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

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#                 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
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#  data retrieval see:
#                         www.ccdc.cam.ac.uk
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#  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_a

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C82 H24 N O59 S14 Zn17'
_chemical_formula_weight         3527.15

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

_symmetry_cell_setting           Tetragonal
_symmetry_space_group_name_H-M   I4/mmm

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

_cell_length_a                   24.429(5)
_cell_length_b                   24.429(5)
_cell_length_c                   45.411(11)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     27100(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    29393
_cell_measurement_theta_min      2.1467
_cell_measurement_theta_max      25.0313

_exptl_crystal_description       Prism
_exptl_crystal_colour            Colorless
_exptl_crystal_size_max          0.2000
_exptl_crystal_size_mid          0.2000
_exptl_crystal_size_min          0.2000
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    0.864
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             6916
_exptl_absorpt_coefficient_mu    1.623
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7586
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean none
_diffrn_standards_number         none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_decay_%        none
_diffrn_reflns_number            86165
_diffrn_reflns_av_R_equivalents  0.0721
_diffrn_reflns_av_sigmaI/netI    0.0380
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_l_min       -52
_diffrn_reflns_limit_l_max       53
_diffrn_reflns_theta_min         2.15
_diffrn_reflns_theta_max         25.05
_reflns_number_total             6555
_reflns_number_gt                5342
_reflns_threshold_expression     >2sigma(I)

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

_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)+(0.2500P)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    none
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6555
_refine_ls_number_parameters     262
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.1026
_refine_ls_R_factor_gt           0.0939
_refine_ls_wR_factor_ref         0.3162
_refine_ls_wR_factor_gt          0.2989
_refine_ls_goodness_of_fit_ref   1.100
_refine_ls_restrained_S_all      1.106
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.008

