# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2014

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_AVM02.CIF

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            avm02
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C236 H212 N20 O66 S4 Zn16'
_chemical_formula_weight         5558.42

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C -0.0020 0.0020
'WCROMER Program in WinGX L.Kissel & R.H.Pratt Acta Cryst A46 170 1990'
H H 0.0000 0.0000
'WCROMER Program in WinGX L.Kissel & R.H.Pratt Acta Cryst A46 170 1990'
N N -0.0031 0.0040
'WCROMER Program in WinGX L.Kissel & R.H.Pratt Acta Cryst A46 170 1990'
O O -0.0041 0.0074
'WCROMER Program in WinGX L.Kissel & R.H.Pratt Acta Cryst A46 170 1990'
Zn Zn 0.1940 1.6718
'WCROMER Program in WinGX L.Kissel & R.H.Pratt Acta Cryst A46 170 1990'
S S 0.1246 0.1234
'WCROMER Program in WinGX L.Kissel & R.H.Pratt Acta Cryst A46 170 1990'

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   Pban

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

_cell_length_a                   20.780(2)
_cell_length_b                   34.908(4)
_cell_length_c                   14.4254(15)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     10464.3(19)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9984
_cell_measurement_theta_min      2.98
_cell_measurement_theta_max      22.81

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    0.882
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2840
_exptl_absorpt_coefficient_mu    1.215
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8881
_exptl_absorpt_correction_T_max  0.9417
_exptl_absorpt_process_details   'SADABS 2004 Bruker AXS, Madison, WI'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.77490
_diffrn_radiation_type           synchrotron
_diffrn_radiation_source         'Advanced Light Source station 11.3.1'
_diffrn_radiation_monochromator  'silicon 111'
_diffrn_measurement_device_type  'Bruker Apex II CCD diffractometer'
_diffrn_measurement_method       'ω rotation with narrow frames'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            49239
_diffrn_reflns_av_R_equivalents  0.0760
_diffrn_reflns_av_sigmaI/netI    0.0366
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         2.93
_diffrn_reflns_theta_max         22.84
_reflns_number_total             5508
_reflns_number_gt                3597
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker Apex2'
_computing_cell_refinement       'Bruker SAINTv7.68a'
_computing_data_reduction        'Bruker SAINTv7.68a'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    
'X-Seed (Atwood & Barbour, 2003; Barbour, 2001)'
_computing_publication_material  
'X-Seed (Atwood & Barbour, 2003; Barbour, 2001)'

_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. 
 All non-hydrogens were refined anisotropically except for the disordered
 solvent molecules where the occupancy was fixed at 25%. Hydrogens were place 
 geometrically and refined using a riding model. The methyl hydrogen atoms of 
 the disordered DMSO molecule could neither found in the difference map and 
 were therefore omitted from the refinement. Geometical and displacement
 parameter restrains were used in modeling the disorder.
;

# start Validation Reply Form
_vrf_THETM01_I                   
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.550
RESPONSE: Above 1.0 Angstrom I/Simga(I) < 2 therefore on average the data were
 unobserved and therefore not used in the refinement
;
_vrf_PLAT023_I                   
;
PROBLEM: Resolution (too) Low [sin(theta)/Lambda < 0.6]..      22.84 Deg. 
RESPONSE: Above 1.0 Angstrom I/Simga(I) < 2 therefore on average the data were
 unobserved and therefore not used in the refinement 
;
_vrf_PLAT602_I                   
;
PROBLEM: VERY LARGE Solvent Accessible VOID(S) in Structure        ! Info 
RESPONSE: There is a large void in the structure but no discernible electron
 density could be found to be modelled.
;
# end Validation Reply Form

_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)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5508
_refine_ls_number_parameters     511
_refine_ls_number_restraints     500
_refine_ls_R_factor_all          0.1359
_refine_ls_R_factor_gt           0.0991
_refine_ls_wR_factor_ref         0.3569
_refine_ls_wR_factor_gt          0.3217
_refine_ls_goodness_of_fit_ref   1.390
_refine_ls_restrained_S_all      1.337
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.98121(8) 0.2500 0.5000 0.0407(6) Uani 1 2 d S . .
Zn2 Zn 0.91565(6) 0.34874(3) 0.50081(8) 0.0368(6) Uani 1 1 d . . .
Zn3 Zn 0.7500 0.39639(4) 0.5000 0.0346(6) Uani 1 2 d S . .
S1 S 0.8115(7) 0.2662(4) 0.5038(11) 0.076(4) Uani 0.25 1 d PDU . -1
S2 S 0.8197(8) 0.4287(4) 0.0934(11) 0.078(4) Uiso 0.25 1 d P A 1
O1 O 0.9544(3) 0.30103(18) 0.5552(5) 0.0437(19) Uani 1 1 d . . .
O2 O 0.8859(3) 0.35712(18) 0.6363(5) 0.0387(18) Uani 1 1 d . E .
O3 O 0.7791(3) 0.38369(18) 0.6370(5) 0.0388(17) Uani 1 1 d . E .
O4 O 0.9729(3) 0.26710(19) 0.3637(5) 0.0414(18) Uani 1 1 d . . .
O5 O 0.9278(3) 0.32997(18) 0.3653(5) 0.0405(18) Uani 1 1 d . E .
O6 O 0.8308(3) 0.36665(18) 0.4502(5) 0.0411(18) Uani 1 1 d . E .
O7 O 0.8664(16) 0.2500 0.5000 0.109(8) Uani 0.50 2 d SPU . .
O8 O 0.871(2) 0.4153(12) 0.149(3) 0.093(12) Uiso 0.25 1 d P A 1
O32 O 1.057(3) 0.3534(17) 0.780(4) 0.144(19) Uiso 0.25 1 d P B 1
O33 O 1.0281(18) 0.3131(11) 0.878(3) 0.087(11) Uiso 0.25 1 d P C 1
O34 O 0.930(3) 0.4348(17) 0.844(4) 0.15(2) Uiso 0.25 1 d P . .
