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# 
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#  This CIF contains data from an original supplementary publication
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#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
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data_UMCM12

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            UMCM-12
_chemical_melting_point          ?
_chemical_formula_moiety         'C98 H68 N2 O26 Zn8 + solvent (squeezed)'
_chemical_formula_sum            'C98 H68 N2 O26 Zn8'
_chemical_formula_weight         2212.50

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn -1.5491 0.6778 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   Pnma

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

_cell_length_a                   24.8949(5)
_cell_length_b                   42.564(3)
_cell_length_c                   32.7857(6)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     34741(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    95(2)
_cell_measurement_reflns_used    53511
_cell_measurement_theta_min      2.10
_cell_measurement_theta_max      64.30

_exptl_crystal_description       prism
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    0.423
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4472
_exptl_absorpt_coefficient_mu    0.776
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8729
_exptl_absorpt_correction_T_max  0.9549
_exptl_absorpt_process_details   
; 
    Higashi, T. (1995). Program for Absorption Correction. 
    Rigaku Corporation, Tokyo, Japan. 
;


_exptl_special_details           
; 
 2068 images x 10 sec / 45 sec @ 42.00 mm, 1.0 deg omega scans; 40kV/30mA 
;

_diffrn_ambient_temperature      95(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'micro-focus rotating anode'
_diffrn_radiation_monochromator  confocal
_diffrn_measurement_device_type  'Rigaku Saturn70 CCD'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 29.257
_diffrn_reflns_number            473511
_diffrn_reflns_av_R_equivalents  0.2638
_diffrn_reflns_av_sigmaI/netI    0.1041
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_k_min       -50
_diffrn_reflns_limit_k_max       50
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_theta_min         2.08
_diffrn_reflns_theta_max         65.08
_reflns_number_total             30035
_reflns_number_gt                12189
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrystalClear-SM Expert 2.0 r12 (Rigaku, 2011)'
_computing_cell_refinement       'CrystalClear-SM Expert 2.0 r12'
_computing_data_reduction        'CrystalClear-SM Expert 2.0 r12'
_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          
; 
 The structure contains a very large solvent accessible cavity centered about the 
 inversion center at (0, 0, 0).  The SQUEEZE subroutine of the PLATON program suite 
 calculated a volume of 27976.6 A^3 for the solvent accessible void and an 
 estimated contribution of 9267 electrons per unit cell due to diffuse solvent 
 scattering.  As the composition of the solvent/oil in the cavity is unknown, 
 it has not been included in any of the dependent crystal parameters (formula, 
 density, linear absorption, etc.). 
  
 Prior to SQUEEZE, the refined model had the following residuals: 
 R1 = 0.1792 (obs), 0.2436 (all data) 
 wR2 = 0.4649 (obs), 0.4929 (all data). 
  
 - PLATON Reference : Spek, A.L. (2003). J. Appl. Cryst. 36, 7-13. 
                     Spek, A.L. (2009). Acta Cryst. D65, 148-155. 
 Version 51012 used. 
  
 Restraints (SIMU/DELU/FLAT) were applied as needed to maintain chemical sensibility. 
 The restraints are appended here. 
  
 flat .05 c2 > c8 
 flat c8 c9 c10 c11 c12 c11_$1 c9_$1 
 flat .05 c8 c9 c10 c11 c12 c11_$1 c9_$1 
 dfix 1.52 c5 c8 
 simu c1 o2 o3 
 delu c1 o2 o3 
 simu c13 o4 o5 
 delu c13 o4 o5 
 simu c17 o6 o7 
 delu c17 o6 o7 
 simu c29 o8 o9 
 delu c29 o8 o9 
 simu c42 o10 o11 
 delu c42 o10 o11 
 simu c49 o12 o13 
 delu c49 o12 o13 
 simu c2 > c8 
 delu c2 > c8 
 simu c18 > c23 
 delu c18 > c23 
 simu c30 > c35 
 delu c30 > c35 
 simu c36 > 41 
 delu c36 > c41 
 simu c43 > c48 
 delu c43 > c48 
 simu c8 > c12 
 delu c8 > c12 
 simu c24 > c28 
 delu c24 > c28 
  
