1
C40B C 1.186(2) 1.0277(12) 0.1067(11) 0.051(6) Uani 0.60 1 d P C 1
H40A H 1.0922 1.0180 0.1353 0.061 Uiso 0.60 1 calc PR C 1
H40B H 1.2393 1.0553 0.1277 0.061 Uiso 0.60 1 calc PR C 1
C35B C 1.2757(19) 0.8153(13) 0.1366(12) 0.078(4) Uani 0.60 1 d PD C 1
H35B H 1.2246 0.7705 0.1556 0.094 Uiso 0.60 1 calc PR C 1
C36A C 1.212(4) 0.907(2) 0.084(2) 0.078(4) Uani 0.40 1 d PD C 2
H36A H 1.1339 0.9238 0.1113 0.094 Uiso 0.40 1 calc PR C 2
C37A C 1.467(4) 0.869(2) 0.016(3) 0.078(4) Uani 0.40 1 d P C 2
H37A H 1.5462 0.8532 -0.0112 0.094 Uiso 0.40 1 calc PR C 2
C38A C 1.398(4) 0.931(2) -0.008(3) 0.078(4) Uani 0.40 1 d P C 2
H38A H 1.4393 0.9670 -0.0515 0.094 Uiso 0.40 1 calc PR C 2
C39A C 1.265(4) 0.9562(17) 0.0188(17) 0.053(5) Uani 0.40 1 d PD C 2
C40A C 1.183(4) 1.0318(19) -0.0122(18) 0.055(9) Uani 0.40 1 d P C 2
H40C H 1.2327 1.0623 -0.0587 0.066 Uiso 0.40 1 calc PR C 2
H40D H 1.0875 1.0235 -0.0222 0.066 Uiso 0.40 1 calc PR C 2
C35A C 1.270(5) 0.836(2) 0.108(3) 0.078(4) Uani 0.40 1 d P C 2
H35A H 1.2046 0.7971 0.1276 0.094 Uiso 0.40 1 calc PR C 2
C41 C 1.1142(14) 1.1527(7) 0.0109(6) 0.042(3) Uani 1 1 d . C .
C42 C 1.0968(12) 1.1895(6) 0.0631(6) 0.032(3) Uani 1 1 d . . .
H42 H 1.1141 1.1603 0.1121 0.038 Uiso 1 1 calc R . .
C43 C 1.0941(14) 1.1928(7) -0.0581(6) 0.045(3) Uani 1 1 d . . .
H43 H 1.1129 1.1678 -0.0925 0.054 Uiso 1 1 calc R . .
C44 C 1.0545(11) 1.2683(6) 0.0413(5) 0.027(2) Uani 1 1 d . . .
C45 C 1.0454(12) 1.2715(6) -0.0802(5) 0.029(2) Uani 1 1 d . . .
C46 C 1.0337(11) 1.3110(7) -0.0306(5) 0.032(2) Uani 1 1 d . . .
H46 H 1.0119 1.3657 -0.0465 0.038 Uiso 1 1 calc R . .
C47 C 1.0169(11) 1.3139(6) -0.1566(6) 0.030(2) Uani 1 1 d . . .
C48 C 1.0379(10) 1.3079(6) 0.0947(5) 0.024(2) Uani 1 1 d . . .
C100 C 1.671(2) 0.3151(19) 0.0574(15) 0.165(13) Uani 1 1 d . . .
H10A H 1.7231 0.3411 0.0798 0.248 Uiso 1 1 calc R . .
H10B H 1.6550 0.3495 0.0077 0.248 Uiso 1 1 calc R . .
H10C H 1.7273 0.2670 0.0569 0.248 Uiso 1 1 calc R . .
N1 N 1.613(4) 0.1801(15) 0.6739(16) 0.235(10) Uani 1 1 d . . .
H1A H 1.5344 0.1623 0.6647 0.282 Uiso 1 1 calc R . .
H1B H 1.5918 0.1843 0.7186 0.282 Uiso 1 1 calc R . .
C202 C 1.442(3) 0.2547(18) 0.0795(15) 0.177(15) Uani 1 1 d . . .
H20A H 1.3587 0.2450 0.1150 0.265 Uiso 1 1 calc R . .
H20B H 1.4931 0.2051 0.0798 0.265 Uiso 1 1 calc R . .
H20C H 1.4112 0.2849 0.0312 0.265 Uiso 1 1 calc R . .
C124 C 1.617(5) 0.2606(18) 0.622(2) 0.235(10) Uani 1 1 d . . .
H12G H 1.5250 0.2904 0.6261 0.352 Uiso 1 1 calc R . .
H12B H 1.6362 0.2602 0.5725 0.352 Uiso 1 1 calc R . .
H12C H 1.6937 0.2848 0.6322 0.352 Uiso 1 1 calc R . .
N2 N 1.5359(16) 0.2971(13) 0.0979(10) 0.121(7) Uani 1 1 d . . .
H2A H 1.5544 0.2700 0.1453 0.145 Uiso 1 1 calc R . .
H2B H 1.4855 0.3435 0.0964 0.145 Uiso 1 1 calc R . .
O1 O 1.0391(9) 0.2926(4) 0.2996(4) 0.0398(19) Uani 1 1 d . . .
O2 O 0.9935(8) 0.3894(4) 0.3421(4) 0.0387(19) Uani 1 1 d . . .
O5 O 1.1870(13) 0.0587(5) 0.5149(5) 0.074(3) Uani 1 1 d . . .
O6 O 1.3887(8) -0.3331(4) 0.5828(5) 0.031(2) Uani 0.84 1 d P . 1
C16 C 1.4925(16) -0.2808(8) 0.5768(10) 0.073(5) Uani 1 1 d . . 1
H16A H 1.5783 -0.2889 0.5453 0.088 Uiso 1 1 calc R . 1
H16B H 1.5226 -0.2891 0.6250 0.088 Uiso 1 1 calc R . 1
C17 C 1.4330(11) -0.4102(6) 0.6133(6) 0.031(2) Uani 1 1 d . . 1
C18 C 1.5668(10) -0.4419(6) 0.6364(5) 0.026(2) Uani 1 1 d . . 1
H18 H 1.6378 -0.4089 0.6328 0.031 Uiso 1 1 calc R . 1
O6A O 1.641(4) -0.341(2) 0.630(2) 0.026(9) Uiso 0.16 1 d P D 2
O7 O 1.8210(8) -0.5021(4) 0.6916(4) 0.0316(17) Uani 1 1 d . . .