O35 O 1.0059(15) 0.4992(10) 0.765(3) 0.080(11) Uiso 0.25 1 d P D 1
N1 N 1.0809(6) 0.2500 0.5000 0.050(3) Uani 1 2 d SU . .
N2 N 0.9784(4) 0.3937(2) 0.4981(6) 0.044(2) Uani 0.50 1 d PU E 1
N3 N 0.8176(5) 0.4443(2) 0.5050(6) 0.045(2) Uani 0.50 1 d PU E 1
C1 C 0.9296(5) 0.2950(3) 0.6409(7) 0.038(3) Uani 1 1 d . . .
C2 C 0.8921(5) 0.3238(3) 0.6836(7) 0.037(3) Uani 1 1 d . E .
C3 C 0.8604(4) 0.3158(3) 0.7696(7) 0.036(3) Uani 1 1 d . . .
C4 C 0.8675(4) 0.2796(3) 0.8092(7) 0.035(3) Uani 1 1 d . . .
H4 H 0.8460 0.2741 0.8657 0.042 Uiso 1 1 calc R . .
C5 C 0.8170(5) 0.3466(3) 0.8096(7) 0.039(3) Uani 1 1 d . E .
H5 H 0.8345 0.3716 0.7872 0.047 Uiso 1 1 calc R . .
C6 C 0.8186(5) 0.3482(3) 0.9142(7) 0.042(3) Uani 1 1 d . . .
H6A H 0.8019 0.3242 0.9396 0.063 Uiso 1 1 calc R E .
H6B H 0.7919 0.3696 0.9358 0.063 Uiso 1 1 calc R . .
H6C H 0.8630 0.3520 0.9351 0.063 Uiso 1 1 calc R . .
C7 C 0.7488(5) 0.3427(3) 0.7668(7) 0.036(3) Uani 1 1 d . . .
C9 C 0.7360(5) 0.3602(3) 0.6828(7) 0.031(3) Uani 1 1 d . . .
C10 C 0.8212(5) 0.3537(3) 0.3629(7) 0.035(3) Uani 1 1 d . . .
C11 C 0.8699(5) 0.3323(3) 0.3187(8) 0.038(3) Uani 1 1 d . E .
C12 C 0.8586(4) 0.3151(3) 0.2338(7) 0.030(2) Uani 1 1 d . . .
C13 C 0.7985(5) 0.3203(3) 0.1935(7) 0.034(3) Uani 1 1 d . . .
H13 H 0.7896 0.3079 0.1363 0.041 Uiso 1 1 calc R . .
C14 C 0.9361(5) 0.2409(3) 0.3168(8) 0.041(3) Uani 1 1 d . . .
C15 C 0.9053(5) 0.2487(3) 0.2318(7) 0.034(3) Uani 1 1 d . . .
C16 C 0.9106(5) 0.2893(3) 0.1922(7) 0.036(3) Uani 1 1 d . E .
H16 H 0.9527 0.2997 0.2140 0.044 Uiso 1 1 calc R . .
C17 C 0.9134(5) 0.2894(3) 0.0839(7) 0.047(3) Uani 1 1 d . . .
H17A H 0.9503 0.2742 0.0631 0.070 Uiso 1 1 calc R E .
H17B H 0.9180 0.3158 0.0617 0.070 Uiso 1 1 calc R . .
H17C H 0.8737 0.2783 0.0590 0.070 Uiso 1 1 calc R . .
C18 C 1.1121(12) 0.2710(9) 0.5589(19) 0.068(5) Uani 0.50 1 d PU . 1
H18 H 1.0897 0.2878 0.5997 0.082 Uiso 0.50 1 calc PR . 1
C19 C 1.1787(13) 0.2687(9) 0.561(2) 0.074(5) Uani 0.50 1 d PU . 1
H19 H 1.2003 0.2814 0.6104 0.088 Uiso 0.50 1 calc PR . 1
C20 C 1.2144(8) 0.2500 0.5000 0.066(4) Uani 0.50 2 d SPU . 1
C21 C 1.0080(12) 0.4040(7) 0.572(2) 0.049(5) Uani 0.50 1 d PU E 1
H21 H 1.0005 0.3900 0.6277 0.059 Uiso 0.50 1 calc PR E 1
C22 C 1.0522(13) 0.4358(7) 0.5754(19) 0.050(4) Uani 0.50 1 d PU E 1
H22 H 1.0758 0.4413 0.6301 0.060 Uiso 0.50 1 calc PR E 1
C23 C 1.0593(5) 0.4577(3) 0.4983(8) 0.045(2) Uani 0.50 1 d PU . 1
C24 C 1.0261(12) 0.4464(8) 0.416(2) 0.055(5) Uani 0.50 1 d PU E 1
H24 H 1.0317 0.4598 0.3596 0.065 Uiso 0.50 1 calc PR E 1
C25 C 0.9850(13) 0.4147(7) 0.423(2) 0.050(5) Uani 0.50 1 d PU E 1
H25 H 0.9605 0.4080 0.3697 0.060 Uiso 0.50 1 calc PR E 1
C26 C 0.8474(13) 0.4566(8) 0.580(2) 0.053(5) Uani 0.50 1 d PU E 1
H26 H 0.8417 0.4432 0.6364 0.064 Uiso 0.50 1 calc PR E 1
C27 C 0.8862(13) 0.4879(7) 0.577(2) 0.052(5) Uani 0.50 1 d PU E 1
H27 H 0.9061 0.4955 0.6336 0.063 Uiso 0.50 1 calc PR E 1
C28 C 0.8980(6) 0.5082(3) 0.5037(8) 0.047(3) Uani 0.50 1 d PU . 1
C29 C 0.8709(13) 0.4939(8) 0.426(2) 0.048(5) Uani 0.50 1 d PU E 1
H29 H 0.8802 0.5055 0.3681 0.058 Uiso 0.50 1 calc PR E 1
C30 C 0.8287(13) 0.4622(8) 0.429(2) 0.049(5) Uani 0.50 1 d PU E 1
H30 H 0.8083 0.4539 0.3739 0.058 Uiso 0.50 1 calc PR E 1
C31 C 0.7500 0.2500 0.4107(13) 0.111(10) Uani 1 2 d SDU . .