 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)+(0.0411P)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         30035
_refine_ls_number_parameters     604
_refine_ls_number_restraints     381
_refine_ls_R_factor_all          0.0966
_refine_ls_R_factor_gt           0.0651
_refine_ls_wR_factor_ref         0.1525
_refine_ls_wR_factor_gt          0.1473
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_restrained_S_all      1.037
_refine_ls_shift/su_max          0.001
_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 0.716471(12) -0.031385(9) 0.425535(12) 0.08073(12) Uani 1 1 d . . .
Zn2 Zn 0.833399(11) -0.021980(8) 0.392365(11) 0.07440(11) Uani 1 1 d . . .
Zn3 Zn 0.787608(11) 0.024230(8) 0.459613(11) 0.07666(11) Uani 1 1 d . . .
Zn4 Zn 0.742388(11) 0.026480(8) 0.368849(11) 0.07650(11) Uani 1 1 d . . .
O1 O 0.77064(5) -0.00074(4) 0.41168(5) 0.0672(5) Uani 1 1 d . . .
O2 O 0.73757(8) -0.07267(4) 0.41524(8) 0.1210(8) Uani 1 1 d U . .
O3 O 0.82335(7) -0.06731(5) 0.39221(7) 0.1112(8) Uani 1 1 d U . .
O4 O 0.89315(6) -0.01415(5) 0.42636(6) 0.1006(7) Uani 1 1 d U . .
O5 O 0.86046(6) 0.01796(4) 0.47534(6) 0.0916(6) Uani 1 1 d U . .
O6 O 0.77717(8) 0.06794(5) 0.45026(7) 0.1024(7) Uani 1 1 d U . .
O7 O 0.74621(7) 0.06974(4) 0.38341(7) 0.0951(6) Uani 1 1 d U . .
O8 O 0.74412(6) 0.01222(5) 0.50635(6) 0.1019(7) Uani 1 1 d U . .
O9 O 0.69752(8) -0.02829(6) 0.48193(7) 0.1146(8) Uani 1 1 d U . .
O10 O 0.33297(6) -0.01903(5) 0.64206(5) 0.0929(6) Uani 1 1 d U . .
O11 O 0.34979(7) 0.02339(5) 0.60187(7) 0.1139(8) Uani 1 1 d U . .
O12 O 0.64844(6) 0.00865(5) 0.83858(6) 0.0930(6) Uani 1 1 d U . .
O13 O 0.71872(6) -0.02133(5) 0.81873(6) 0.0938(6) Uani 1 1 d U . .
N1 N 0.58762(8) -0.01224(10) 0.65338(8) 0.1758(18) Uani 1 1 d . . .
C1 C 0.78421(13) -0.08377(8) 0.40129(12) 0.1209(13) Uani 1 1 d U . .
C2 C 0.78988(15) -0.11809(8) 0.40075(13) 0.1571(18) Uani 1 1 d DU . .
C3 C 0.83823(15) -0.13128(8) 0.38726(12) 0.178(2) Uani 1 1 d DU . .
H3 H 0.8678 -0.1184 0.3798 0.214 Uiso 1 1 calc R . .
C4 C 0.84161(19) -0.16255(10) 0.38515(15) 0.238(3) Uani 1 1 d DU . .
H4 H 0.8739 -0.1719 0.3756 0.286 Uiso 1 1 calc R . .
C5 C 0.7965(2) -0.18304(9) 0.3973(2) 0.249(3) Uani 1 1 d DU . .
C6 C 0.7523(2) -0.16970(9) 0.4082(2) 0.261(3) Uani 1 1 d DU . .
H6 H 0.7216 -0.1822 0.4139 0.314 Uiso 1 1 calc R . .
C7 C 0.74902(18) -0.13824(9) 0.41154(17) 0.203(2) Uani 1 1 d DU . .
H7 H 0.7167 -0.1294 0.4219 0.244 Uiso 1 1 calc R . .
C8 C 0.8058(2) -0.21609(9) 0.39439(19) 0.266(2) Uani 1 1 d DU . .
C9 C 0.8173(2) -0.23363(9) 0.4225(2) 0.315(3) Uani 1 1 d DU . .
C10 C 0.8345(3) -0.21545(14) 0.4640(2) 0.461(6) Uani 1 1 d DU . .
H10A H 0.8437 -0.2309 0.4851 0.691 Uiso 0.50 1 calc PR . .
H10B H 0.8046 -0.2024 0.4735 0.691 Uiso 0.50 1 calc PR . .
H10C H 0.8658 -0.2021 0.4586 0.691 Uiso 0.50 1 calc PR . .
H10D H 0.8323 -0.1927 0.4597 0.691 Uiso 0.50 1 calc PR . .
H10E H 0.8714 -0.2212 0.4713 0.691 Uiso 0.50 1 calc PR . .
H10F H 0.8102 -0.2215 0.4862 0.691 Uiso 0.50 1 calc PR . .
C11 C 0.7896(3) -0.23293(10) 0.3599(2) 0.284(3) Uani 1 1 d DU . .
C12 C 0.7730(3) -0.21461(13) 0.3187(2) 0.407(6) Uani 1 1 d DU . .
H12A H 0.7629 -0.2299 0.2977 0.610 Uiso 0.50 1 calc PR . .
H12B H 0.8035 -0.2021 0.3091 0.610 Uiso 0.50 1 calc PR . .
H12C H 0.7424 -0.2008 0.3243 0.610 Uiso 0.50 1 calc PR . .
H12D H 0.7763 -0.1919 0.3230 0.610 Uiso 0.50 1 calc PR . .
H12E H 0.7357 -0.2197 0.3116 0.610 Uiso 0.50 1 calc PR . .
H12F H 0.7968 -0.2211 0.2964 0.610 Uiso 0.50 1 calc PR . .
C13 C 0.89826(9) 0.00183(8) 0.45851(10) 0.0960(10) Uani 1 1 d U . .
C14 C 0.95012(9) 0.00119(8) 0.48008(9) 0.0932(10) Uani 1 1 d . . .
C15 C 0.99284(11) -0.01673(8) 0.46372(10) 0.1101(12) Uani 1 1 d . . .
H15 H 0.9878 -0.0282 0.4391 0.132 Uiso 1 1 calc R . .
C16 C 0.95856(11) 0.01765(8) 0.51679(10) 0.1124(12) Uani 1 1 d . . .
H16 H 0.9301 0.0296 0.5282 0.135 Uiso 1 1 calc R . .
C17 C 0.76200(12) 0.08117(7) 0.41721(12) 0.1030(11) Uani 1 1 d U . .
C18 C 0.76308(14) 0.11575(9) 0.41771(12) 0.1271(13) Uani 1 1 d U . .
C19 C 0.7485(2) 0.13362(10) 0.38067(15) 0.1774(19) Uani 1 1 d U . .
H19 H 0.7392 0.1226 0.3564 0.213 Uiso 1 1 calc R . .
C20 C 0.7482(2) 0.16598(11) 0.38084(17) 0.214(2) Uani 1 1 d U . .
H20 H 0.7389 0.1771 0.3567 0.257 Uiso 1 1 calc R . .
C21 C 0.7608(3) 0.18200(11) 0.4147(2) 0.244(3) Uani 1 1 d U . .
C22 C 0.7809(2) 0.16607(10) 0.45318(17) 0.205(2) Uani 1 1 d U . .
H22 H 0.7921 0.1779 0.4762 0.246 Uiso 1 1 calc R . .
C23 C 0.7822(2) 0.13272(10) 0.45344(15) 0.179(2) Uani 1 1 d U . .
H23 H 0.7953 0.1217 0.4766 0.214 Uiso 1 1 calc R . .