O8 O 1.7881(8) -0.6227(4) 0.6997(4) 0.0315(17) Uani 1 1 d . . .
O9 O 1.1106(7) -0.5644(4) 0.6712(4) 0.0281(16) Uani 1 1 d . . .
O10 O 1.2733(8) -0.6637(5) 0.6844(5) 0.048(2) Uani 1 1 d . . .
O11 O 1.1229(7) 0.4474(4) 0.1863(4) 0.0297(16) Uani 1 1 d . . .
O12 O 1.2883(8) 0.3549(5) 0.1795(5) 0.042(2) Uani 1 1 d . . .
O13 O 1.8065(7) 0.3919(4) 0.1984(4) 0.0310(17) Uani 1 1 d . . .
O14 O 1.8303(8) 0.5030(4) 0.2154(4) 0.0318(17) Uani 1 1 d . . .
C29 C 1.5807(11) 0.5715(6) 0.1528(6) 0.027(2) Uani 1 1 d . C 1
H29 H 1.6522 0.6053 0.1464 0.033 Uiso 1 1 calc R C 1
C31 C 1.4422(11) 0.6023(6) 0.1362(5) 0.027(2) Uani 1 1 d . C 1
C33 C 1.4946(13) 0.7329(6) 0.1185(8) 0.047(3) Uani 1 1 d . C 1
H33A H 1.5777 0.7394 0.0819 0.056 Uiso 1 1 calc R C 1
H33B H 1.5307 0.7103 0.1671 0.056 Uiso 1 1 calc R C 1
O15 O 1.4004(8) 0.6823(4) 0.1101(4) 0.0214(17) Uani 0.84 1 d P C 1
O15A O 1.653(5) 0.640(3) 0.138(2) 0.031(10) Uiso 0.16 1 d P E 2
O16 O 1.1643(12) 1.0740(5) 0.0340(4) 0.059(3) Uani 1 1 d . . .
O17 O 1.0265(8) 1.2778(4) -0.1990(4) 0.0339(18) Uani 1 1 d . . .
O18 O 0.9801(7) 1.3866(4) -0.1758(4) 0.0297(17) Uani 1 1 d . . .
O19 O 1.0269(8) 1.3814(5) 0.0738(4) 0.0390(19) Uani 1 1 d . . .
O20 O 1.0360(8) 1.2665(4) 0.1624(4) 0.0344(18) Uani 1 1 d . . .
Zn1 Zn 1.01452(13) 0.35778(7) 0.19738(6) 0.0272(3) Uani 1 1 d . . .
Zn2 Zn 1.00925(12) 0.50161(7) 0.25834(6) 0.0265(3) Uani 1 1 d . . .
Zn3 Zn 0.99978(12) -0.66033(7) 0.70035(6) 0.0260(3) Uani 1 1 d . . .
C125 C 1.730(5) 0.1147(17) 0.6840(19) 0.235(10) Uani 1 1 d . . .
H12D H 1.6962 0.0674 0.7213 0.352 Uiso 1 1 calc R . .
H12E H 1.8142 0.1280 0.6991 0.352 Uiso 1 1 calc R . .
H12F H 1.7550 0.1059 0.6383 0.352 Uiso 1 1 calc R . .


_geom_special_details            
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s 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
C1 O1 1.249(12) . ?
C1 O2 1.252(13) . ?
C1 C2 1.509(14) . ?
C2 C3 1.368(14) . ?
C2 C6 1.385(17) . ?
C3 C4 1.389(18) . ?
C3 H3 0.9500 . ?
C4 C7 1.38(2) . ?
C4 C5A 1.44(4) . ?
C4 C5 1.67(5) . ?
C5 O4 1.21(5) . ?
C5 O3 1.26(4) . ?
C5 Zn3 2.42(4) 1_565 ?
O3 Zn3 2.19(2) 1_565 ?
O4 Zn3 2.21(2) 1_565 ?
C5A O4A 1.30(4) . ?
C5A O3A 1.40(4) . ?
O4A Zn3 1.89(2) 1_565 ?
C6 C8 1.389(17) . ?
C6 H6 0.9500 . ?
C7 C8 1.386(18) . ?
C7 H7 0.9500 . ?
C8 O5 1.384(15) . ?
C9 O5 1.428(19) . ?
C9 C10 1.494(19) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C12A 1.26(3) . ?
C10 C11 1.26(3) . ?
C10 C11A 1.56(4) . ?
C10 C12 1.56(3) . ?
C11 C13 1.31(4) . ?
C11 H11 0.9500 . ?
C12 C14 1.48(5) . ?
C12 H12 0.9500 . ?
C13 C15 1.43(4) . ?
C13 H13 0.9500 . ?
C11A C13A 1.37(5) . ?
C11A H11A 0.9500 . ?
C12A C14A 1.39(5) . ?
C12A H12A 0.9500 . ?
C13A C15 1.32(4) . ?
C13A H13A 0.9500 . ?
C15 C14A 1.26(3) . ?
C15 C16 1.552(17) . ?
C15 C14 1.60(5) . ?
C14 H14 0.9500 . ?
C14A H14A 0.9500 . ?
C19 C21 1.359(14) . ?
C19 C17 1.430(14) . ?
C19 H19 0.9500 . ?
C20 C22 1.378(14) . ?
C20 C18 1.398(15) . ?
C20 C24 1.498(14) . ?
C21 C22 1.388(13) . ?
C21 C23 1.503(14) . ?
C22 H22 0.9500 . ?
C23 O10 1.229(13) . ?
C23 O9 1.294(12) . ?
C24 O7 1.256(12) . ?
C24 O8 1.279(12) . ?
C25 O12 1.211(12) . ?
C25 O11 1.324(12) . ?
C25 C26 1.475(15) . ?
C26 C27 1.386(14) . ?
C26 C30 1.418(15) . ?
C27 C28 1.401(14) . ?
C27 H27 0.9500 . ?
C28 C29 1.395(14) . ?
C28 C32 1.442(14) . ?
C30 C31 1.365(14) . ?
C30 H30 0.9500 . ?
C32 O14 1.254(12) . ?
C32 O13 1.299(13) . ?
C34 C35B 1.349(11) . ?
C34 C37B 1.350(11) . ?
C34 C35A 1.38(5) . ?
C34 C33 1.464(17) . ?
C34 C37A 1.83(4) . ?
C36B C39B 1.347(11) . ?
C36B C35B 1.348(11) . ?
C36B H36B 0.9500 . ?
C37B C38B 1.347(11) . ?
C37B H37B 0.9500 . ?
C38B C39B 1.349(11) . ?