C36 C 0.845(3) 0.4600(18) 0.035(4) 0.10(2) Uiso 0.25 1 d P A 1
H36A H 0.8512 0.4831 0.0727 0.143 Uiso 0.25 1 calc PR A 1
H36B H 0.8147 0.4655 -0.0153 0.143 Uiso 0.25 1 calc PR A 1
H36C H 0.8866 0.4523 0.0083 0.143 Uiso 0.25 1 calc PR A 1
C37 C 0.780(2) 0.4479(13) 0.167(3) 0.054(12) Uiso 0.25 1 d P A 1
H37A H 0.8016 0.4711 0.1882 0.081 Uiso 0.25 1 calc PR A 1
H37B H 0.7734 0.4303 0.2189 0.081 Uiso 0.25 1 calc PR A 1
H37C H 0.7377 0.4548 0.1405 0.081 Uiso 0.25 1 calc PR A 1
O32A O 1.084(3) 0.3208(16) 0.781(4) 0.142(19) Uiso 0.25 1 d P F 2
O35A O 0.9773(17) 0.4836(10) 0.844(3) 0.078(10) Uiso 0.25 1 d P G 2
N2A N 0.9784(4) 0.3937(2) 0.4981(6) 0.044(2) Uani 0.50 1 d PU E 2
N3A N 0.8176(5) 0.4443(2) 0.5050(6) 0.045(2) Uani 0.50 1 d PU E 2
C18A C 1.1152(12) 0.2388(9) 0.5710(18) 0.071(5) Uani 0.50 1 d PU . 2
H18A H 1.0922 0.2284 0.6219 0.085 Uiso 0.50 1 calc PR . 2
C19A C 1.1824(13) 0.2406(9) 0.580(2) 0.072(5) Uani 0.50 1 d PU . 2
H19A H 1.2039 0.2357 0.6370 0.087 Uiso 0.50 1 calc PR . 2
C21A C 0.9818(12) 0.4171(7) 0.574(2) 0.046(4) Uani 0.50 1 d PU E 2
H21A H 0.9557 0.4115 0.6266 0.055 Uiso 0.50 1 calc PR E 2
C22A C 1.0241(11) 0.4501(7) 0.5771(19) 0.047(4) Uani 0.50 1 d PU E 2
H22A H 1.0274 0.4657 0.6309 0.056 Uiso 0.50 1 calc PR E 2
C23A C 1.0593(5) 0.4577(3) 0.4983(8) 0.045(2) Uani 0.50 1 d PU . 2
C24A C 1.0554(13) 0.4345(7) 0.420(2) 0.051(5) Uani 0.50 1 d PU E 2
H24A H 1.0804 0.4397 0.3667 0.061 Uiso 0.50 1 calc PR E 2
C25A C 1.0127(12) 0.4028(7) 0.424(2) 0.044(4) Uani 0.50 1 d PU E 2
H25A H 1.0086 0.3872 0.3700 0.053 Uiso 0.50 1 calc PR E 2
C26A C 0.8193(13) 0.4670(7) 0.581(2) 0.050(5) Uani 0.50 1 d PU E 2
H26A H 0.7942 0.4608 0.6341 0.060 Uiso 0.50 1 calc PR E 2
C27A C 0.8589(12) 0.4999(7) 0.581(2) 0.049(5) Uani 0.50 1 d PU E 2
H27A H 0.8591 0.5165 0.6327 0.059 Uiso 0.50 1 calc PR E 2
C28A C 0.8980(6) 0.5082(3) 0.5037(8) 0.047(3) Uani 0.50 1 d PU . 2
C29A C 0.8951(13) 0.4838(7) 0.423(2) 0.044(5) Uani 0.50 1 d PU E 2
H29A H 0.9197 0.4889 0.3688 0.052 Uiso 0.50 1 calc PR E 2
C30A C 0.8538(12) 0.4523(7) 0.429(2) 0.041(4) Uani 0.50 1 d PU E 2
H30A H 0.8509 0.4355 0.3773 0.050 Uiso 0.50 1 calc PR E 2
C20A C 1.2144(8) 0.2500 0.5000 0.066(4) Uani 0.50 2 d SPU . 2
O36 O 0.913(2) 0.4079(13) 0.103(3) 0.113(15) Uiso 0.25 1 d P H 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Zn1 O1 2.029(7) 3_556 ?
Zn1 O1 2.029(7) . ?
Zn1 O4 2.063(7) . ?
Zn1 O4 2.063(7) 3_556 ?
Zn1 N1 2.072(12) . ?
Zn1 O7 2.39(3) . ?
Zn2 O6 2.008(7) . ?
Zn2 O1 2.010(7) . ?
Zn2 N2 2.041(8) . ?
Zn2 O2 2.071(7) . ?
Zn2 O5 2.077(7) . ?
Zn3 O6 2.101(6) . ?
Zn3 O6 2.101(6) 4_656 ?
Zn3 O3 2.113(7) 4_656 ?
Zn3 O3 2.113(7) . ?
Zn3 N3 2.186(9) . ?
Zn3 N3A 2.186(9) 4_656 ?