C24 C 0.7664(3) 0.21633(11) 0.4161(3) 0.288(3) Uani 1 1 d DU . .
C25 C 0.8085(3) 0.23385(10) 0.4087(3) 0.301(4) Uani 1 1 d DU . .
C26 C 0.8588(3) 0.21570(14) 0.3842(3) 0.445(6) Uani 1 1 d DU . .
H26A H 0.8926 0.2267 0.3898 0.667 Uiso 1 1 calc R . .
H26B H 0.8517 0.2159 0.3548 0.667 Uiso 1 1 calc R . .
H26C H 0.8614 0.1939 0.3938 0.667 Uiso 1 1 calc R . .
C27 C 0.7213(3) 0.23298(10) 0.4296(2) 0.274(3) Uani 1 1 d DU . .
C28 C 0.6669(3) 0.21616(13) 0.4489(3) 0.396(6) Uani 1 1 d DU . .
H28A H 0.6613 0.2236 0.4769 0.594 Uiso 1 1 calc R . .
H28B H 0.6716 0.1933 0.4491 0.594 Uiso 1 1 calc R . .
H28C H 0.6356 0.2216 0.4322 0.594 Uiso 1 1 calc R . .
C29 C 0.70995(10) -0.00887(9) 0.51043(10) 0.1106(12) Uani 1 1 d U . .
C30 C 0.67992(9) -0.01091(9) 0.54812(10) 0.1142(12) Uani 1 1 d U . .
C31 C 0.63605(11) -0.03193(10) 0.55095(10) 0.1391(15) Uani 1 1 d U . .
H31 H 0.6273 -0.0452 0.5286 0.167 Uiso 1 1 calc R . .
C32 C 0.60631(11) -0.03312(12) 0.58601(10) 0.1593(17) Uani 1 1 d U . .
H32 H 0.5772 -0.0474 0.5883 0.191 Uiso 1 1 calc R . .
C33 C 0.61921(11) -0.01285(13) 0.61888(10) 0.1640(19) Uani 1 1 d U . .
C34 C 0.66381(12) 0.00748(12) 0.61693(11) 0.1605(18) Uani 1 1 d U . .
H34 H 0.6733 0.0203 0.6395 0.193 Uiso 1 1 calc R . .
C35 C 0.69362(11) 0.00824(10) 0.58086(10) 0.1332(14) Uani 1 1 d U . .
H35 H 0.7236 0.0220 0.5787 0.160 Uiso 1 1 calc R . .
C36 C 0.53077(12) -0.00914(12) 0.64714(10) 0.1535(17) Uani 1 1 d U . .
C37 C 0.51287(12) 0.01379(11) 0.61963(11) 0.1593(18) Uani 1 1 d U . .
H37 H 0.5377 0.0269 0.6056 0.191 Uiso 1 1 calc R . .
C38 C 0.45835(11) 0.01694(9) 0.61332(10) 0.1314(14) Uani 1 1 d U . .
H38 H 0.4456 0.0320 0.5943 0.158 Uiso 1 1 calc R . .
C39 C 0.42189(9) -0.00167(9) 0.63438(9) 0.1063(11) Uani 1 1 d U . .
C40 C 0.44060(10) -0.02399(9) 0.66333(10) 0.1255(14) Uani 1 1 d U . .
H40 H 0.4157 -0.0364 0.6782 0.151 Uiso 1 1 calc R . .
C41 C 0.49465(11) -0.02752(11) 0.66967(10) 0.1566(17) Uani 1 1 d U . .
H41 H 0.5075 -0.0423 0.6891 0.188 Uiso 1 1 calc R . .
C42 C 0.36316(9) 0.00102(9) 0.62576(10) 0.0967(11) Uani 1 1 d U . .
C43 C 0.60835(10) -0.01163(12) 0.69341(10) 0.1537(18) Uani 1 1 d U . .
C44 C 0.58218(11) 0.00438(11) 0.72502(10) 0.1453(16) Uani 1 1 d U . .
H44 H 0.5484 0.0140 0.7199 0.174 Uiso 1 1 calc R . .
C45 C 0.60356(10) 0.00638(9) 0.76204(9) 0.1199(13) Uani 1 1 d U . .
H45 H 0.5855 0.0183 0.7823 0.144 Uiso 1 1 calc R . .
C46 C 0.65180(9) -0.00850(8) 0.77211(9) 0.0995(11) Uani 1 1 d U . .
C47 C 0.67869(10) -0.02481(9) 0.74115(9) 0.1186(13) Uani 1 1 d U . .
H47 H 0.7121 -0.0347 0.7468 0.142 Uiso 1 1 calc R . .
C48 C 0.65698(11) -0.02655(11) 0.70266(11) 0.1513(17) Uani 1 1 d U . .
H48 H 0.6752 -0.0380 0.6820 0.182 Uiso 1 1 calc R . .
C49 C 0.67547(10) -0.00685(8) 0.81187(9) 0.0874(9) Uani 1 1 d U . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Zn1 O2 1.865(2) . ?
Zn1 O11 1.9089(19) 5_656 ?
Zn1 O9 1.913(2) . ?
Zn1 O1 1.9301(15) . ?
Zn1 Zn2 3.1331(4) . ?
Zn1 Zn4 3.1522(5) . ?
Zn2 O4 1.8884(18) . ?
Zn2 O12 1.9066(19) 2_654 ?
Zn2 O1 1.9130(14) . ?
Zn2 O3 1.945(2) . ?
Zn2 Zn4 3.1595(5) . ?
Zn3 O6 1.903(2) . ?
Zn3 O5 1.9043(16) . ?
Zn3 O1 1.9437(16) . ?
Zn3 O8 1.9445(19) . ?
Zn4 O7 1.9048(19) . ?
Zn4 O13 1.9197(18) 2_654 ?
Zn4 O10 1.9360(16) 5_656 ?
Zn4 O1 1.9518(15) . ?
O2 C1 1.334(4) . ?
O3 C1 1.237(4) . ?
O4 C13 1.261(4) . ?
O5 C13 1.289(3) . ?
O6 C17 1.278(4) . ?
O7 C17 1.272(4) . ?
O8 C29 1.244(4) . ?
O9 C29 1.285(4) . ?
O10 C42 1.257(3) . ?
O10 Zn4 1.9360(16) 5_656 ?
O11 C42 1.277(4) . ?
O11 Zn1 1.9089(19) 5_656 ?
O12 C49 1.286(3) . ?
O12 Zn2 1.9066(19) 2_655 ?
O13 C49 1.261(3) . ?
O13 Zn4 1.9197(18) 2_655 ?
N1 C33 1.378(4) . ?
N1 C43 1.411(4) . ?
N1 C36 1.436(4) . ?
C1 C2 1.467(5) . ?
C2 C7 1.377(5) . ?
C2 C3 1.400(5) . ?
C3 C4 1.336(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.476(7) . ?
C4 H4 0.9500 . ?
C5 C6 1.290(7) . ?
C5 C8 1.429(5) . ?
C6 C7 1.346(5) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C8 C9 1.221(8) . ?
C8 C11 1.397(8) . ?
C9 C9 1.393(8) 8 ?
C9 C10 1.623(8) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C10 H10D 0.9800 . ?
C10 H10E 0.9800 . ?
C10 H10F 0.9800 . ?
C11 C11 1.453(9) 8 ?
C11 C12 1.615(8) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C12 H12D 0.9800 . ?
C12 H12E 0.9800 . ?
C12 H12F 0.9800 . ?
C13 C14 1.472(3) . ?
C14 C16 1.408(4) . ?
C14 C15 1.414(4) . ?
C15 C16 1.369(4) 5_756 ?
C15 H15 0.9500 . ?
C16 C15 1.369(4) 5_756 ?
C16 H16 0.9500 . ?
C17 C18 1.472(5) . ?
C18 C23 1.456(6) . ?
C18 C19 1.478(6) . ?
C19 C20 1.378(6) . ?
C19 H19 0.9500 . ?
C20 C21 1.341(7) . ?