C38B H38B 0.9500 . ?
C39B C40B 1.53(3) . ?
C40B O16 1.41(2) . ?
C40B H40A 0.9900 . ?
C40B H40B 0.9900 . ?
C35B H35B 0.9500 . ?
C36A C35A 1.29(5) . ?
C36A C39A 1.369(19) . ?
C36A H36A 0.9500 . ?
C37A C38A 1.20(5) . ?
C37A H37A 0.9500 . ?
C38A C39A 1.40(5) . ?
C38A H38A 0.9500 . ?
C39A C40A 1.47(4) . ?
C40A O16 1.40(3) . ?
C40A H40C 0.9900 . ?
C40A H40D 0.9900 . ?
C35A H35A 0.9500 . ?
C41 C43 1.326(16) . ?
C41 O16 1.397(13) . ?
C41 C42 1.428(15) . ?
C42 C44 1.382(15) . ?
C42 H42 0.9500 . ?
C43 C45 1.394(16) . ?
C43 H43 0.9500 . ?
C44 C46 1.385(14) . ?
C44 C48 1.488(13) . ?
C45 C46 1.422(14) . ?
C45 C47 1.478(15) . ?
C46 H46 0.9500 . ?
C47 O17 1.249(12) . ?
C47 O18 1.273(12) . ?
C48 O19 1.267(12) . ?
C48 O20 1.283(12) . ?
C48 Zn1 2.521(10) 1_565 ?
C100 N2 1.43(2) . ?
C100 H10A 0.9800 . ?
C100 H10B 0.9800 . ?
C100 H10C 0.9800 . ?
N1 C124 1.48(3) . ?
N1 C125 1.50(4) . ?
N1 H1A 0.9200 . ?
N1 H1B 0.9200 . ?
C202 N2 1.42(2) . ?
C202 H20A 0.9800 . ?
C202 H20B 0.9800 . ?
C202 H20C 0.9800 . ?
C124 H12G 0.9800 . ?
C124 H12B 0.9800 . ?
C124 H12C 0.9800 . ?
N2 H2A 0.9200 . ?
N2 H2B 0.9200 . ?
O1 Zn1 1.977(7) . ?
O2 Zn2 2.149(8) . ?
O6 C17 1.364(13) . ?
O6 C16 1.437(16) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C18 1.380(14) . ?
C18 H18 0.9500 . ?
O7 Zn2 1.999(7) 2_856 ?
O8 Zn3 2.028(7) 1_655 ?
O9 Zn3 2.051(6) . ?
O9 Zn2 2.253(7) 2_756 ?
O11 Zn1 2.005(7) . ?
O11 Zn2 2.150(7) . ?
O13 Zn1 1.982(7) 1_655 ?
O14 Zn2 1.986(8) 1_655 ?
C29 C31 1.385(14) . ?
C29 H29 0.9500 . ?
C31 O15 1.401(12) . ?
C33 O15 1.446(13) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
O17 Zn3 1.941(7) 1_574 ?
O18 Zn2 2.129(7) 2_775 ?
O19 Zn1 2.331(7) 1_565 ?
O20 Zn1 2.041(7) 1_565 ?
Zn1 O13 1.982(7) 1_455 ?
Zn1 O20 2.041(7) 1_545 ?
Zn1 O19 2.331(7) 1_545 ?
Zn1 C48 2.521(10) 1_545 ?
Zn2 O14 1.986(8) 1_455 ?
Zn2 O7 1.999(7) 2_856 ?
Zn2 O18 2.129(7) 2_775 ?
Zn2 O9 2.253(7) 2_756 ?
Zn3 O4A 1.89(2) 1_545 ?
Zn3 O17 1.941(7) 1_536 ?
Zn3 O8 2.028(7) 1_455 ?
Zn3 O3 2.19(2) 1_545 ?
Zn3 O4 2.21(2) 1_545 ?
Zn3 C5 2.42(4) 1_545 ?
C125 H12D 0.9800 . ?
C125 H12E 0.9800 . ?
C125 H12F 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 C1 O2 126.4(10) . . ?
O1 C1 C2 117.1(9) . . ?
O2 C1 C2 116.5(9) . . ?
C3 C2 C6 120.0(11) . . ?
C3 C2 C1 121.5(10) . . ?
C6 C2 C1 118.5(9) . . ?
C2 C3 C4 121.4(12) . . ?
C2 C3 H3 119.3 . . ?
C4 C3 H3 119.3 . . ?
C7 C4 C3 118.6(11) . . ?
C7 C4 C5A 112(2) . . ?
C3 C4 C5A 130(2) . . ?
C7 C4 C5 135.0(18) . . ?
C3 C4 C5 106.4(17) . . ?
C5A C4 C5 23.4(15) . . ?
O4 C5 O3 129(4) . . ?
O4 C5 C4 123(3) . . ?
O3 C5 C4 106(3) . . ?
O4 C5 Zn3 65(2) . 1_565 ?
O3 C5 Zn3 64(2) . 1_565 ?
C4 C5 Zn3 169(2) . 1_565 ?
C5 O3 Zn3 84(2) . 1_565 ?
C5 O4 Zn3 85(2) . 1_565 ?
O4A C5A O3A 123(3) . . ?
O4A C5A C4 115(3) . . ?
O3A C5A C4 122(3) . . ?
C5A O4A Zn3 117(2) . 1_565 ?
C2 C6 C8 119.0(12) . . ?
C2 C6 H6 120.5 . . ?
C8 C6 H6 120.5 . . ?
C4 C7 C8 120.5(12) . . ?
C4 C7 H7 119.7 . . ?
C8 C7 H7 119.7 . . ?
C7 C8 O5 116.2(11) . . ?
C7 C8 C6 120.1(12) . . ?
O5 C8 C6 123.1(12) . . ?
O5 C9 C10 107.6(13) . . ?
O5 C9 H9A 110.2 . . ?
C10 C9 H9A 110.2 . . ?
O5 C9 H9B 110.2 . . ?
C10 C9 H9B 110.2 . . ?
H9A C9 H9B 108.5 . . ?
C12A C10 C11 92(3) . . ?
C12A C10 C9 126(2) . . ?
C11 C10 C9 125(2) . . ?
C12A C10 C11A 116(3) . . ?
C11 C10 C11A 40.6(19) . . ?
C9 C10 C11A 117.9(19) . . ?
C12A C10 C12 50(2) . . ?
C11 C10 C12 118(2) . . ?
C9 C10 C12 117.2(18) . . ?
C11A C10 C12 108(2) . . ?
C10 C11 C13 130(3) . . ?