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 0.276549(5) 0.276549(5) 0.162921(4) 0.04111(5) Uani 1 2 d S . .
Zn2 Zn 0.314291(6) 0.221409(6) 0.103319(3) 0.04879(5) Uani 1 1 d . . .
Zn3 Zn 0.196480(5) 0.196480(5) 0.123781(5) 0.04592(5) Uani 1 2 d S . .
Zn4 Zn 0.0000 0.0000 0.242090(10) 0.04670(11) Uani 0.88 8 d SP . .
S1 S 0.131950(17) 0.131950(17) 0.215520(13) 0.08156(17) Uani 1 2 d S . .
S2 S 0.23917(3) 0.0000 0.11977(2) 0.1037(3) Uani 1 2 d S . .
S3 S 0.27178(5) 0.18813(5) 0.0000 0.0655(3) Uani 0.50 2 d SP . .
S4 S 0.5000 0.23802(3) 0.135051(14) 0.07175(18) Uani 1 2 d S . .
O1 O 0.28726(12) 0.19466(11) 0.06452(5) 0.0303(7) Uani 0.25 1 d P . .
O2W O 0.32927(14) 0.24428(14) 0.06513(7) 0.0463(7) Uiso 0.25 1 d P . 1
O1W O 0.0000 0.0000 0.19671(10) 0.155(2) Uani 1 8 d S A 2
O3 O 0.08013(6) 0.08013(6) 0.29132(4) 0.1566(7) Uani 1 2 d S . 2
O4 O 0.31051(6) 0.14300(6) 0.11414(6) 0.1473(8) Uani 1 1 d . . 2
O5 O 0.05906(6) 0.05906(6) 0.24569(5) 0.1171(7) Uani 1 2 d S . 2
O6 O 0.22290(5) 0.11986(5) 0.12264(3) 0.0886(5) Uani 1 1 d . . 2
O7 O 0.38321(4) 0.23455(5) 0.12427(2) 0.0676(3) Uani 1 1 d . . 2
O8 O 0.24204(4) 0.24204(4) 0.19687(3) 0.0595(4) Uani 1 2 d S . 2
O9 O 0.35669(4) 0.27020(5) 0.16750(3) 0.0740(4) Uani 1 1 d . . 2
O10 O 0.19567(5) 0.19567(5) 0.07673(4) 0.0344(5) Uani 0.50 2 d SP . 2
O11 O 0.18891(5) 0.18891(5) 0.17005(4) 0.0988(6) Uani 1 2 d S . 2
O2 O 0.25354(3) 0.25354(3) 0.12449(2) 0.0462(3) Uani 1 2 d S . 2
C1 C 0.22175(17) 0.18270(19) 0.02528(10) 0.0498(12) Uani 0.25 1 d P . 2
C3 C 0.23701(17) 0.18859(15) 0.05993(9) 0.0317(10) Uani 0.25 1 d P . 2
C4 C 0.33620(13) 0.02976(10) 0.10388(8) 0.1693(16) Uani 1 1 d . . 2
H4A H 0.3664 0.0511 0.0990 0.203 Uiso 1 1 calc R . 2
C5 C 0.45011(7) 0.26109(9) 0.15775(4) 0.0838(6) Uani 1 1 d . . 2
C6 C 0.08492(6) 0.08492(6) 0.26398(5) 0.0751(6) Uani 1 2 d S . 2
C7 C 0.47021(8) 0.28520(12) 0.18237(5) 0.1383(10) Uani 1 1 d . . 2
H7A H 0.4487 0.2998 0.1973 0.166 Uiso 1 1 calc R . 2
C8 C 0.27032(9) 0.10841(10) 0.11764(8) 0.1261(11) Uani 1 1 d . . 2
C9 C 0.28825(11) 0.04985(10) 0.11161(7) 0.1327(11) Uani 1 1 d . . 2
C10 C 0.19026(7) 0.19026(7) 0.24890(5) 0.0739(7) Uani 1 2 d S . 2
H10A H 0.2155 0.2155 0.2559 0.089 Uiso 1 2 calc SR . 2