C20 H20 0.9500 . ?
C21 C24 1.468(7) . ?
C21 C22 1.516(7) . ?
C22 C23 1.420(6) . ?
C22 H22 0.9500 . ?
C23 H23 0.9500 . ?
C24 C25 1.309(8) . ?
C24 C27 1.400(8) . ?
C25 C25 1.375(9) 8_565 ?
C25 C26 1.675(8) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 C27 1.449(9) 8_565 ?
C27 C28 1.658(8) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C30 1.447(4) . ?
C30 C35 1.390(5) . ?
C30 C31 1.415(5) . ?
C31 C32 1.368(4) . ?
C31 H31 0.9500 . ?
C32 C33 1.417(6) . ?
C32 H32 0.9500 . ?
C33 C34 1.409(5) . ?
C34 C35 1.397(4) . ?
C34 H34 0.9500 . ?
C35 H35 0.9500 . ?
C36 C37 1.402(6) . ?
C36 C41 1.402(5) . ?
C37 C38 1.379(4) . ?
C37 H37 0.9500 . ?
C38 C39 1.389(4) . ?
C38 H38 0.9500 . ?
C39 C40 1.421(5) . ?
C39 C42 1.494(3) . ?
C40 C41 1.370(4) . ?
C40 H40 0.9500 . ?
C41 H41 0.9500 . ?
C43 C48 1.400(5) . ?
C43 C44 1.401(5) . ?
C44 C45 1.328(4) . ?
C44 H44 0.9500 . ?
C45 C46 1.397(4) . ?
C45 H45 0.9500 . ?
C46 C47 1.400(4) . ?
C46 C49 1.432(4) . ?
C47 C48 1.375(4) . ?
C47 H47 0.9500 . ?
C48 H48 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
O2 Zn1 O11 109.03(10) . 5_656 ?
O2 Zn1 O9 108.03(11) . . ?
O11 Zn1 O9 103.28(9) 5_656 . ?
O2 Zn1 O1 113.41(8) . . ?
O11 Zn1 O1 111.87(8) 5_656 . ?
O9 Zn1 O1 110.68(8) . . ?
O2 Zn1 Zn2 78.22(6) . . ?
O11 Zn1 Zn2 128.07(7) 5_656 . ?
O9 Zn1 Zn2 123.77(6) . . ?
O1 Zn1 Zn2 35.21(5) . . ?
O2 Zn1 Zn4 124.88(8) . . ?
O11 Zn1 Zn4 76.12(7) 5_656 . ?
O9 Zn1 Zn4 124.51(7) . . ?
O1 Zn1 Zn4 35.94(4) . . ?
Zn2 Zn1 Zn4 60.354(10) . . ?
O4 Zn2 O12 107.85(8) . 2_654 ?
O4 Zn2 O1 111.38(7) . . ?
O12 Zn2 O1 111.05(7) 2_654 . ?
O4 Zn2 O3 106.14(9) . . ?
O12 Zn2 O3 108.86(9) 2_654 . ?
O1 Zn2 O3 111.37(7) . . ?
O4 Zn2 Zn1 123.33(6) . . ?
O12 Zn2 Zn1 125.40(5) 2_654 . ?
O1 Zn2 Zn1 35.57(5) . . ?
O3 Zn2 Zn1 75.80(5) . . ?
O4 Zn2 Zn4 126.41(6) . . ?
O12 Zn2 Zn4 75.53(5) 2_654 . ?
O1 Zn2 Zn4 35.57(5) . . ?
O3 Zn2 Zn4 123.68(6) . . ?
Zn1 Zn2 Zn4 60.122(11) . . ?
O6 Zn3 O5 108.10(8) . . ?
O6 Zn3 O1 112.00(8) . . ?
O5 Zn3 O1 110.44(7) . . ?
O6 Zn3 O8 107.93(9) . . ?
O5 Zn3 O8 106.26(8) . . ?
O1 Zn3 O8 111.85(7) . . ?
O7 Zn4 O13 107.44(9) . 2_654 ?
O7 Zn4 O10 104.66(8) . 5_656 ?
O13 Zn4 O10 108.18(7) 2_654 5_656 ?
O7 Zn4 O1 112.06(8) . . ?
O13 Zn4 O1 111.49(7) 2_654 . ?
O10 Zn4 O1 112.63(7) 5_656 . ?
O7 Zn4 Zn1 128.16(7) . . ?
O13 Zn4 Zn1 121.25(6) 2_654 . ?
O10 Zn4 Zn1 77.44(6) 5_656 . ?
O1 Zn4 Zn1 35.48(4) . . ?
O7 Zn4 Zn2 122.29(6) . . ?
O13 Zn4 Zn2 76.86(5) 2_654 . ?
O10 Zn4 Zn2 129.27(6) 5_656 . ?
O1 Zn4 Zn2 34.76(4) . . ?
Zn1 Zn4 Zn2 59.524(11) . . ?
Zn2 O1 Zn1 109.22(8) . . ?
Zn2 O1 Zn3 110.40(6) . . ?
Zn1 O1 Zn3 109.34(7) . . ?
Zn2 O1 Zn4 109.67(7) . . ?
Zn1 O1 Zn4 108.59(6) . . ?
Zn3 O1 Zn4 109.59(8) . . ?
C1 O2 Zn1 129.9(2) . . ?
C1 O3 Zn2 131.5(2) . . ?
C13 O4 Zn2 131.92(16) . . ?
C13 O5 Zn3 130.84(18) . . ?
C17 O6 Zn3 127.4(2) . . ?
C17 O7 Zn4 127.1(2) . . ?
C29 O8 Zn3 130.9(2) . . ?
C29 O9 Zn1 133.4(2) . . ?
C42 O10 Zn4 127.74(18) . 5_656 ?
C42 O11 Zn1 130.31(18) . 5_656 ?
C49 O12 Zn2 131.16(16) . 2_655 ?
C49 O13 Zn4 129.74(18) . 2_655 ?
C33 N1 C43 123.7(2) . . ?
C33 N1 C36 116.6(3) . . ?
C43 N1 C36 119.4(3) . . ?
O3 C1 O2 124.6(3) . . ?
O3 C1 C2 119.0(3) . . ?
O2 C1 C2 116.1(3) . . ?
C7 C2 C3 117.8(3) . . ?
C7 C2 C1 123.1(4) . . ?
C3 C2 C1 119.1(3) . . ?
C4 C3 C2 118.1(4) . . ?
C4 C3 H3 121.0 . . ?
C2 C3 H3 121.0 . . ?
C3 C4 C5 121.8(4) . . ?
C3 C4 H4 119.1 . . ?
C5 C4 H4 119.1 . . ?
C6 C5 C8 126.1(5) . . ?
C6 C5 C4 117.6(4) . . ?
C8 C5 C4 116.2(5) . . ?
C5 C6 C7 120.8(5) . . ?
C5 C6 H6 119.6 . . ?
C7 C6 H6 119.6 . . ?
C6 C7 C2 123.7(4) . . ?
C6 C7 H7 118.2 . . ?
C2 C7 H7 118.2 . . ?
C9 C8 C11 111.4(4) . . ?
C9 C8 C5 126.1(6) . . ?
C11 C8 C5 120.9(6) . . ?
C8 C9 C9 127.7(3) . 8 ?
C8 C9 C10 113.8(4) . . ?
C9 C9 C10 118.5(3) 8 . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C10 H10D 109.5 . . ?
H10A C10 H10D 141.1 . . ?
H10B C10 H10D 56.3 . . ?
H10C C10 H10D 56.3 . . ?
C9 C10 H10E 109.5 . . ?
H10A C10 H10E 56.3 . . ?
H10B C10 H10E 141.1 . . ?
H10C C10 H10E 56.3 . . ?
H10D C10 H10E 109.5 . . ?
C9 C10 H10F 109.5 . . ?
H10A C10 H10F 56.3 . . ?
H10B C10 H10F 56.3 . . ?
H10C C10 H10F 141.1 . . ?
H10D C10 H10F 109.5 . . ?
H10E C10 H10F 109.5 . . ?
C8 C11 C11 120.9(3) . 8 ?
C8 C11 C12 120.2(4) . . ?
C11 C11 C12 118.9(3) 8 . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C12 H12D 109.5 . . ?
H12A C12 H12D 141.1 . . ?
H12B C12 H12D 56.3 . . ?
H12C C12 H12D 56.3 . . ?
C11 C12 H12E 109.5 . . ?
H12A C12 H12E 56.3 . . ?
H12B C12 H12E 141.1 . . ?
H12C C12 H12E 56.3 . . ?
H12D C12 H12E 109.5 . . ?
C11 C12 H12F 109.5 . . ?