C10 C11 H11 114.8 . . ?
C13 C11 H11 114.8 . . ?
C14 C12 C10 124(3) . . ?
C14 C12 H12 118.1 . . ?
C10 C12 H12 118.1 . . ?
C11 C13 C15 114(3) . . ?
C11 C13 H13 122.8 . . ?
C15 C13 H13 122.8 . . ?
C13A C11A C10 109(3) . . ?
C13A C11A H11A 125.7 . . ?
C10 C11A H11A 125.7 . . ?
C10 C12A C14A 121(4) . . ?
C10 C12A H12A 119.4 . . ?
C14A C12A H12A 119.4 . . ?
C15 C13A C11A 129(4) . . ?
C15 C13A H13A 115.5 . . ?
C11A C13A H13A 115.5 . . ?
C14A C15 C13A 117(3) . . ?
C14A C15 C13 105(2) . . ?
C13A C15 C13 35(2) . . ?
C14A C15 C16 126.2(15) . . ?
C13A C15 C16 117(2) . . ?
C13 C15 C16 120.1(18) . . ?
C14A C15 C14 41.7(18) . . ?
C13A C15 C14 114(3) . . ?
C13 C15 C14 129(2) . . ?
C16 C15 C14 111(2) . . ?
C12 C14 C15 104(4) . . ?
C12 C14 H14 128.2 . . ?
C15 C14 H14 128.2 . . ?
C15 C14A C12A 119(2) . . ?
C15 C14A H14A 120.3 . . ?
C12A C14A H14A 120.3 . . ?
C21 C19 C17 119.6(9) . . ?
C21 C19 H19 120.2 . . ?
C17 C19 H19 120.2 . . ?
C22 C20 C18 120.6(9) . . ?
C22 C20 C24 123.6(10) . . ?
C18 C20 C24 115.7(9) . . ?
C19 C21 C22 121.6(9) . . ?
C19 C21 C23 120.7(9) . . ?
C22 C21 C23 117.7(9) . . ?
C20 C22 C21 119.1(10) . . ?
C20 C22 H22 120.4 . . ?
C21 C22 H22 120.4 . . ?
O10 C23 O9 121.0(10) . . ?
O10 C23 C21 121.7(9) . . ?
O9 C23 C21 117.3(9) . . ?
O7 C24 O8 125.4(10) . . ?
O7 C24 C20 117.1(9) . . ?
O8 C24 C20 117.4(9) . . ?
O12 C25 O11 119.9(9) . . ?
O12 C25 C26 121.9(10) . . ?
O11 C25 C26 118.2(9) . . ?
C27 C26 C30 117.4(10) . . ?
C27 C26 C25 121.0(10) . . ?
C30 C26 C25 121.6(10) . . ?
C26 C27 C28 122.5(10) . . ?
C26 C27 H27 118.8 . . ?
C28 C27 H27 118.8 . . ?
C29 C28 C27 117.9(9) . . ?
C29 C28 C32 119.1(9) . . ?
C27 C28 C32 122.9(10) . . ?
C31 C30 C26 120.9(10) . . ?
C31 C30 H30 119.6 . . ?
C26 C30 H30 119.6 . . ?
O14 C32 O13 124.4(10) . . ?
O14 C32 C28 117.0(10) . . ?
O13 C32 C28 118.5(10) . . ?
C35B C34 C37B 112.4(18) . . ?
C35B C34 C35A 24(2) . . ?
C37B C34 C35A 100(2) . . ?
C35B C34 C33 123.2(13) . . ?
C37B C34 C33 123.2(13) . . ?
C35A C34 C33 136(2) . . ?
C35B C34 C37A 120.1(17) . . ?
C37B C34 C37A 50.8(16) . . ?
C35A C34 C37A 96(2) . . ?
C33 C34 C37A 104.1(16) . . ?
C39B C36B C35B 123(2) . . ?
C39B C36B H36B 118.7 . . ?
C35B C36B H36B 118.7 . . ?
C38B C37B C34 126(2) . . ?
C38B C37B H37B 116.8 . . ?
C34 C37B H37B 116.8 . . ?
C37B C38B C39B 119(2) . . ?
C37B C38B H38B 120.3 . . ?
C39B C38B H38B 120.3 . . ?
C36B C39B C38B 116(2) . . ?
C36B C39B C40B 121.3(17) . . ?
C38B C39B C40B 122.7(16) . . ?
O16 C40B C39B 109.9(15) . . ?
O16 C40B H40A 109.7 . . ?
C39B C40B H40A 109.7 . . ?
O16 C40B H40B 109.7 . . ?
C39B C40B H40B 109.7 . . ?
H40A C40B H40B 108.2 . . ?
C36B C35B C34 123(2) . . ?
C36B C35B H35B 118.5 . . ?
C34 C35B H35B 118.5 . . ?
C35A C36A C39A 119(4) . . ?
C35A C36A H36A 120.7 . . ?
C39A C36A H36A 120.7 . . ?
C38A C37A C34 117(4) . . ?
C38A C37A H37A 121.7 . . ?
C34 C37A H37A 121.7 . . ?
C37A C38A C39A 128(4) . . ?
C37A C38A H38A 115.9 . . ?
C39A C38A H38A 115.9 . . ?
C36A C39A C38A 116(3) . . ?
C36A C39A C40A 117(3) . . ?
C38A C39A C40A 127(3) . . ?
O16 C40A C39A 112(3) . . ?
O16 C40A H40C 109.2 . . ?
C39A C40A H40C 109.2 . . ?
O16 C40A H40D 109.2 . . ?
C39A C40A H40D 109.2 . . ?
H40C C40A H40D 107.9 . . ?
C36A C35A C34 129(4) . . ?
C36A C35A H35A 115.3 . . ?
C34 C35A H35A 115.3 . . ?
C43 C41 O16 121.0(11) . . ?
C43 C41 C42 121.4(11) . . ?
O16 C41 C42 117.4(10) . . ?
C44 C42 C41 119.0(10) . . ?
C44 C42 H42 120.5 . . ?
C41 C42 H42 120.5 . . ?
C41 C43 C45 120.1(11) . . ?
C41 C43 H43 119.9 . . ?
C45 C43 H43 119.9 . . ?
C42 C44 C46 120.2(9) . . ?
C42 C44 C48 119.8(9) . . ?
C46 C44 C48 119.9(10) . . ?
C43 C45 C46 119.8(10) . . ?
C43 C45 C47 119.1(9) . . ?
C46 C45 C47 121.0(9) . . ?