Zn3 N3 2.186(9) 4_656 ?
S1 O7 1.27(3) . ?
S1 C31 1.86(2) 3_556 ?
S1 C31 1.938(15) . ?
S2 O8 1.40(4) . ?
S2 C36 1.48(6) . ?
S2 C37 1.50(5) . ?
O1 C1 1.356(12) . ?
O2 C2 1.354(11) . ?
O3 C9 1.381(11) . ?
O4 C14 1.370(12) . ?
O5 C11 1.380(12) . ?
O6 C10 1.354(12) . ?
O7 S1 1.27(3) 3_556 ?
N1 C18 1.30(3) 3_556 ?
N1 C18 1.30(3) . ?
N1 C18A 1.31(3) . ?
N1 C18A 1.31(3) 3_556 ?
N2 C21 1.29(3) . ?
N2 C25 1.32(3) . ?
N3 C30 1.28(3) . ?
N3 C26 1.31(3) . ?
C1 C14 1.402(14) 3_556 ?
C1 C2 1.414(14) . ?
C2 C3 1.433(14) . ?
C3 C4 1.394(13) . ?
C3 C5 1.516(13) . ?
C4 C15 1.394(13) 3_556 ?
C4 H4 0.9500 . ?
C5 C6 1.511(14) . ?
C5 C7 1.551(13) . ?
C5 H5 1.0000 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C13 1.382(13) 4_656 ?
C7 C9 1.384(14) . ?
C9 C10 1.377(14) 4_656 ?
C10 C9 1.377(14) 4_656 ?
C10 C11 1.410(14) . ?
C11 C12 1.385(14) . ?
C12 C13 1.389(13) . ?
C12 C16 1.529(13) . ?
C13 C7 1.382(13) 4_656 ?
C13 H13 0.9500 . ?
C14 C1 1.402(14) 3_556 ?
C14 C15 1.409(15) . ?
C15 C4 1.394(13) 3_556 ?
C15 C16 1.531(13) . ?
C16 C17 1.563(14) . ?
C16 H16 1.0000 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 C19 1.39(3) . ?
C18 H18 0.9500 . ?
C19 C20 1.33(3) . ?
C19 H19 0.9500 . ?
C20 C19 1.33(3) 3_556 ?
C20 C20 1.48(4) 2_755 ?
C21 C22 1.44(3) . ?
C21 H21 0.9500 . ?
C22 C23 1.36(3) . ?
C22 H22 0.9500 . ?
C23 C24 1.42(3) . ?
C23 C28 1.483(16) 5_766 ?
C24 C25 1.40(3) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
C26 C27 1.36(3) . ?
C26 H26 0.9500 . ?
C27 C28 1.30(3) . ?
C27 H27 0.9500 . ?
C28 C29 1.35(3) . ?
C28 C23 1.483(16) 5_766 ?
C29 C30 1.41(4) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 S1 1.86(2) 3_556 ?
C31 S1 1.86(2) 4_656 ?
C31 S1 1.938(15) 2_655 ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C18A C19A 1.40(4) . ?
C18A H18A 0.9500 . ?
C19A H19A 0.9500 . ?
C21A C22A 1.45(3) . ?
C21A H21A 0.9500 . ?
C22A H22A 0.9500 . ?
C24A C25A 1.42(3) . ?
C24A H24A 0.9500 . ?
C25A H25A 0.9500 . ?
C26A C27A 1.41(3) . ?
C26A H26A 0.9500 . ?
C27A H27A 0.9500 . ?
C29A C30A 1.40(3) . ?
C29A H29A 0.9500 . ?
C30A H30A 0.9500 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Zn1 O1 148.2(4) 3_556 . ?
O1 Zn1 O4 81.8(3) 3_556 . ?
O1 Zn1 O4 95.6(3) . . ?
O1 Zn1 O4 95.6(3) 3_556 3_556 ?
O1 Zn1 O4 81.8(3) . 3_556 ?
O4 Zn1 O4 170.4(4) . 3_556 ?
O1 Zn1 N1 105.9(2) 3_556 . ?
O1 Zn1 N1 105.9(2) . . ?
O4 Zn1 N1 94.80(19) . . ?
O4 Zn1 N1 94.80(19) 3_556 . ?
O1 Zn1 O7 74.1(2) 3_556 . ?
O1 Zn1 O7 74.1(2) . . ?
O4 Zn1 O7 85.20(19) . . ?
O4 Zn1 O7 85.20(19) 3_556 . ?
N1 Zn1 O7 180.000(2) . . ?
O6 Zn2 O1 138.8(3) . . ?
O6 Zn2 N2 108.3(3) . . ?
O1 Zn2 N2 112.9(3) . . ?
O6 Zn2 O2 92.1(3) . . ?
O1 Zn2 O2 82.4(3) . . ?
N2 Zn2 O2 95.8(3) . . ?
O6 Zn2 O5 82.1(3) . . ?
O1 Zn2 O5 93.3(3) . . ?
N2 Zn2 O5 98.4(3) . . ?
O2 Zn2 O5 165.7(3) . . ?
O6 Zn3 O6 120.8(4) . 4_656 ?
O6 Zn3 O3 78.8(3) . 4_656 ?
O6 Zn3 O3 89.3(3) 4_656 4_656 ?
O6 Zn3 O3 89.3(3) . . ?
O6 Zn3 O3 78.8(3) 4_656 . ?
O3 Zn3 O3 155.8(4) 4_656 . ?
O6 Zn3 N3 82.9(3) . . ?
O6 Zn3 N3 151.7(3) 4_656 . ?
O3 Zn3 N3 112.0(3) 4_656 . ?
O3 Zn3 N3 86.9(3) . . ?
O6 Zn3 N3A 151.7(3) . 4_656 ?