H12A C12 H12F 56.3 . . ?
H12B C12 H12F 56.3 . . ?
H12C C12 H12F 141.1 . . ?
H12D C12 H12F 109.5 . . ?
H12E C12 H12F 109.5 . . ?
O4 C13 O5 124.9(2) . . ?
O4 C13 C14 118.7(3) . . ?
O5 C13 C14 116.4(3) . . ?
C16 C14 C15 118.7(2) . . ?
C16 C14 C13 122.2(3) . . ?
C15 C14 C13 119.1(3) . . ?
C16 C15 C14 120.2(3) 5_756 . ?
C16 C15 H15 119.9 5_756 . ?
C14 C15 H15 119.9 . . ?
C15 C16 C14 121.1(3) 5_756 . ?
C15 C16 H16 119.4 5_756 . ?
C14 C16 H16 119.4 . . ?
O7 C17 O6 131.4(3) . . ?
O7 C17 C18 113.4(3) . . ?
O6 C17 C18 115.2(3) . . ?
C23 C18 C17 120.7(4) . . ?
C23 C18 C19 119.1(4) . . ?
C17 C18 C19 120.1(4) . . ?
C20 C19 C18 120.8(5) . . ?
C20 C19 H19 119.6 . . ?
C18 C19 H19 119.6 . . ?
C21 C20 C19 120.7(5) . . ?
C21 C20 H20 119.7 . . ?
C19 C20 H20 119.7 . . ?
C20 C21 C24 123.5(6) . . ?
C20 C21 C22 122.6(5) . . ?
C24 C21 C22 112.9(6) . . ?
C23 C22 C21 117.4(5) . . ?
C23 C22 H22 121.3 . . ?
C21 C22 H22 121.3 . . ?
C22 C23 C18 118.9(4) . . ?
C22 C23 H23 120.5 . . ?
C18 C23 H23 120.5 . . ?
C25 C24 C27 114.3(5) . . ?
C25 C24 C21 129.5(6) . . ?
C27 C24 C21 116.0(6) . . ?
C24 C25 C25 124.7(3) . 8_565 ?
C24 C25 C26 115.0(5) . . ?
C25 C25 C26 117.5(3) 8_565 . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C24 C27 C27 120.4(3) . 8_565 ?
C24 C27 C28 123.9(5) . . ?
C27 C27 C28 115.6(3) 8_565 . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
O8 C29 O9 123.4(3) . . ?
O8 C29 C30 119.3(3) . . ?
O9 C29 C30 117.2(3) . . ?
C35 C30 C31 120.6(3) . . ?
C35 C30 C29 119.8(3) . . ?
C31 C30 C29 119.5(3) . . ?
C32 C31 C30 119.7(4) . . ?
C32 C31 H31 120.1 . . ?
C30 C31 H31 120.1 . . ?
C31 C32 C33 119.6(4) . . ?
C31 C32 H32 120.2 . . ?
C33 C32 H32 120.2 . . ?
N1 C33 C34 118.4(4) . . ?
N1 C33 C32 120.4(3) . . ?
C34 C33 C32 121.2(3) . . ?
C35 C34 C33 118.1(4) . . ?
C35 C34 H34 120.9 . . ?
C33 C34 H34 120.9 . . ?
C30 C35 C34 120.7(3) . . ?
C30 C35 H35 119.7 . . ?
C34 C35 H35 119.7 . . ?
C37 C36 C41 121.6(3) . . ?
C37 C36 N1 118.0(3) . . ?
C41 C36 N1 120.4(4) . . ?
C38 C37 C36 118.5(3) . . ?
C38 C37 H37 120.8 . . ?
C36 C37 H37 120.8 . . ?
C37 C38 C39 120.9(3) . . ?
C37 C38 H38 119.6 . . ?
C39 C38 H38 119.6 . . ?
C38 C39 C40 119.9(2) . . ?
C38 C39 C42 120.1(3) . . ?
C40 C39 C42 119.9(3) . . ?
C41 C40 C39 119.8(3) . . ?
C41 C40 H40 120.1 . . ?
C39 C40 H40 120.1 . . ?
C40 C41 C36 119.2(4) . . ?
C40 C41 H41 120.4 . . ?
C36 C41 H41 120.4 . . ?
O10 C42 O11 127.7(2) . . ?
O10 C42 C39 116.9(3) . . ?
O11 C42 C39 115.4(3) . . ?
C48 C43 C44 117.5(3) . . ?
C48 C43 N1 120.6(3) . . ?
C44 C43 N1 121.8(3) . . ?
C45 C44 C43 121.4(3) . . ?
C45 C44 H44 119.3 . . ?
C43 C44 H44 119.3 . . ?
C44 C45 C46 122.1(3) . . ?
C44 C45 H45 119.0 . . ?
C46 C45 H45 119.0 . . ?
C45 C46 C47 117.7(3) . . ?
C45 C46 C49 123.1(3) . . ?
C47 C46 C49 119.2(2) . . ?
C48 C47 C46 120.3(3) . . ?
C48 C47 H47 119.9 . . ?
C46 C47 H47 119.9 . . ?
C47 C48 C43 120.9(3) . . ?
C47 C48 H48 119.5 . . ?
C43 C48 H48 119.5 . . ?
O13 C49 O12 125.2(2) . . ?
O13 C49 C46 119.3(3) . . ?
O12 C49 C46 115.4(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
O2 Zn1 Zn2 O4 -101.54(11) . . . . ?
O11 Zn1 Zn2 O4 153.41(12) 5_656 . . . ?
O9 Zn1 Zn2 O4 2.40(12) . . . . ?
O1 Zn1 Zn2 O4 80.23(11) . . . . ?
Zn4 Zn1 Zn2 O4 116.20(8) . . . . ?
O2 Zn1 Zn2 O12 101.89(11) . . . 2_654 ?
O11 Zn1 Zn2 O12 -3.16(12) 5_656 . . 2_654 ?
O9 Zn1 Zn2 O12 -154.17(11) . . . 2_654 ?
O1 Zn1 Zn2 O12 -76.34(11) . . . 2_654 ?
Zn4 Zn1 Zn2 O12 -40.37(8) . . . 2_654 ?
O2 Zn1 Zn2 O1 178.23(11) . . . . ?
O11 Zn1 Zn2 O1 73.18(12) 5_656 . . . ?
O9 Zn1 Zn2 O1 -77.83(11) . . . . ?
Zn4 Zn1 Zn2 O1 35.97(8) . . . . ?
O2 Zn1 Zn2 O3 -1.36(11) . . . . ?
O11 Zn1 Zn2 O3 -106.41(11) 5_656 . . . ?
O9 Zn1 Zn2 O3 102.58(11) . . . . ?
O1 Zn1 Zn2 O3 -179.59(11) . . . . ?
Zn4 Zn1 Zn2 O3 -143.62(7) . . . . ?
O2 Zn1 Zn2 Zn4 142.26(8) . . . . ?
O11 Zn1 Zn2 Zn4 37.21(9) 5_656 . . . ?
O9 Zn1 Zn2 Zn4 -113.80(9) . . . . ?
O1 Zn1 Zn2 Zn4 -35.97(8) . . . . ?
O2 Zn1 Zn4 O7 -155.94(11) . . . . ?
O11 Zn1 Zn4 O7 100.35(10) 5_656 . . . ?
O9 Zn1 Zn4 O7 3.62(10) . . . . ?
O1 Zn1 Zn4 O7 -73.77(11) . . . . ?
Zn2 Zn1 Zn4 O7 -109.02(7) . . . . ?
O2 Zn1 Zn4 O13 1.35(10) . . . 2_654 ?
O11 Zn1 Zn4 O13 -102.36(9) 5_656 . . 2_654 ?
O9 Zn1 Zn4 O13 160.91(9) . . . 2_654 ?
O1 Zn1 Zn4 O13 83.52(10) . . . 2_654 ?
Zn2 Zn1 Zn4 O13 48.28(6) . . . 2_654 ?
O2 Zn1 Zn4 O10 105.16(10) . . . 5_656 ?
O11 Zn1 Zn4 O10 1.45(9) 5_656 . . 5_656 ?
O9 Zn1 Zn4 O10 -95.28(9) . . . 5_656 ?
O1 Zn1 Zn4 O10 -172.68(10) . . . 5_656 ?
Zn2 Zn1 Zn4 O10 152.08(6) . . . 5_656 ?
O2 Zn1 Zn4 O1 -82.16(12) . . . . ?
O11 Zn1 Zn4 O1 174.12(11) 5_656 . . . ?