C44 C46 C45 118.9(10) . . ?
C44 C46 H46 120.5 . . ?
C45 C46 H46 120.5 . . ?
O17 C47 O18 122.9(10) . . ?
O17 C47 C45 119.7(9) . . ?
O18 C47 C45 117.3(9) . . ?
O19 C48 O20 120.4(9) . . ?
O19 C48 C44 120.6(9) . . ?
O20 C48 C44 119.0(9) . . ?
O19 C48 Zn1 66.7(5) . 1_565 ?
O20 C48 Zn1 53.7(5) . 1_565 ?
C44 C48 Zn1 172.6(7) . 1_565 ?
N2 C100 H10A 109.5 . . ?
N2 C100 H10B 109.5 . . ?
H10A C100 H10B 109.5 . . ?
N2 C100 H10C 109.5 . . ?
H10A C100 H10C 109.5 . . ?
H10B C100 H10C 109.5 . . ?
C124 N1 C125 127(4) . . ?
C124 N1 H1A 105.5 . . ?
C125 N1 H1A 105.5 . . ?
C124 N1 H1B 105.5 . . ?
C125 N1 H1B 105.5 . . ?
H1A N1 H1B 106.1 . . ?
N2 C202 H20A 109.5 . . ?
N2 C202 H20B 109.5 . . ?
H20A C202 H20B 109.5 . . ?
N2 C202 H20C 109.5 . . ?
H20A C202 H20C 109.5 . . ?
H20B C202 H20C 109.5 . . ?
N1 C124 H12G 109.5 . . ?
N1 C124 H12B 109.5 . . ?
H12G C124 H12B 109.5 . . ?
N1 C124 H12C 109.5 . . ?
H12G C124 H12C 109.5 . . ?
H12B C124 H12C 109.5 . . ?
C202 N2 C100 121.0(18) . . ?
C202 N2 H2A 107.1 . . ?
C100 N2 H2A 107.1 . . ?
C202 N2 H2B 107.1 . . ?
C100 N2 H2B 107.1 . . ?
H2A N2 H2B 106.8 . . ?
C1 O1 Zn1 122.9(7) . . ?
C1 O2 Zn2 137.4(7) . . ?
C8 O5 C9 118.5(10) . . ?
C17 O6 C16 115.4(9) . . ?
O6 C16 C15 105.7(11) . . ?
O6 C16 H16A 110.6 . . ?
C15 C16 H16A 110.6 . . ?
O6 C16 H16B 110.6 . . ?
C15 C16 H16B 110.6 . . ?
H16A C16 H16B 108.7 . . ?
O6 C17 C18 126.6(9) . . ?
O6 C17 C19 114.6(9) . . ?
C18 C17 C19 118.7(9) . . ?
C17 C18 C20 120.1(9) . . ?
C17 C18 H18 120.0 . . ?
C20 C18 H18 120.0 . . ?
C24 O7 Zn2 138.3(7) . 2_856 ?
C24 O8 Zn3 120.2(6) . 1_655 ?
C23 O9 Zn3 102.7(6) . . ?
C23 O9 Zn2 129.1(6) . 2_756 ?
Zn3 O9 Zn2 101.5(3) . 2_756 ?
C25 O11 Zn1 103.6(6) . . ?
C25 O11 Zn2 132.9(6) . . ?
Zn1 O11 Zn2 106.0(3) . . ?
C32 O13 Zn1 120.6(7) . 1_655 ?
C32 O14 Zn2 142.4(7) . 1_655 ?
C31 C29 C28 120.6(9) . . ?
C31 C29 H29 119.7 . . ?
C28 C29 H29 119.7 . . ?
C30 C31 C29 120.7(10) . . ?
C30 C31 O15 116.2(9) . . ?
C29 C31 O15 123.0(9) . . ?
O15 C33 C34 107.9(11) . . ?
O15 C33 H33A 110.1 . . ?
C34 C33 H33A 110.1 . . ?
O15 C33 H33B 110.1 . . ?
C34 C33 H33B 110.1 . . ?
H33A C33 H33B 108.4 . . ?
C31 O15 C33 117.5(9) . . ?
C40A O16 C41 122.3(16) . . ?
C40A O16 C40B 113.6(17) . . ?
C41 O16 C40B 123.8(11) . . ?
C47 O17 Zn3 116.6(7) . 1_574 ?
C47 O18 Zn2 147.2(7) . 2_775 ?
C48 O19 Zn1 83.3(6) . 1_565 ?
C48 O20 Zn1 95.9(6) . 1_565 ?
O1 Zn1 O13 103.1(3) . 1_455 ?
O1 Zn1 O11 100.6(3) . . ?
O13 Zn1 O11 109.1(3) 1_455 . ?
O1 Zn1 O20 94.9(3) . 1_545 ?
O13 Zn1 O20 104.6(3) 1_455 1_545 ?
O11 Zn1 O20 138.3(3) . 1_545 ?
O1 Zn1 O19 154.3(3) . 1_545 ?
O13 Zn1 O19 90.7(3) 1_455 1_545 ?
O11 Zn1 O19 95.0(3) . 1_545 ?
O20 Zn1 O19 60.4(3) 1_545 1_545 ?
O1 Zn1 C48 125.0(3) . 1_545 ?
O13 Zn1 C48 98.8(3) 1_455 1_545 ?
O11 Zn1 C48 118.6(3) . 1_545 ?
O20 Zn1 C48 30.4(3) 1_545 1_545 ?
O19 Zn1 C48 29.9(3) 1_545 1_545 ?
O14 Zn2 O7 175.2(3) 1_455 2_856 ?
O14 Zn2 O18 83.3(3) 1_455 2_775 ?
O7 Zn2 O18 97.8(3) 2_856 2_775 ?
O14 Zn2 O2 95.7(3) 1_455 . ?
O7 Zn2 O2 83.1(3) 2_856 . ?
O18 Zn2 O2 178.7(3) 2_775 . ?
O14 Zn2 O11 88.3(3) 1_455 . ?
O7 Zn2 O11 96.4(3) 2_856 . ?
O18 Zn2 O11 90.8(3) 2_775 . ?
O2 Zn2 O11 90.0(3) . . ?
O14 Zn2 O9 90.9(3) 1_455 2_756 ?
O7 Zn2 O9 84.5(3) 2_856 2_756 ?
O18 Zn2 O9 86.2(3) 2_775 2_756 ?
O2 Zn2 O9 93.0(3) . 2_756 ?
O11 Zn2 O9 177.0(3) . 2_756 ?
O4A Zn3 O17 135.3(10) 1_545 1_536 ?