O6 Zn3 N3A 82.9(3) 4_656 4_656 ?
O3 Zn3 N3A 86.9(3) 4_656 4_656 ?
O3 Zn3 N3A 112.0(3) . 4_656 ?
N3 Zn3 N3A 80.1(5) . 4_656 ?
O6 Zn3 N3 151.7(3) . 4_656 ?
O6 Zn3 N3 82.9(3) 4_656 4_656 ?
O3 Zn3 N3 86.9(3) 4_656 4_656 ?
O3 Zn3 N3 112.0(3) . 4_656 ?
N3 Zn3 N3 80.1(5) . 4_656 ?
N3A Zn3 N3 0.0(4) 4_656 4_656 ?
O7 S1 C31 120.5(11) . 3_556 ?
O7 S1 C31 115.5(11) . . ?
C31 S1 C31 85.3(12) 3_556 . ?
O8 S2 C36 107(3) . . ?
O8 S2 C37 100(3) . . ?
C36 S2 C37 106(3) . . ?
C1 O1 Zn2 109.4(6) . . ?
C1 O1 Zn1 109.0(6) . . ?
Zn2 O1 Zn1 133.2(4) . . ?
C2 O2 Zn2 109.0(6) . . ?
C9 O3 Zn3 112.7(6) . . ?
C14 O4 Zn1 108.9(6) . . ?
C11 O5 Zn2 109.4(6) . . ?
C10 O6 Zn2 111.3(6) . . ?
C10 O6 Zn3 111.4(6) . . ?
Zn2 O6 Zn3 137.0(4) . . ?
S1 O7 S1 52.9(18) 3_556 . ?
S1 O7 Zn1 153.5(9) 3_556 . ?
S1 O7 Zn1 153.5(9) . . ?
C18 N1 C18 120(2) 3_556 . ?
C18 N1 C18A 94.1(16) 3_556 . ?
C18 N1 C18A 51.9(16) . . ?
C18 N1 C18A 51.9(16) 3_556 3_556 ?
C18 N1 C18A 94.1(16) . 3_556 ?
C18A N1 C18A 114(2) . 3_556 ?
C18 N1 Zn1 120.0(12) 3_556 . ?
C18 N1 Zn1 120.0(12) . . ?
C18A N1 Zn1 123.0(12) . . ?
C18A N1 Zn1 123.0(12) 3_556 . ?
C21 N2 C25 118.7(18) . . ?
C21 N2 Zn2 120.3(13) . . ?
C25 N2 Zn2 120.7(13) . . ?
C30 N3 C26 117(2) . . ?
C30 N3 Zn3 117.5(15) . . ?
C26 N3 Zn3 125.4(14) . . ?
O1 C1 C14 119.9(9) . 3_556 ?
O1 C1 C2 119.8(9) . . ?
C14 C1 C2 120.0(10) 3_556 . ?
O2 C2 C1 116.3(9) . . ?
O2 C2 C3 124.0(9) . . ?
C1 C2 C3 119.5(9) . . ?
C4 C3 C2 118.8(9) . . ?
C4 C3 C5 123.4(10) . . ?
C2 C3 C5 117.7(9) . . ?
C15 C4 C3 121.9(10) 3_556 . ?
C15 C4 H4 119.0 3_556 . ?
C3 C4 H4 119.0 . . ?
C6 C5 C3 113.1(8) . . ?
C6 C5 C7 114.9(8) . . ?
C3 C5 C7 109.4(8) . . ?
C6 C5 H5 106.3 . . ?
C3 C5 H5 106.3 . . ?
C7 C5 H5 106.3 . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C13 C7 C9 118.5(9) 4_656 . ?
C13 C7 C5 122.3(9) 4_656 . ?
C9 C7 C5 119.0(9) . . ?
C10 C9 O3 115.4(8) 4_656 . ?
C10 C9 C7 120.7(9) 4_656 . ?
O3 C9 C7 123.8(9) . . ?
O6 C10 C9 121.1(9) . 4_656 ?
O6 C10 C11 119.4(10) . . ?
C9 C10 C11 119.5(10) 4_656 . ?
O5 C11 C12 123.5(9) . . ?
O5 C11 C10 116.0(9) . . ?
C12 C11 C10 120.5(10) . . ?
C11 C12 C13 117.8(9) . . ?
C11 C12 C16 118.9(9) . . ?
C13 C12 C16 123.1(9) . . ?
C7 C13 C12 122.7(9) 4_656 . ?
C7 C13 H13 118.7 4_656 . ?
C12 C13 H13 118.7 . . ?
O4 C14 C1 115.8(10) . 3_556 ?
O4 C14 C15 123.7(9) . . ?
C1 C14 C15 120.5(9) 3_556 . ?
C4 C15 C14 119.3(9) 3_556 . ?
C4 C15 C16 122.5(9) 3_556 . ?
C14 C15 C16 118.1(9) . . ?
C12 C16 C15 110.4(8) . . ?
C12 C16 C17 114.7(8) . . ?
C15 C16 C17 112.3(8) . . ?
C12 C16 H16 106.3 . . ?
C15 C16 H16 106.3 . . ?
C17 C16 H16 106.3 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N1 C18 C19 119(2) . . ?
N1 C18 H18 120.6 . . ?
C19 C18 H18 120.6 . . ?
C20 C19 C18 125(3) . . ?
C20 C19 H19 117.6 . . ?
C18 C19 H19 117.6 . . ?
C19 C20 C19 112(3) 3_556 . ?
C19 C20 C20 124.0(14) 3_556 2_755 ?
C19 C20 C20 124.0(14) . 2_755 ?
N2 C21 C22 123(2) . . ?
N2 C21 H21 118.5 . . ?
C22 C21 H21 118.5 . . ?
C23 C22 C21 119(2) . . ?