O9 Zn1 Zn4 O1 77.39(11) . . . . ?
Zn2 Zn1 Zn4 O1 -35.24(8) . . . . ?
O2 Zn1 Zn4 Zn2 -46.92(8) . . . . ?
O11 Zn1 Zn4 Zn2 -150.64(7) 5_656 . . . ?
O9 Zn1 Zn4 Zn2 112.64(7) . . . . ?
O1 Zn1 Zn4 Zn2 35.24(8) . . . . ?
O4 Zn2 Zn4 O7 7.10(11) . . . . ?
O12 Zn2 Zn4 O7 -94.61(10) 2_654 . . . ?
O1 Zn2 Zn4 O7 82.46(11) . . . . ?
O3 Zn2 Zn4 O7 162.14(11) . . . . ?
Zn1 Zn2 Zn4 O7 118.43(8) . . . . ?
O4 Zn2 Zn4 O13 109.61(9) . . . 2_654 ?
O12 Zn2 Zn4 O13 7.89(8) 2_654 . . 2_654 ?
O1 Zn2 Zn4 O13 -175.03(10) . . . 2_654 ?
O3 Zn2 Zn4 O13 -95.35(10) . . . 2_654 ?
Zn1 Zn2 Zn4 O13 -139.06(6) . . . 2_654 ?
O4 Zn2 Zn4 O10 -147.51(10) . . . 5_656 ?
O12 Zn2 Zn4 O10 110.77(9) 2_654 . . 5_656 ?
O1 Zn2 Zn4 O10 -72.15(11) . . . 5_656 ?
O3 Zn2 Zn4 O10 7.53(11) . . . 5_656 ?
Zn1 Zn2 Zn4 O10 -36.18(7) . . . 5_656 ?
O4 Zn2 Zn4 O1 -75.36(11) . . . . ?
O12 Zn2 Zn4 O1 -177.07(10) 2_654 . . . ?
O3 Zn2 Zn4 O1 79.68(12) . . . . ?
Zn1 Zn2 Zn4 O1 35.97(8) . . . . ?
O4 Zn2 Zn4 Zn1 -111.33(8) . . . . ?
O12 Zn2 Zn4 Zn1 146.96(6) 2_654 . . . ?
O1 Zn2 Zn4 Zn1 -35.97(8) . . . . ?
O3 Zn2 Zn4 Zn1 43.71(9) . . . . ?
O4 Zn2 O1 Zn1 -117.85(9) . . . . ?
O12 Zn2 O1 Zn1 121.92(8) 2_654 . . . ?
O3 Zn2 O1 Zn1 0.42(11) . . . . ?
Zn4 Zn2 O1 Zn1 118.89(11) . . . . ?
O4 Zn2 O1 Zn3 2.41(11) . . . . ?
O12 Zn2 O1 Zn3 -117.82(9) 2_654 . . . ?
O3 Zn2 O1 Zn3 120.68(10) . . . . ?
Zn1 Zn2 O1 Zn3 120.26(11) . . . . ?
Zn4 Zn2 O1 Zn3 -120.85(12) . . . . ?
O4 Zn2 O1 Zn4 123.26(9) . . . . ?
O12 Zn2 O1 Zn4 3.04(10) 2_654 . . . ?
O3 Zn2 O1 Zn4 -118.46(10) . . . . ?
Zn1 Zn2 O1 Zn4 -118.89(11) . . . . ?
O2 Zn1 O1 Zn2 -1.89(12) . . . . ?
O11 Zn1 O1 Zn2 -125.71(9) 5_656 . . . ?
O9 Zn1 O1 Zn2 119.71(9) . . . . ?
Zn4 Zn1 O1 Zn2 -119.56(11) . . . . ?
O2 Zn1 O1 Zn3 -122.79(10) . . . . ?
O11 Zn1 O1 Zn3 113.39(9) 5_656 . . . ?
O9 Zn1 O1 Zn3 -1.19(10) . . . . ?
Zn2 Zn1 O1 Zn3 -120.90(10) . . . . ?
Zn4 Zn1 O1 Zn3 119.54(11) . . . . ?
O2 Zn1 O1 Zn4 117.67(10) . . . . ?
O11 Zn1 O1 Zn4 -6.15(11) 5_656 . . . ?
O9 Zn1 O1 Zn4 -120.73(9) . . . . ?
Zn2 Zn1 O1 Zn4 119.56(11) . . . . ?
O6 Zn3 O1 Zn2 116.62(9) . . . . ?
O5 Zn3 O1 Zn2 -3.92(11) . . . . ?
O8 Zn3 O1 Zn2 -122.06(8) . . . . ?
O6 Zn3 O1 Zn1 -123.19(9) . . . . ?
O5 Zn3 O1 Zn1 116.26(8) . . . . ?
O8 Zn3 O1 Zn1 -1.87(10) . . . . ?
O6 Zn3 O1 Zn4 -4.28(9) . . . . ?
O5 Zn3 O1 Zn4 -124.82(8) . . . . ?
O8 Zn3 O1 Zn4 117.04(8) . . . . ?
O7 Zn4 O1 Zn2 -115.27(9) . . . . ?
O13 Zn4 O1 Zn2 5.20(10) 2_654 . . . ?
O10 Zn4 O1 Zn2 127.03(8) 5_656 . . . ?
Zn1 Zn4 O1 Zn2 119.28(12) . . . . ?
O7 Zn4 O1 Zn1 125.45(9) . . . . ?
O13 Zn4 O1 Zn1 -114.08(8) 2_654 . . . ?
O10 Zn4 O1 Zn1 7.75(11) 5_656 . . . ?
Zn2 Zn4 O1 Zn1 -119.28(12) . . . . ?
O7 Zn4 O1 Zn3 6.07(9) . . . . ?
O13 Zn4 O1 Zn3 126.54(8) 2_654 . . . ?
O10 Zn4 O1 Zn3 -111.63(8) 5_656 . . . ?
Zn1 Zn4 O1 Zn3 -119.38(10) . . . . ?
Zn2 Zn4 O1 Zn3 121.34(10) . . . . ?
O11 Zn1 O2 C1 127.8(3) 5_656 . . . ?
O9 Zn1 O2 C1 -120.6(3) . . . . ?
O1 Zn1 O2 C1 2.4(3) . . . . ?
Zn2 Zn1 O2 C1 1.3(3) . . . . ?
Zn4 Zn1 O2 C1 41.7(3) . . . . ?
O4 Zn2 O3 C1 123.3(3) . . . . ?
O12 Zn2 O3 C1 -120.9(3) 2_654 . . . ?
O1 Zn2 O3 C1 1.9(4) . . . . ?
Zn1 Zn2 O3 C1 2.1(3) . . . . ?
Zn4 Zn2 O3 C1 -36.0(4) . . . . ?
O12 Zn2 O4 C13 122.8(3) 2_654 . . . ?
O1 Zn2 O4 C13 0.7(3) . . . . ?
O3 Zn2 O4 C13 -120.6(3) . . . . ?
Zn1 Zn2 O4 C13 -37.3(3) . . . . ?
Zn4 Zn2 O4 C13 37.9(3) . . . . ?
O6 Zn3 O5 C13 -118.9(3) . . . . ?
O1 Zn3 O5 C13 3.9(3) . . . . ?
O8 Zn3 O5 C13 125.4(3) . . . . ?
O5 Zn3 O6 C17 120.6(2) . . . . ?
O1 Zn3 O6 C17 -1.3(3) . . . . ?
O8 Zn3 O6 C17 -124.9(2) . . . . ?
O13 Zn4 O7 C17 -126.5(2) 2_654 . . . ?
O10 Zn4 O7 C17 118.7(2) 5_656 . . . ?
O1 Zn4 O7 C17 -3.7(3) . . . . ?
Zn1 Zn4 O7 C17 33.3(3) . . . . ?
Zn2 Zn4 O7 C17 -41.3(3) . . . . ?
O6 Zn3 O8 C29 126.5(3) . . . . ?
O5 Zn3 O8 C29 -117.7(3) . . . . ?
O1 Zn3 O8 C29 2.9(3) . . . . ?
O2 Zn1 O9 C29 131.4(3) . . . . ?
O11 Zn1 O9 C29 -113.1(3) 5_656 . . . ?
O1 Zn1 O9 C29 6.7(3) . . . . ?
Zn2 Zn1 O9 C29 43.8(3) . . . . ?
Zn4 Zn1 O9 C29 -31.0(3) . . . . ?
Zn2 O3 C1 O2 -2.1(6) . . . . ?
Zn2 O3 C1 C2 -175.9(3) . . . . ?
Zn1 O2 C1 O3 -0.4(6) . . . . ?
Zn1 O2 C1 C2 173.6(3) . . . . ?
O3 C1 C2 C7 178.0(4) . . . . ?
O2 C1 C2 C7 3.7(6) . . . . ?
O3 C1 C2 C3 -4.4(6) . . . . ?
O2 C1 C2 C3 -178.7(3) . . . . ?
C7 C2 C3 C4 0.9(5) . . . . ?
C1 C2 C3 C4 -176.8(4) . . . . ?
C2 C3 C4 C5 -1.2(6) . . . . ?
C3 C4 C5 C6 3.5(9) . . . . ?
C3 C4 C5 C8 -178.7(5) . . . . ?
C8 C5 C6 C7 177.1(6) . . . . ?
C4 C5 C6 C7 -5.4(11) . . . . ?
C5 C6 C7 C2 5.4(11) . . . . ?
C3 C2 C7 C6 -2.9(8) . . . . ?
C1 C2 C7 C6 174.7(5) . . . . ?