O4A Zn3 O8 94.9(7) 1_545 1_455 ?
O17 Zn3 O8 104.6(3) 1_536 1_455 ?
O4A Zn3 O9 103.7(10) 1_545 . ?
O17 Zn3 O9 108.1(3) 1_536 . ?
O8 Zn3 O9 107.3(3) 1_455 . ?
O4A Zn3 O3 43.1(10) 1_545 1_545 ?
O17 Zn3 O3 92.3(6) 1_536 1_545 ?
O8 Zn3 O3 107.6(5) 1_455 1_545 ?
O9 Zn3 O3 133.1(5) . 1_545 ?
O4A Zn3 O4 18.0(8) 1_545 1_545 ?
O17 Zn3 O4 152.4(7) 1_536 1_545 ?
O8 Zn3 O4 91.0(6) 1_455 1_545 ?
O9 Zn3 O4 88.2(6) . 1_545 ?
O3 Zn3 O4 60.9(7) 1_545 1_545 ?
O4A Zn3 C5 12.0(12) 1_545 1_545 ?
O17 Zn3 C5 123.4(10) 1_536 1_545 ?
O8 Zn3 C5 99.0(9) 1_455 1_545 ?
O9 Zn3 C5 112.7(9) . 1_545 ?
O3 Zn3 C5 31.2(10) 1_545 1_545 ?
O4 Zn3 C5 29.9(11) 1_545 1_545 ?
N1 C125 H12D 109.5 . . ?
N1 C125 H12E 109.5 . . ?
H12D C125 H12E 109.5 . . ?
N1 C125 H12F 109.5 . . ?
H12D C125 H12F 109.5 . . ?
H12E C125 H12F 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 C1 C2 C3 -172.8(10) . . . . ?
O2 C1 C2 C3 8.2(16) . . . . ?
O1 C1 C2 C6 6.8(16) . . . . ?
O2 C1 C2 C6 -172.1(11) . . . . ?
C6 C2 C3 C4 -0.6(18) . . . . ?
C1 C2 C3 C4 179.1(10) . . . . ?
C2 C3 C4 C7 0.1(18) . . . . ?
C2 C3 C4 C5A 177.9(19) . . . . ?
C2 C3 C4 C5 177.2(15) . . . . ?
C7 C4 C5 O4 158(2) . . . . ?
C3 C4 C5 O4 -18(3) . . . . ?
C5A C4 C5 O4 163(7) . . . . ?
C7 C4 C5 O3 -10(4) . . . . ?
C3 C4 C5 O3 174(2) . . . . ?
C5A C4 C5 O3 -5(4) . . . . ?
C7 C4 C5 Zn3 23(12) . . . 1_565 ?
C3 C4 C5 Zn3 -153(10) . . . 1_565 ?
C5A C4 C5 Zn3 28(8) . . . 1_565 ?
O4 C5 O3 Zn3 6(4) . . . 1_565 ?
C4 C5 O3 Zn3 173.2(19) . . . 1_565 ?
O3 C5 O4 Zn3 -6(4) . . . 1_565 ?
C4 C5 O4 Zn3 -171(3) . . . 1_565 ?
C7 C4 C5A O4A 171(2) . . . . ?
C3 C4 C5A O4A -7(4) . . . . ?
C5 C4 C5A O4A -5(4) . . . . ?
C7 C4 C5A O3A -13(3) . . . . ?
C3 C4 C5A O3A 169(2) . . . . ?
C5 C4 C5A O3A 171(7) . . . . ?
O3A C5A O4A Zn3 8(4) . . . 1_565 ?
C4 C5A O4A Zn3 -176.1(17) . . . 1_565 ?
C3 C2 C6 C8 3.8(19) . . . . ?
C1 C2 C6 C8 -175.8(12) . . . . ?
C3 C4 C7 C8 -2.9(19) . . . . ?
C5A C4 C7 C8 178.9(17) . . . . ?
C5 C4 C7 C8 -179(2) . . . . ?
C4 C7 C8 O5 178.2(13) . . . . ?
C4 C7 C8 C6 6(2) . . . . ?
C2 C6 C8 C7 -7(2) . . . . ?
C2 C6 C8 O5 -178.1(13) . . . . ?
O5 C9 C10 C12A 101(3) . . . . ?
O5 C9 C10 C11 -136(3) . . . . ?
O5 C9 C10 C11A -89(3) . . . . ?
O5 C9 C10 C12 43(2) . . . . ?
C12A C10 C11 C13 -47(5) . . . . ?
C9 C10 C11 C13 176(3) . . . . ?
C11A C10 C11 C13 83(5) . . . . ?
C12 C10 C11 C13 -2(5) . . . . ?
C12A C10 C12 C14 73(4) . . . . ?
C11 C10 C12 C14 7(5) . . . . ?
C9 C10 C12 C14 -172(3) . . . . ?
C11A C10 C12 C14 -36(4) . . . . ?
C10 C11 C13 C15 2(6) . . . . ?
C12A C10 C11A C13A -7(5) . . . . ?
C11 C10 C11A C13A -66(4) . . . . ?
C9 C10 C11A C13A -178(3) . . . . ?
C12 C10 C11A C13A 47(4) . . . . ?
C11 C10 C12A C14A 64(4) . . . . ?
C9 C10 C12A C14A -160(3) . . . . ?
C11A C10 C12A C14A 29(5) . . . . ?
C12 C10 C12A C14A -62(4) . . . . ?
C10 C11A C13A C15 -11(7) . . . . ?
C11A C13A C15 C14A 6(7) . . . . ?
C11A C13A C15 C13 83(6) . . . . ?
C11A C13A C15 C16 -172(4) . . . . ?
C11A C13A C15 C14 -41(6) . . . . ?
C11 C13 C15 C14A 33(4) . . . . ?
C11 C13 C15 C13A -83(5) . . . . ?
C11 C13 C15 C16 -178(3) . . . . ?
C11 C13 C15 C14 -6(5) . . . . ?
C10 C12 C14 C15 -9(5) . . . . ?
C14A C15 C14 C12 -57(3) . . . . ?
C13A C15 C14 C12 47(4) . . . . ?
C13 C15 C14 C12 9(5) . . . . ?
C16 C15 C14 C12 -179(2) . . . . ?
C13A C15 C14A C12A 18(6) . . . . ?
C13 C15 C14A C12A -18(5) . . . . ?
C16 C15 C14A C12A -165(3) . . . . ?
C14 C15 C14A C12A 115(5) . . . . ?
C10 C12A C14A C15 -37(6) . . . . ?