C23 C22 H22 120.7 . . ?
C21 C22 H22 120.7 . . ?
C22 C23 C24 118.1(17) . . ?
C22 C23 C28 122.2(14) . 5_766 ?
C24 C23 C28 119.7(14) . 5_766 ?
C25 C24 C23 117(2) . . ?
C25 C24 H24 121.3 . . ?
C23 C24 H24 121.3 . . ?
N2 C25 C24 124(2) . . ?
N2 C25 H25 118.0 . . ?
C24 C25 H25 118.0 . . ?
N3 C26 C27 121(3) . . ?
N3 C26 H26 119.3 . . ?
C27 C26 H26 119.3 . . ?
C28 C27 C26 125(3) . . ?
C28 C27 H27 117.6 . . ?
C26 C27 H27 117.6 . . ?
C27 C28 C29 113.3(19) . . ?
C27 C28 C23 124.5(16) . 5_766 ?
C29 C28 C23 122.1(16) . 5_766 ?
C28 C29 C30 122(3) . . ?
C28 C29 H29 119.2 . . ?
C30 C29 H29 119.2 . . ?
N3 C30 C29 121(3) . . ?
N3 C30 H30 119.3 . . ?
C29 C30 H30 119.3 . . ?
S1 C31 S1 97.1(14) 3_556 4_656 ?
S1 C31 S1 34.7(9) 3_556 . ?
S1 C31 S1 84.6(11) 4_656 . ?
S1 C31 S1 84.6(11) 3_556 2_655 ?
S1 C31 S1 34.7(9) 4_656 2_655 ?
S1 C31 S1 92.3(12) . 2_655 ?
N1 C18A C19A 127(2) . . ?
N1 C18A H18A 116.5 . . ?
C19A C18A H18A 116.5 . . ?
C18A C19A H19A 122.8 . . ?
C22A C21A H21A 119.1 . . ?
C21A C22A H22A 121.6 . . ?
C25A C24A H24A 121.2 . . ?
C24A C25A H25A 118.3 . . ?
C27A C26A H26A 120.4 . . ?
C26A C27A H27A 119.7 . . ?
C30A C29A H29A 122.0 . . ?
C29A C30A H30A 118.2 . . ?

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
O6 Zn2 O1 C1 -70.8(8) . . . . ?
N2 Zn2 O1 C1 106.8(6) . . . . ?
O2 Zn2 O1 C1 13.7(6) . . . . ?
O5 Zn2 O1 C1 -152.6(6) . . . . ?
O6 Zn2 O1 Zn1 72.7(6) . . . . ?
N2 Zn2 O1 Zn1 -109.7(5) . . . . ?
O2 Zn2 O1 Zn1 157.2(5) . . . . ?
O5 Zn2 O1 Zn1 -9.1(5) . . . . ?
O1 Zn1 O1 C1 71.3(6) 3_556 . . . ?
O4 Zn1 O1 C1 154.7(6) . . . . ?
O4 Zn1 O1 C1 -16.0(6) 3_556 . . . ?
N1 Zn1 O1 C1 -108.7(6) . . . . ?
O7 Zn1 O1 C1 71.3(6) . . . . ?
O1 Zn1 O1 Zn2 -72.3(4) 3_556 . . . ?
O4 Zn1 O1 Zn2 11.1(5) . . . . ?
O4 Zn1 O1 Zn2 -159.6(5) 3_556 . . . ?
N1 Zn1 O1 Zn2 107.7(4) . . . . ?
O7 Zn1 O1 Zn2 -72.3(4) . . . . ?
O6 Zn2 O2 C2 123.5(6) . . . . ?
O1 Zn2 O2 C2 -15.5(6) . . . . ?
N2 Zn2 O2 C2 -127.9(6) . . . . ?
O5 Zn2 O2 C2 57.7(13) . . . . ?
O6 Zn3 O3 C9 -115.2(6) . . . . ?
O6 Zn3 O3 C9 6.4(6) 4_656 . . . ?
O3 Zn3 O3 C9 -55.4(5) 4_656 . . . ?
N3 Zn3 O3 C9 161.9(6) . . . . ?
N3A Zn3 O3 C9 83.9(6) 4_656 . . . ?
N3 Zn3 O3 C9 83.9(6) 4_656 . . . ?
O1 Zn1 O4 C14 18.9(6) 3_556 . . . ?
O1 Zn1 O4 C14 -129.2(6) . . . . ?
O4 Zn1 O4 C14 -55.7(6) 3_556 . . . ?
N1 Zn1 O4 C14 124.3(6) . . . . ?
O7 Zn1 O4 C14 -55.7(6) . . . . ?
O6 Zn2 O5 C11 -11.5(6) . . . . ?
O1 Zn2 O5 C11 127.3(6) . . . . ?
N2 Zn2 O5 C11 -119.0(6) . . . . ?
O2 Zn2 O5 C11 55.4(13) . . . . ?
O1 Zn2 O6 C10 -77.9(8) . . . . ?
N2 Zn2 O6 C10 104.4(6) . . . . ?
O2 Zn2 O6 C10 -158.9(6) . . . . ?
O5 Zn2 O6 C10 8.0(6) . . . . ?
O1 Zn2 O6 Zn3 95.9(6) . . . . ?
N2 Zn2 O6 Zn3 -81.7(6) . . . . ?
O2 Zn2 O6 Zn3 15.0(5) . . . . ?
O5 Zn2 O6 Zn3 -178.1(5) . . . . ?
O6 Zn3 O6 C10 79.0(6) 4_656 . . . ?
O3 Zn3 O6 C10 -3.3(6) 4_656 . . . ?
O3 Zn3 O6 C10 155.5(6) . . . . ?
N3 Zn3 O6 C10 -117.5(6) . . . . ?
N3A Zn3 O6 C10 -64.3(9) 4_656 . . . ?