C6 C5 C8 C9 -82.3(10) . . . . ?
C4 C5 C8 C9 100.1(7) . . . . ?
C6 C5 C8 C11 81.9(10) . . . . ?
C4 C5 C8 C11 -95.7(7) . . . . ?
C11 C8 C9 C9 2.1(7) . . . 8 ?
C5 C8 C9 C9 167.6(4) . . . 8 ?
C11 C8 C9 C10 -178.2(4) . . . . ?
C5 C8 C9 C10 -12.7(8) . . . . ?
C9 C8 C11 C11 -2.0(6) . . . 8 ?
C5 C8 C11 C11 -168.3(4) . . . 8 ?
C9 C8 C11 C12 -179.5(6) . . . . ?
C5 C8 C11 C12 14.2(9) . . . . ?
Zn2 O4 C13 O5 -1.9(5) . . . . ?
Zn2 O4 C13 C14 175.0(2) . . . . ?
Zn3 O5 C13 O4 -0.8(5) . . . . ?
Zn3 O5 C13 C14 -177.76(19) . . . . ?
O4 C13 C14 C16 -178.1(3) . . . . ?
O5 C13 C14 C16 -1.0(5) . . . . ?
O4 C13 C14 C15 1.3(5) . . . . ?
O5 C13 C14 C15 178.4(3) . . . . ?
C16 C14 C15 C16 -0.6(5) . . . 5_756 ?
C13 C14 C15 C16 179.9(3) . . . 5_756 ?
C15 C14 C16 C15 0.6(6) . . . 5_756 ?
C13 C14 C16 C15 -179.9(3) . . . 5_756 ?
Zn4 O7 C17 O6 -3.0(5) . . . . ?
Zn4 O7 C17 C18 176.5(2) . . . . ?
Zn3 O6 C17 O7 5.9(5) . . . . ?
Zn3 O6 C17 C18 -173.7(2) . . . . ?
O7 C17 C18 C23 -177.6(4) . . . . ?
O6 C17 C18 C23 2.0(5) . . . . ?
O7 C17 C18 C19 -2.1(5) . . . . ?
O6 C17 C18 C19 177.5(3) . . . . ?
C23 C18 C19 C20 -5.8(7) . . . . ?
C17 C18 C19 C20 178.6(4) . . . . ?
C18 C19 C20 C21 -0.3(9) . . . . ?
C19 C20 C21 C24 173.9(6) . . . . ?
C19 C20 C21 C22 5.6(11) . . . . ?
C20 C21 C22 C23 -4.6(10) . . . . ?
C24 C21 C22 C23 -174.0(5) . . . . ?
C21 C22 C23 C18 -1.7(8) . . . . ?
C17 C18 C23 C22 -177.9(4) . . . . ?
C19 C18 C23 C22 6.6(7) . . . . ?
C20 C21 C24 C25 -87.7(12) . . . . ?
C22 C21 C24 C25 81.5(11) . . . . ?
C20 C21 C24 C27 96.9(10) . . . . ?
C22 C21 C24 C27 -93.8(8) . . . . ?
C27 C24 C25 C25 -8.3(11) . . . 8_565 ?
C21 C24 C25 C25 176.3(6) . . . 8_565 ?
C27 C24 C25 C26 -168.9(7) . . . . ?
C21 C24 C25 C26 15.7(14) . . . . ?
C25 C24 C27 C27 7.9(10) . . . 8_565 ?
C21 C24 C27 C27 -176.0(4) . . . 8_565 ?
C25 C24 C27 C28 -168.4(8) . . . . ?
C21 C24 C27 C28 7.7(12) . . . . ?
Zn3 O8 C29 O9 1.5(5) . . . . ?
Zn3 O8 C29 C30 -174.7(2) . . . . ?
Zn1 O9 C29 O8 -7.1(5) . . . . ?
Zn1 O9 C29 C30 169.2(2) . . . . ?
O8 C29 C30 C35 -7.3(5) . . . . ?
O9 C29 C30 C35 176.3(3) . . . . ?
O8 C29 C30 C31 171.3(3) . . . . ?
O9 C29 C30 C31 -5.1(5) . . . . ?
C35 C30 C31 C32 1.0(6) . . . . ?
C29 C30 C31 C32 -177.6(3) . . . . ?
C30 C31 C32 C33 1.1(6) . . . . ?
C43 N1 C33 C34 -44.5(7) . . . . ?
C36 N1 C33 C34 129.5(4) . . . . ?
C43 N1 C33 C32 136.5(5) . . . . ?
C36 N1 C33 C32 -49.4(6) . . . . ?
C31 C32 C33 N1 175.7(4) . . . . ?
C31 C32 C33 C34 -3.2(6) . . . . ?
N1 C33 C34 C35 -175.9(4) . . . . ?
C32 C33 C34 C35 3.0(6) . . . . ?
C31 C30 C35 C34 -1.1(6) . . . . ?
C29 C30 C35 C34 177.5(3) . . . . ?
C33 C34 C35 C30 -0.9(6) . . . . ?
C33 N1 C36 C37 -46.5(6) . . . . ?
C43 N1 C36 C37 127.8(5) . . . . ?
C33 N1 C36 C41 136.7(5) . . . . ?
C43 N1 C36 C41 -48.9(6) . . . . ?
C41 C36 C37 C38 -3.4(7) . . . . ?
N1 C36 C37 C38 179.9(4) . . . . ?
C36 C37 C38 C39 1.4(6) . . . . ?
C37 C38 C39 C40 1.0(6) . . . . ?
C37 C38 C39 C42 -177.2(3) . . . . ?
C38 C39 C40 C41 -1.5(6) . . . . ?
C42 C39 C40 C41 176.7(3) . . . . ?
C39 C40 C41 C36 -0.5(6) . . . . ?
C37 C36 C41 C40 3.0(7) . . . . ?
N1 C36 C41 C40 179.6(4) . . . . ?
Zn4 O10 C42 O11 8.9(5) 5_656 . . . ?
Zn4 O10 C42 C39 -169.8(2) 5_656 . . . ?
Zn1 O11 C42 O10 -11.7(5) 5_656 . . . ?
Zn1 O11 C42 C39 167.0(2) 5_656 . . . ?
C38 C39 C42 O10 171.5(3) . . . . ?
C40 C39 C42 O10 -6.6(5) . . . . ?
C38 C39 C42 O11 -7.4(5) . . . . ?
C40 C39 C42 O11 174.5(3) . . . . ?
C33 N1 C43 C48 -32.0(7) . . . . ?
C36 N1 C43 C48 154.1(4) . . . . ?
C33 N1 C43 C44 146.5(5) . . . . ?
C36 N1 C43 C44 -27.5(7) . . . . ?
C48 C43 C44 C45 2.5(7) . . . . ?
N1 C43 C44 C45 -176.0(4) . . . . ?
C43 C44 C45 C46 -3.1(6) . . . . ?
C44 C45 C46 C47 2.6(5) . . . . ?
C44 C45 C46 C49 -179.6(3) . . . . ?
C45 C46 C47 C48 -1.7(5) . . . . ?
C49 C46 C47 C48 -179.5(3) . . . . ?
C46 C47 C48 C43 1.3(6) . . . . ?
C44 C43 C48 C47 -1.6(6) . . . . ?
N1 C43 C48 C47 176.9(4) . . . . ?
Zn4 O13 C49 O12 1.7(4) 2_655 . . . ?
Zn4 O13 C49 C46 -174.9(2) 2_655 . . . ?
Zn2 O12 C49 O13 12.5(5) 2_655 . . . ?
Zn2 O12 C49 C46 -170.8(2) 2_655 . . . ?
C45 C46 C49 O13 178.9(3) . . . . ?
C47 C46 C49 O13 -3.3(5) . . . . ?
C45 C46 C49 O12 2.0(5) . . . . ?
C47 C46 C49 O12 179.7(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        65.08
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.597
_refine_diff_density_min         -0.768
_refine_diff_density_rms         0.049
_database_code_depnum_ccdc_archive 'CCDC 968572'
#######################################################################
#
#                 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_UMCM-10