C17 C19 C21 C22 -0.5(15) . . . . ?
C17 C19 C21 C23 177.9(9) . . . . ?
C18 C20 C22 C21 0.0(14) . . . . ?
C24 C20 C22 C21 177.4(9) . . . . ?
C19 C21 C22 C20 2.2(14) . . . . ?
C23 C21 C22 C20 -176.2(9) . . . . ?
C19 C21 C23 O10 165.4(10) . . . . ?
C22 C21 C23 O10 -16.2(15) . . . . ?
C19 C21 C23 O9 -16.2(15) . . . . ?
C22 C21 C23 O9 162.3(9) . . . . ?
C22 C20 C24 O7 -162.9(9) . . . . ?
C18 C20 C24 O7 14.6(13) . . . . ?
C22 C20 C24 O8 15.3(14) . . . . ?
C18 C20 C24 O8 -167.1(9) . . . . ?
O12 C25 C26 C27 -22.6(16) . . . . ?
O11 C25 C26 C27 156.4(9) . . . . ?
O12 C25 C26 C30 158.8(10) . . . . ?
O11 C25 C26 C30 -22.2(15) . . . . ?
C30 C26 C27 C28 1.5(15) . . . . ?
C25 C26 C27 C28 -177.2(9) . . . . ?
C26 C27 C28 C29 -2.3(15) . . . . ?
C26 C27 C28 C32 178.5(10) . . . . ?
C27 C26 C30 C31 -1.1(16) . . . . ?
C25 C26 C30 C31 177.6(10) . . . . ?
C29 C28 C32 O14 25.4(14) . . . . ?
C27 C28 C32 O14 -155.4(9) . . . . ?
C29 C28 C32 O13 -157.0(9) . . . . ?
C27 C28 C32 O13 22.3(14) . . . . ?
C35B C34 C37B C38B -2(3) . . . . ?
C35A C34 C37B C38B 19(4) . . . . ?
C33 C34 C37B C38B -170(2) . . . . ?
C37A C34 C37B C38B 109(3) . . . . ?
C34 C37B C38B C39B 0(3) . . . . ?
C35B C36B C39B C38B -4(3) . . . . ?
C35B C36B C39B C40B 174(2) . . . . ?
C37B C38B C39B C36B 3(3) . . . . ?
C37B C38B C39B C40B -175(2) . . . . ?
C36B C39B C40B O16 -110(2) . . . . ?
C38B C39B C40B O16 68(3) . . . . ?
C39B C36B C35B C34 2(3) . . . . ?
C37B C34 C35B C36B 1.0(19) . . . . ?
C35A C34 C35B C36B -61(6) . . . . ?
C33 C34 C35B C36B 169(2) . . . . ?
C37A C34 C35B C36B -56(3) . . . . ?
C35B C34 C37A C38A 26(5) . . . . ?
C37B C34 C37A C38A -69(4) . . . . ?
C35A C34 C37A C38A 28(5) . . . . ?
C33 C34 C37A C38A 169(4) . . . . ?
C34 C37A C38A C39A -14(7) . . . . ?
C35A C36A C39A C38A -14(6) . . . . ?
C35A C36A C39A C40A 170(4) . . . . ?
C37A C38A C39A C36A 5(8) . . . . ?
C37A C38A C39A C40A -180(5) . . . . ?
C36A C39A C40A O16 58(5) . . . . ?
C38A C39A C40A O16 -117(4) . . . . ?
C39A C36A C35A C34 44(8) . . . . ?
C35B C34 C35A C36A 130(11) . . . . ?
C37B C34 C35A C36A 6(7) . . . . ?
C33 C34 C35A C36A -163(4) . . . . ?
C37A C34 C35A C36A -46(6) . . . . ?
C43 C41 C42 C44 1.7(19) . . . . ?
O16 C41 C42 C44 176.8(11) . . . . ?
O16 C41 C43 C45 -179.4(12) . . . . ?
C42 C41 C43 C45 -5(2) . . . . ?
C41 C42 C44 C46 -2.0(16) . . . . ?
C41 C42 C44 C48 -179.1(10) . . . . ?
C41 C43 C45 C46 7.5(18) . . . . ?
C41 C43 C45 C47 -176.9(11) . . . . ?
C42 C44 C46 C45 5.0(16) . . . . ?
C48 C44 C46 C45 -177.9(9) . . . . ?
C43 C45 C46 C44 -7.7(17) . . . . ?
C47 C45 C46 C44 176.8(10) . . . . ?
C43 C45 C47 O17 5.2(16) . . . . ?
C46 C45 C47 O17 -179.3(10) . . . . ?
C43 C45 C47 O18 -176.3(10) . . . . ?
C46 C45 C47 O18 -0.7(15) . . . . ?
C42 C44 C48 O19 166.1(10) . . . . ?
C46 C44 C48 O19 -11.0(15) . . . . ?
C42 C44 C48 O20 -13.3(15) . . . . ?
C46 C44 C48 O20 169.6(9) . . . . ?
C42 C44 C48 Zn1 -8(6) . . . 1_565 ?
C46 C44 C48 Zn1 175(5) . . . 1_565 ?
O2 C1 O1 Zn1 2.2(17) . . . . ?
C2 C1 O1 Zn1 -176.6(7) . . . . ?
O1 C1 O2 Zn2 -26.2(19) . . . . ?
C2 C1 O2 Zn2 152.6(8) . . . . ?
C7 C8 O5 C9 -171.3(14) . . . . ?
C6 C8 O5 C9 0(2) . . . . ?
C10 C9 O5 C8 176.5(14) . . . . ?
C17 O6 C16 C15 -178.5(12) . . . . ?
C14A C15 C16 O6 17(3) . . . . ?
C13A C15 C16 O6 -166(3) . . . . ?
C13 C15 C16 O6 -125(2) . . . . ?
C14 C15 C16 O6 61(2) . . . . ?
C16 O6 C17 C18 -2.0(18) . . . . ?
C16 O6 C17 C19 174.2(11) . . . . ?
C21 C19 C17 O6 180.0(9) . . . . ?
C21 C19 C17 C18 -3.5(15) . . . . ?
O6 C17 C18 C20 -178.3(10) . . . . ?
C19 C17 C18 C20 5.7(16) . . . . ?
C22 C20 C18 C17 -4.0(15) . . . . ?
C24 C20 C18 C17 178.4(9) . . . . ?
O8 C24 O7 Zn2 -20.8(16) . . . 2_856 ?
C20 C24 O7 Zn2 157.3(7) . . . 2_856 ?