N3 Zn3 O6 C10 -64.3(9) 4_656 . . . ?
O6 Zn3 O6 Zn2 -94.8(5) 4_656 . . . ?
O3 Zn3 O6 Zn2 -177.2(5) 4_656 . . . ?
O3 Zn3 O6 Zn2 -18.4(5) . . . . ?
N3 Zn3 O6 Zn2 68.6(5) . . . . ?
N3A Zn3 O6 Zn2 121.9(7) 4_656 . . . ?
N3 Zn3 O6 Zn2 121.9(7) 4_656 . . . ?
C31 S1 O7 S1 53.0(12) 3_556 . . 3_556 ?
C31 S1 O7 S1 -47.1(12) . . . 3_556 ?
C31 S1 O7 Zn1 -127.0(12) 3_556 . . . ?
C31 S1 O7 Zn1 132.9(12) . . . . ?
O1 Zn1 O7 S1 18.5(16) 3_556 . . 3_556 ?
O1 Zn1 O7 S1 -161.5(16) . . . 3_556 ?
O4 Zn1 O7 S1 101.3(16) . . . 3_556 ?
O4 Zn1 O7 S1 -78.7(16) 3_556 . . 3_556 ?
N1 Zn1 O7 S1 0(100) . . . 3_556 ?
O1 Zn1 O7 S1 -161.5(16) 3_556 . . . ?
O1 Zn1 O7 S1 18.5(16) . . . . ?
O4 Zn1 O7 S1 -78.7(16) . . . . ?
O4 Zn1 O7 S1 101.3(16) 3_556 . . . ?
N1 Zn1 O7 S1 0(69) . . . . ?
O1 Zn1 N1 C18 25.1(16) 3_556 . . 3_556 ?
O1 Zn1 N1 C18 -154.9(16) . . . 3_556 ?
O4 Zn1 N1 C18 -57.7(16) . . . 3_556 ?
O4 Zn1 N1 C18 122.3(16) 3_556 . . 3_556 ?
O7 Zn1 N1 C18 0(100) . . . 3_556 ?
O1 Zn1 N1 C18 -154.9(16) 3_556 . . . ?
O1 Zn1 N1 C18 25.1(16) . . . . ?
O4 Zn1 N1 C18 122.3(16) . . . . ?
O4 Zn1 N1 C18 -57.7(16) 3_556 . . . ?
O7 Zn1 N1 C18 0(100) . . . . ?
O1 Zn1 N1 C18A -93.3(16) 3_556 . . . ?
O1 Zn1 N1 C18A 86.7(16) . . . . ?
O4 Zn1 N1 C18A -176.1(16) . . . . ?
O4 Zn1 N1 C18A 3.9(16) 3_556 . . . ?
O7 Zn1 N1 C18A 0(100) . . . . ?
O1 Zn1 N1 C18A 86.7(16) 3_556 . . 3_556 ?
O1 Zn1 N1 C18A -93.3(16) . . . 3_556 ?
O4 Zn1 N1 C18A 3.9(16) . . . 3_556 ?
O4 Zn1 N1 C18A -176.1(16) 3_556 . . 3_556 ?
O7 Zn1 N1 C18A 0(100) . . . 3_556 ?
O6 Zn2 N2 C21 125.7(15) . . . . ?
O1 Zn2 N2 C21 -52.7(15) . . . . ?
O2 Zn2 N2 C21 31.5(15) . . . . ?
O5 Zn2 N2 C21 -149.9(15) . . . . ?
O6 Zn2 N2 C25 -48.5(15) . . . . ?
O1 Zn2 N2 C25 133.2(15) . . . . ?
O2 Zn2 N2 C25 -142.6(15) . . . . ?
O5 Zn2 N2 C25 36.0(15) . . . . ?
O6 Zn3 N3 C30 81.0(14) . . . . ?
O6 Zn3 N3 C30 -130.2(14) 4_656 . . . ?
O3 Zn3 N3 C30 6.2(15) 4_656 . . . ?
O3 Zn3 N3 C30 170.6(14) . . . . ?
N3A Zn3 N3 C30 -76.4(14) 4_656 . . . ?
N3 Zn3 N3 C30 -76.4(14) 4_656 . . . ?
O6 Zn3 N3 C26 -99.7(16) . . . . ?
O6 Zn3 N3 C26 49.1(18) 4_656 . . . ?
O3 Zn3 N3 C26 -174.5(16) 4_656 . . . ?
O3 Zn3 N3 C26 -10.1(16) . . . . ?
N3A Zn3 N3 C26 102.9(17) 4_656 . . . ?
N3 Zn3 N3 C26 102.9(17) 4_656 . . . ?
Zn2 O1 C1 C14 163.8(8) . . . 3_556 ?
Zn1 O1 C1 C14 11.1(11) . . . 3_556 ?
Zn2 O1 C1 C2 -10.3(11) . . . . ?
Zn1 O1 C1 C2 -163.0(8) . . . . ?
Zn2 O2 C2 C1 14.4(10) . . . . ?
Zn2 O2 C2 C3 -162.1(8) . . . . ?
O1 C1 C2 O2 -3.1(14) . . . . ?
C14 C1 C2 O2 -177.3(9) 3_556 . . . ?
O1 C1 C2 C3 173.5(9) . . . . ?
C14 C1 C2 C3 -0.7(15) 3_556 . . . ?
O2 C2 C3 C4 176.4(9) . . . . ?
C1 C2 C3 C4 0.1(14) . . . . ?
O2 C2 C3 C5 0.4(14) . . . . ?
C1 C2 C3 C5 -175.9(9) . . . . ?
C2 C3 C4 C15 1.0(14) . . . 3_556 ?
C5 C3 C4 C15 176.7(9) . . . 3_556 ?