C11 C 0.15808(6) 0.15808(6) 0.26657(5) 0.0876(7) Uani 1 2 d S . 2
H11A H 0.1598 0.1598 0.2870 0.105 Uiso 1 2 calc SR . 2
C12 C 0.12455(6) 0.12455(6) 0.25270(5) 0.0654(6) Uani 1 2 d S . 2
C13 C 0.20523(6) 0.20523(6) 0.19268(4) 0.0534(5) Uani 1 2 d S . 2
C14 C 0.39307(6) 0.25439(6) 0.14969(3) 0.0629(4) Uani 1 1 d . . 2
C15 C 0.18113(5) 0.18113(5) 0.22118(4) 0.0538(5) Uani 1 2 d S . 2
C2 C 0.17534(18) 0.17534(18) 0.01518(11) 0.1112(18) Uani 0.50 2 d SP . 2
C20 C 0.06691(4) 0.0000 0.30977(2) 0.0070(2) Uani 1 2 d SD B 2
Zn4' Zn 0.0000 0.0000 0.25511(9) 0.0482(9) Uani 0.12 8 d SP . 2
N1 N 0.0000 0.0000 0.29856(11) 0.1061(15) Uiso 1 8 d SD . 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 O2 1.9177(11) . ?
Zn1 O8 1.9490(13) . ?
Zn1 O9 1.9749(11) 24 ?
Zn1 O9 1.9749(11) . ?
Zn2 O2W 1.858(3) . ?
Zn2 O2 1.9347(7) . ?
Zn2 O7 1.9603(11) . ?
Zn2 O4 1.9796(16) . ?
Zn2 O1 1.992(2) . ?
Zn2 Zn3 3.0850(6) . ?
Zn3 O2 1.9715(12) . ?
Zn3 O6 1.9805(13) 24 ?
Zn3 O6 1.9805(13) . ?
Zn3 O11 2.1173(19) . ?
Zn3 O10 2.1368(19) . ?
Zn3 Zn2 3.0850(6) 24 ?
Zn4 Zn4' 0.591(4) . ?
Zn4 O5 2.047(2) . ?
Zn4 O5 2.047(2) 4 ?
Zn4 O5 2.047(2) 3 ?
Zn4 O5 2.047(2) 2 ?
Zn4 O1W 2.061(5) . ?
S1 C12 1.708(2) . ?
S1 C15 1.7183(19) . ?
S2 C9 1.749(3) . ?
S2 C9 1.749(3) 23 ?
S3 C1 1.682(4) 19 ?
S3 C1 1.682(4) . ?
S4 C5 1.6927(19) 21_655 ?
S4 C5 1.6927(18) . ?
O1 C3 1.254(5) . ?
O1 O2W 1.588(4) . ?
O3 C6 1.252(3) . ?
O4 C8 1.305(3) . ?
O5 C6 1.220(3) . ?
O5 Zn4' 2.085(2) . ?
O6 C8 1.213(3) . ?
O7 C14 1.2749(19) . ?
O8 C13 1.286(2) . ?
O9 C14 1.2622(18) . ?
O10 C3 1.277(4) 24 ?
O10 C3 1.277(4) . ?
O11 C13 1.172(3) . ?
O2 Zn2 1.9347(7) 24 ?
C1 C2 1.236(6) . ?
C1 C1 1.349(9) 24 ?
C1 C3 1.624(6) . ?
C3 C3 1.673(8) 24 ?
C4 C9 1.317(4) . ?
C4 C4 1.454(5) 23 ?
C4 H4A 0.9300 . ?
C5 C7 1.356(3) . ?
C5 C14 1.450(2) . ?
C6 C12 1.462(3) . ?
C7 C7 1.455(4) 21_655 ?
C7 H7A 0.9300 . ?
C8 C9 1.521(3) . ?
C10 C15 1.298(3) . ?
C10 C11 1.371(3) . ?
C10 H10A 0.9300 . ?
C11 C12 1.318(3) . ?
C11 H11A 0.9300 . ?
C13 C15 1.539(3) . ?
C2 C1 1.236(6) 24 ?
C2 C2 1.379(10) 19 ?
C20 N1 1.7120(17) . ?
Zn4' N1 1.973(6) . ?
Zn4' O5 2.085(2) 4 ?
Zn4' O5 2.085(2) 3 ?
Zn4' O5 2.085(2) 2 ?
N1 C20 1.7120(17) 2 ?
N1 C20 1.7120(17) 4 ?
N1 C20 1.7120(17) 3 ?