O7 C24 O8 Zn3 -19.8(13) . . . 1_655 ?
C20 C24 O8 Zn3 162.1(6) . . . 1_655 ?
O10 C23 O9 Zn3 1.8(12) . . . . ?
C21 C23 O9 Zn3 -176.7(7) . . . . ?
O10 C23 O9 Zn2 118.3(10) . . . 2_756 ?
C21 C23 O9 Zn2 -60.2(13) . . . 2_756 ?
O12 C25 O11 Zn1 -1.1(11) . . . . ?
C26 C25 O11 Zn1 179.9(8) . . . . ?
O12 C25 O11 Zn2 126.7(9) . . . . ?
C26 C25 O11 Zn2 -52.4(13) . . . . ?
O14 C32 O13 Zn1 -19.2(13) . . . 1_655 ?
C28 C32 O13 Zn1 163.3(7) . . . 1_655 ?
O13 C32 O14 Zn2 -8.4(17) . . . 1_655 ?
C28 C32 O14 Zn2 169.0(7) . . . 1_655 ?
C27 C28 C29 C31 2.7(15) . . . . ?
C32 C28 C29 C31 -178.0(9) . . . . ?
C26 C30 C31 C29 1.6(16) . . . . ?
C26 C30 C31 O15 179.6(9) . . . . ?
C28 C29 C31 C30 -2.4(16) . . . . ?
C28 C29 C31 O15 179.7(9) . . . . ?
C35B C34 C33 O15 41(2) . . . . ?
C37B C34 C33 O15 -152.7(17) . . . . ?
C35A C34 C33 O15 14(4) . . . . ?
C37A C34 C33 O15 -100.7(18) . . . . ?
C30 C31 O15 C33 165.9(10) . . . . ?
C29 C31 O15 C33 -16.1(14) . . . . ?
C34 C33 O15 C31 -162.7(11) . . . . ?
C39A C40A O16 C41 167(2) . . . . ?
C39A C40A O16 C40B -19(3) . . . . ?
C43 C41 O16 C40A -6(3) . . . . ?
C42 C41 O16 C40A 179(2) . . . . ?
C43 C41 O16 C40B -179.0(16) . . . . ?
C42 C41 O16 C40B 6(2) . . . . ?
C39B C40B O16 C40A 19(3) . . . . ?
C39B C40B O16 C41 -168.0(14) . . . . ?
O18 C47 O17 Zn3 5.6(14) . . . 1_574 ?
C45 C47 O17 Zn3 -175.9(7) . . . 1_574 ?
O17 C47 O18 Zn2 -36.9(19) . . . 2_775 ?
C45 C47 O18 Zn2 144.6(10) . . . 2_775 ?
O20 C48 O19 Zn1 0.2(9) . . . 1_565 ?
C44 C48 O19 Zn1 -179.2(9) . . . 1_565 ?
O19 C48 O20 Zn1 -0.2(10) . . . 1_565 ?
C44 C48 O20 Zn1 179.2(8) . . . 1_565 ?
C1 O1 Zn1 O13 -69.1(9) . . . 1_455 ?
C1 O1 Zn1 O11 43.5(9) . . . . ?
C1 O1 Zn1 O20 -175.4(9) . . . 1_545 ?
C1 O1 Zn1 O19 169.9(8) . . . 1_545 ?
C1 O1 Zn1 C48 -180.0(8) . . . 1_545 ?
C25 O11 Zn1 O1 79.0(6) . . . . ?
Zn2 O11 Zn1 O1 -63.9(4) . . . . ?
C25 O11 Zn1 O13 -173.0(6) . . . 1_455 ?
Zn2 O11 Zn1 O13 44.1(4) . . . 1_455 ?
C25 O11 Zn1 O20 -30.9(8) . . . 1_545 ?
Zn2 O11 Zn1 O20 -173.8(3) . . . 1_545 ?
C25 O11 Zn1 O19 -80.5(6) . . . 1_545 ?
Zn2 O11 Zn1 O19 136.6(3) . . . 1_545 ?
C25 O11 Zn1 C48 -61.1(7) . . . 1_545 ?
Zn2 O11 Zn1 C48 156.0(3) . . . 1_545 ?
C1 O2 Zn2 O14 84.7(11) . . . 1_455 ?
C1 O2 Zn2 O7 -100.0(11) . . . 2_856 ?
C1 O2 Zn2 O18 125(13) . . . 2_775 ?
C1 O2 Zn2 O11 -3.6(11) . . . . ?
C1 O2 Zn2 O9 176.0(11) . . . 2_756 ?
C25 O11 Zn2 O14 -177.1(8) . . . 1_455 ?
Zn1 O11 Zn2 O14 -50.2(3) . . . 1_455 ?
C25 O11 Zn2 O7 1.6(9) . . . 2_856 ?
Zn1 O11 Zn2 O7 128.5(3) . . . 2_856 ?
C25 O11 Zn2 O18 99.6(8) . . . 2_775 ?
Zn1 O11 Zn2 O18 -133.5(3) . . . 2_775 ?
C25 O11 Zn2 O2 -81.4(8) . . . . ?
Zn1 O11 Zn2 O2 45.5(3) . . . . ?
C25 O11 Zn2 O9 108(5) . . . 2_756 ?
Zn1 O11 Zn2 O9 -126(5) . . . 2_756 ?
C23 O9 Zn3 O4A -78.5(10) . . . 1_545 ?
Zn2 O9 Zn3 O4A 146.7(8) 2_756 . . 1_545 ?
C23 O9 Zn3 O17 69.7(7) . . . 1_536 ?
Zn2 O9 Zn3 O17 -65.2(4) 2_756 . . 1_536 ?
C23 O9 Zn3 O8 -178.1(6) . . . 1_455 ?
Zn2 O9 Zn3 O8 47.1(3) 2_756 . . 1_455 ?
C23 O9 Zn3 O3 -41.6(10) . . . 1_545 ?
Zn2 O9 Zn3 O3 -176.5(7) 2_756 . . 1_545 ?
C23 O9 Zn3 O4 -87.6(9) . . . 1_545 ?
Zn2 O9 Zn3 O4 137.6(6) 2_756 . . 1_545 ?
C23 O9 Zn3 C5 -70.1(12) . . . 1_545 ?
Zn2 O9 Zn3 C5 155.0(10) 2_756 . . 1_545 ?

_diffrn_measured_fraction_theta_max 0.981
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.981
_refine_diff_density_max         1.340
_refine_diff_density_min         -0.784
_refine_diff_density_rms         0.155