C4 C3 C5 C6 39.5(13) . . . . ?
C2 C3 C5 C6 -144.8(9) . . . . ?
C4 C3 C5 C7 -90.0(11) . . . . ?
C2 C3 C5 C7 85.8(11) . . . . ?
C6 C5 C7 C13 -38.4(13) . . . 4_656 ?
C3 C5 C7 C13 90.1(11) . . . 4_656 ?
C6 C5 C7 C9 146.2(9) . . . . ?
C3 C5 C7 C9 -85.3(11) . . . . ?
Zn3 O3 C9 C10 -8.5(10) . . . 4_656 ?
Zn3 O3 C9 C7 168.9(7) . . . . ?
C13 C7 C9 C10 -3.5(14) 4_656 . . 4_656 ?
C5 C7 C9 C10 172.0(9) . . . 4_656 ?
C13 C7 C9 O3 179.1(8) 4_656 . . . ?
C5 C7 C9 O3 -5.3(14) . . . . ?
Zn2 O6 C10 C9 175.2(7) . . . 4_656 ?
Zn3 O6 C10 C9 -0.3(11) . . . 4_656 ?
Zn2 O6 C10 C11 -3.2(10) . . . . ?
Zn3 O6 C10 C11 -178.8(7) . . . . ?
Zn2 O5 C11 C12 -166.6(8) . . . . ?
Zn2 O5 C11 C10 13.1(10) . . . . ?
O6 C10 C11 O5 -7.2(13) . . . . ?
C9 C10 C11 O5 174.3(8) 4_656 . . . ?
O6 C10 C11 C12 172.6(8) . . . . ?
C9 C10 C11 C12 -5.9(14) 4_656 . . . ?
O5 C11 C12 C13 -178.8(8) . . . . ?
C10 C11 C12 C13 1.4(14) . . . . ?
O5 C11 C12 C16 5.1(14) . . . . ?
C10 C11 C12 C16 -174.6(8) . . . . ?
C11 C12 C13 C7 2.1(14) . . . 4_656 ?
C16 C12 C13 C7 178.0(9) . . . 4_656 ?
Zn1 O4 C14 C1 -18.4(10) . . . 3_556 ?
Zn1 O4 C14 C15 160.8(8) . . . . ?
O4 C14 C15 C4 -178.3(8) . . . 3_556 ?
C1 C14 C15 C4 0.9(14) 3_556 . . 3_556 ?
O4 C14 C15 C16 -3.2(14) . . . . ?
C1 C14 C15 C16 176.0(9) 3_556 . . . ?
C11 C12 C16 C15 84.1(11) . . . . ?
C13 C12 C16 C15 -91.7(11) . . . . ?
C11 C12 C16 C17 -147.9(9) . . . . ?
C13 C12 C16 C17 36.3(13) . . . . ?
C4 C15 C16 C12 90.0(11) 3_556 . . . ?
C14 C15 C16 C12 -85.0(11) . . . . ?
C4 C15 C16 C17 -39.3(12) 3_556 . . . ?
C14 C15 C16 C17 145.7(9) . . . . ?
C18 N1 C18 C19 -4(2) 3_556 . . . ?
C18A N1 C18 C19 66(3) . . . . ?
C18A N1 C18 C19 -52(3) 3_556 . . . ?
Zn1 N1 C18 C19 176(2) . . . . ?
N1 C18 C19 C20 9(5) . . . . ?
C18 C19 C20 C19 -4(2) . . . 3_556 ?
C18 C19 C20 C20 176(2) . . . 2_755 ?
C25 N2 C21 C22 -5(3) . . . . ?
Zn2 N2 C21 C22 -179.1(18) . . . . ?
N2 C21 C22 C23 5(4) . . . . ?
C21 C22 C23 C24 -4(3) . . . . ?
C21 C22 C23 C28 177.9(18) . . . 5_766 ?
C22 C23 C24 C25 4(3) . . . . ?
C28 C23 C24 C25 -178.2(18) 5_766 . . . ?
C21 N2 C25 C24 5(4) . . . . ?
Zn2 N2 C25 C24 178.7(19) . . . . ?
C23 C24 C25 N2 -4(4) . . . . ?
C30 N3 C26 C27 3(3) . . . . ?
Zn3 N3 C26 C27 -176.5(18) . . . . ?
N3 C26 C27 C28 -1(4) . . . . ?
C26 C27 C28 C29 -4(4) . . . . ?
C26 C27 C28 C23 -180(2) . . . 5_766 ?
C27 C28 C29 C30 6(3) . . . . ?
C23 C28 C29 C30 -178.1(18) 5_766 . . . ?
C26 N3 C30 C29 -1(3) . . . . ?
Zn3 N3 C30 C29 178.9(17) . . . . ?
C28 C29 C30 N3 -4(4) . . . . ?
O7 S1 C31 S1 44.6(11) . . . 3_556 ?
C31 S1 C31 S1 -77.1(12) 3_556 . . 3_556 ?
O7 S1 C31 S1 155.6(11) . . . 4_656 ?
C31 S1 C31 S1 33.9(8) 3_556 . . 4_656 ?
O7 S1 C31 S1 121.7(14) . . . 2_655 ?
C31 S1 C31 S1 0.0 3_556 . . 2_655 ?
C18 N1 C18A C19A 55(3) 3_556 . . . ?
C18 N1 C18A C19A -70(3) . . . . ?
C18A N1 C18A C19A 5(2) 3_556 . . . ?
Zn1 N1 C18A C19A -175(2) . . . . ?

_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        11.42
_diffrn_measured_fraction_theta_full 0.972
_refine_diff_density_max         1.184
_refine_diff_density_min         -1.108
_refine_diff_density_rms         0.160
_database_code_depnum_ccdc_archive 'CCDC 985114'