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 O8 117.79(5) . . ?
O2 Zn1 O9 111.31(4) . 24 ?
O8 Zn1 O9 108.15(4) . 24 ?
O2 Zn1 O9 111.31(4) . . ?
O8 Zn1 O9 108.15(4) . . ?
O9 Zn1 O9 98.32(7) 24 . ?
O2W Zn2 O2 119.52(11) . . ?
O2W Zn2 O7 103.57(11) . . ?
O2 Zn2 O7 110.56(5) . . ?
O2W Zn2 O4 122.12(13) . . ?
O2 Zn2 O4 103.50(6) . . ?
O7 Zn2 O4 94.48(6) . . ?
O2W Zn2 O1 48.58(13) . . ?
O2 Zn2 O1 108.57(9) . . ?
O7 Zn2 O1 140.15(9) . . ?
O4 Zn2 O1 83.49(10) . . ?
O2W Zn2 Zn3 121.61(11) . . ?
O2 Zn2 Zn3 38.26(3) . . ?
O7 Zn2 Zn3 133.42(3) . . ?
O4 Zn2 Zn3 71.98(5) . . ?
O1 Zn2 Zn3 83.82(8) . . ?
O2 Zn3 O6 115.99(4) . 24 ?
O2 Zn3 O6 115.99(4) . . ?
O6 Zn3 O6 127.97(7) 24 . ?
O2 Zn3 O11 96.16(5) . . ?
O6 Zn3 O11 88.39(5) 24 . ?
O6 Zn3 O11 88.39(5) . . ?
O2 Zn3 O10 91.69(6) . . ?
O6 Zn3 O10 88.17(5) 24 . ?
O6 Zn3 O10 88.17(5) . . ?
O11 Zn3 O10 172.15(7) . . ?
O2 Zn3 Zn2 37.418(16) . . ?
O6 Zn3 Zn2 144.04(4) 24 . ?
O6 Zn3 Zn2 82.80(4) . . ?
O11 Zn3 Zn2 113.43(4) . . ?
O10 Zn3 Zn2 73.10(4) . . ?
O2 Zn3 Zn2 37.418(16) . 24 ?
O6 Zn3 Zn2 82.80(4) 24 24 ?
O6 Zn3 Zn2 144.04(4) . 24 ?
O11 Zn3 Zn2 113.43(4) . 24 ?
O10 Zn3 Zn2 73.10(4) . 24 ?
Zn2 Zn3 Zn2 62.675(7) . 24 ?
Zn4' Zn4 O5 85.42(6) . . ?
Zn4' Zn4 O5 85.42(6) . 4 ?
O5 Zn4 O5 89.635(10) . 4 ?
Zn4' Zn4 O5 85.42(6) . 3 ?
O5 Zn4 O5 170.84(12) . 3 ?
O5 Zn4 O5 89.635(10) 4 3 ?
Zn4' Zn4 O5 85.42(6) . 2 ?
O5 Zn4 O5 89.635(10) . 2 ?
O5 Zn4 O5 170.84(12) 4 2 ?
O5 Zn4 O5 89.634(10) 3 2 ?
Zn4' Zn4 O1W 180.000(1) . . ?
O5 Zn4 O1W 94.58(6) . . ?
O5 Zn4 O1W 94.58(6) 4 . ?
O5 Zn4 O1W 94.58(6) 3 . ?
O5 Zn4 O1W 94.58(6) 2 . ?
C12 S1 C15 90.01(10) . . ?
C9 S2 C9 88.28(17) . 23 ?
C1 S3 C1 86.1(3) 19 . ?
C5 S4 C5 92.10(13) 21_655 . ?
C3 O1 O2W 136.5(3) . . ?
C3 O1 Zn2 120.7(2) . . ?
O2W O1 Zn2 61.32(14) . . ?
O1 O2W Zn2 70.10(15) . . ?
C8 O4 Zn2 133.77(15) . . ?
C6 O5 Zn4 141.66(18) . . ?
C6 O5 Zn4' 125.2(2) . . ?
Zn4 O5 Zn4' 16.42(11) . . ?
C8 O6 Zn3 122.27(14) . . ?
C14 O7 Zn2 131.60(10) . . ?
C13 O8 Zn1 119.20(11) . . ?
C14 O9 Zn1 130.88(10) . . ?
C3 O10 C3 81.8(4) 24 . ?
C3 O10 Zn3 126.2(2) 24 . ?
C3 O10 Zn3 126.2(2) . . ?
C13 O11 Zn3 144.15(16) . . ?
Zn1 O2 Zn2 110.26(4) . 24 ?
Zn1 O2 Zn2 110.26(4) . . ?
Zn2 O2 Zn2 112.05(5) 24 . ?
Zn1 O2 Zn3 115.43(5) . . ?
Zn2 O2 Zn3 104.32(4) 24 . ?
Zn2 O2 Zn3 104.32(4) . . ?
C2 C1 C1 56.9(3) . 24 ?
C2 C1 C3 125.7(4) . . ?
C1 C1 C3 95.7(2) 24 . ?
C2 C1 S3 115.1(4) . . ?
C1 C1 S3 117.26(16) 24 . ?
C3 C1 S3 119.2(3) . . ?
O1 C3 O10 131.2(4) . . ?
O1 C3 C1 113.3(3) . . ?
O10 C3 C1 114.2(3) . . ?
O1 C3 C3 127.5(2) . 24 ?
O10 C3 C3 49.10(18) . 24 ?
C1 C3 C3 84.3(2) . 24 ?
C9 C4 C4 111.87(15) . 23 ?
C9 C4 H4A 124.1 . . ?
C4 C4 H4A 124.1 23 . ?
C7 C5 C14 127.24(17) . . ?
C7 C5 S4 112.71(14) . . ?
C14 C5 S4 120.04(14) . . ?
O5 C6 O3 125.3(2) . . ?
O5 C6 C12 116.6(2) . . ?
O3 C6 C12 118.1(2) . . ?
C5 C7 C7 111.23(11) . 21_655 ?
C5 C7 H7A 124.4 . . ?
C7 C7 H7A 124.4 21_655 . ?
O6 C8 O4 126.3(2) . . ?
O6 C8 C9 121.7(2) . . ?
O4 C8 C9 111.7(2) . . ?
C4 C9 C8 130.9(2) . . ?
C4 C9 S2 113.99(19) . . ?
C8 C9 S2 114.80(19) . . ?
C15 C10 C11 111.7(2) . . ?
C15 C10 H10A 124.1 . . ?
C11 C10 H10A 124.1 . . ?
C12 C11 C10 115.6(2) . . ?
C12 C11 H11A 122.2 . . ?
C10 C11 H11A 122.2 . . ?
C11 C12 C6 130.9(2) . . ?
C11 C12 S1 109.93(17) . . ?
C6 C12 S1 119.12(16) . . ?
O11 C13 O8 127.27(18) . . ?
O11 C13 C15 118.48(19) . . ?
O8 C13 C15 114.24(15) . . ?
O9 C14 O7 124.30(13) . . ?
O9 C14 C5 118.71(14) . . ?
O7 C14 C5 116.93(14) . . ?
C10 C15 C13 133.17(18) . . ?
C10 C15 S1 112.67(16) . . ?
C13 C15 S1 114.16(13) . . ?
C1 C2 C1 66.1(5) . 24 ?
C1 C2 C2 111.8(3) . 19 ?
C1 C2 C2 111.8(3) 24 19 ?
Zn4 Zn4' N1 180.000(1) . . ?
Zn4 Zn4' O5 78.16(12) . . ?
N1 Zn4' O5 101.84(12) . . ?
Zn4 Zn4' O5 78.16(12) . 4 ?
N1 Zn4' O5 101.84(12) . 4 ?
O5 Zn4' O5 87.59(5) . 4 ?
Zn4 Zn4' O5 78.16(12) . 3 ?
N1 Zn4' O5 101.84(12) . 3 ?
O5 Zn4' O5 156.3(2) . 3 ?
O5 Zn4' O5 87.59(5) 4 3 ?
Zn4 Zn4' O5 78.16(12) . 2 ?
N1 Zn4' O5 101.84(12) . 2 ?
O5 Zn4' O5 87.59(5) . 2 ?
O5 Zn4' O5 156.3(2) 4 2 ?
O5 Zn4' O5 87.59(5) 3 2 ?
C20 N1 C20 84.92(9) 2 . ?
C20 N1 C20 145.4(3) 2 4 ?
C20 N1 C20 84.92(9) . 4 ?
C20 N1 C20 84.92(9) 2 3 ?
C20 N1 C20 145.4(3) . 3 ?
C20 N1 C20 84.92(9) 4 3 ?
C20 N1 Zn4' 107.30(16) 2 . ?
C20 N1 Zn4' 107.30(16) . . ?
C20 N1 Zn4' 107.30(16) 4 . ?
C20 N1 Zn4' 107.30(16) 3 . ?

_diffrn_measured_fraction_theta_max 0.990
_diffrn_reflns_theta_full        25.05
_diffrn_measured_fraction_theta_full 0.990
_refine_diff_density_max         2.472
_refine_diff_density_min         -0.852
_refine_diff_density_rms         0.167
_database_code_depnum_ccdc_archive 'CCDC 973916'