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            UMCM-10
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C43 H30 N O13 Zn4'
_chemical_formula_weight         1030.16

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn -1.5491 0.6778 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_Int_Tables_number      14

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

_cell_length_a                   17.1259(4)
_cell_length_b                   32.5986(8)
_cell_length_c                   25.1806(18)
_cell_angle_alpha                90.00
_cell_angle_beta                 99.471(7)
_cell_angle_gamma                90.00
_cell_volume                     13866.2(11)
_cell_formula_units_Z            4
_cell_measurement_temperature    233(2)
_cell_measurement_reflns_used    47222
_cell_measurement_theta_min      6.64
_cell_measurement_theta_max      66.53

_exptl_crystal_description       chunk
_exptl_crystal_colour            Colorless
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    0.493
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2076
_exptl_absorpt_coefficient_mu    0.957
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.724
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_process_details   '(Higashi, T. 2001)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      233(2)
_diffrn_radiation_wavelength     1.54187
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID imaging plate'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10.000
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            108598
_diffrn_reflns_av_R_equivalents  0.0727
_diffrn_reflns_av_sigmaI/netI    0.0852
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         6.64
_diffrn_reflns_theta_max         66.56
_reflns_number_total             24085
_reflns_number_gt                13569
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrystalClear-SM Expert 2.0 r4 (Rigaku, 2009)'
_computing_cell_refinement       'CrystalClear-SM Expert 2.0 r4'
_computing_data_reduction        'CrystalClear-SM Expert 2.0 r4'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2009)'

_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)+(0.2000P)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    riding
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         24085
_refine_ls_number_parameters     550
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1594
_refine_ls_R_factor_gt           0.1097
_refine_ls_wR_factor_ref         0.3829
_refine_ls_wR_factor_gt          0.3315
_refine_ls_goodness_of_fit_ref   1.197
_refine_ls_restrained_S_all      1.197
_refine_ls_shift/su_max          0.001
_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 1.11139(4) 0.93498(2) 0.29705(3) 0.0631(3) Uani 1 1 d . . .
Zn2 Zn 0.96428(4) 0.96216(2) 0.20988(3) 0.0642(3) Uani 1 1 d . . .
Zn3 Zn 1.08941(4) 0.89953(2) 0.17784(3) 0.0624(3) Uani 1 1 d . . .
Zn4 Zn 0.97412(4) 0.87094(2) 0.25600(3) 0.0638(3) Uani 1 1 d . . .
O1 O 1.0891(3) 0.99050(13) 0.31726(18) 0.0863(13) Uani 1 1 d . . .
O2 O 0.9910(3) 1.01057(12) 0.25339(18) 0.0856(13) Uani 1 1 d . . .
O3 O 0.8569(3) 0.94954(16) 0.2149(2) 0.0936(14) Uani 1 1 d . . .
O4 O 0.8638(3) 0.88511(15) 0.2504(2) 0.0905(14) Uani 1 1 d . . .
O5 O 0.9715(3) 0.97669(13) 0.13672(17) 0.0840(13) Uani 1 1 d . . .
O6 O 1.0591(3) 0.93234(13) 0.11417(16) 0.0875(13) Uani 1 1 d . . .
O7 O 1.2182(3) 0.93140(14) 0.28352(19) 0.0859(13) Uani 1 1 d . . .
O8 O 1.2017(2) 0.90569(14) 0.20013(19) 0.0882(13) Uani 1 1 d . . .
O9 O 1.0681(3) 0.84330(13) 0.15797(18) 0.0854(13) Uani 1 1 d . . .
O10 O 0.9828(3) 0.82395(12) 0.21182(17) 0.0809(12) Uani 1 1 d . . .
O11 O 1.0076(3) 0.85654(13) 0.33132(16) 0.0826(12) Uani 1 1 d . . .
O12 O 1.0990(3) 0.90458(14) 0.36025(17) 0.0810(13) Uani 1 1 d . . .
O13 O 1.0350(2) 0.91695(10) 0.23558(13) 0.0610(10) Uani 1 1 d . . .
N1 N 1.0112(4) 0.84250(16) 0.5828(2) 0.114(2) Uani 1 1 d . . .
C1 C 1.0525(5) 0.8773(2) 0.3678(2) 0.0777(19) Uani 1 1 d . . .
C2 C 1.0451(4) 0.86527(19) 0.4251(3) 0.0826(19) Uani 1 1 d . . .
C3 C 1.0823(5) 0.8883(2) 0.4673(3) 0.095(2) Uani 1 1 d . . .
H3 H 1.1159 0.9099 0.4607 0.115 Uiso 1 1 calc R . .
C4 C 1.0714(5) 0.8804(2) 0.5182(3) 0.109(3) Uani 1 1 d . . .
H4 H 1.0967 0.8969 0.5466 0.131 Uiso 1 1 calc R . .
C5 C 1.0252(5) 0.8497(2) 0.5287(3) 0.103(3) Uani 1 1 d . . .
C6 C 0.9889(5) 0.8235(2) 0.4874(3) 0.104(2) Uani 1 1 d . . .
H6 H 0.9592 0.8007 0.4953 0.124 Uiso 1 1 calc R . .
C7 C 0.9976(5) 0.8320(2) 0.4356(3) 0.098(2) Uani 1 1 d . . .
H7 H 0.9722 0.8157 0.4071 0.118 Uiso 1 1 calc R . .
C8 C 0.9950(5) 0.8762(2) 0.6140(3) 0.096(2) Uani 1 1 d . . .
C9 C 0.9430(5) 0.9054(2) 0.5919(3) 0.103(3) Uani 1 1 d . . .
H9 H 0.9150 0.9019 0.5569 0.124 Uiso 1 1 calc R . .
C10 C 0.9308(5) 0.9406(2) 0.6209(3) 0.097(2) Uani 1 1 d . . .
H10 H 0.8945 0.9606 0.6053 0.116 Uiso 1 1 calc R . .
C11 C 0.9720(4) 0.9465(2) 0.6725(3) 0.086(2) Uani 1 1 d . . .
C12 C 1.0226(5) 0.9159(2) 0.6948(3) 0.101(2) Uani 1 1 d . . .
H12 H 1.0497 0.9186 0.7302 0.121 Uiso 1 1 calc R . .
C13 C 1.0340(5) 0.8808(2) 0.6650(3) 0.109(3) Uani 1 1 d . . .
H13 H 1.0690 0.8603 0.6805 0.131 Uiso 1 1 calc R . .
C14 C 1.0110(5) 0.8019(2) 0.6046(3) 0.102(2) Uani 1 1 d . . .
C15 C 0.8285(4) 0.9167(3) 0.2344(3) 0.092(2) Uani 1 1 d . . .
C16 C 0.7390(5) 0.9194(3) 0.2359(3) 0.099(2) Uani 1 1 d . . .
C17 C 0.7041(5) 0.8861(3) 0.2543(4) 0.132(3) Uani 1 1 d . . .
H47 H 0.7346 0.8626 0.2649 0.158 Uiso 1 1 calc R . .
C18 C 0.6229(6) 0.8862(4) 0.2577(5) 0.141(4) Uani 1 1 d . . .
C19 C 0.5800(5) 0.9211(3) 0.2404(4) 0.116(3) Uani 1 1 d . . .
C20 C 0.6160(5) 0.9530(4) 0.2215(5) 0.142(4) Uani 1 1 d . . .
C21 C 0.6937(5) 0.9527(3) 0.2184(4) 0.130(3) Uani 1 1 d . . .
H21 H 0.7168 0.9755 0.2042 0.155 Uiso 1 1 calc R . .
C22 C 0.5848(6) 0.8482(3) 0.2771(6) 0.205(6) Uani 1 1 d . . .
H22A H 0.5440 0.8382 0.2487 0.246 Uiso 1 1 calc R . .
H22B H 0.5615 0.8549 0.3085 0.246 Uiso 1 1 calc R . .
H22C H 0.6247 0.8271 0.2864 0.246 Uiso 1 1 calc R . .
C23 C 0.5657(6) 0.9912(4) 0.2009(7) 0.251(8) Uani 1 1 d . . .
H23A H 0.5414 1.0024 0.2299 0.301 Uiso 1 1 calc R . .
H23B H 0.5248 0.9833 0.1713 0.301 Uiso 1 1 calc R . .
H23C H 0.5996 1.0118 0.1885 0.301 Uiso 1 1 calc R . .
C24 C 0.4931(5) 0.9195(3) 0.2422(4) 0.113(3) Uani 1 1 d . . .
C25 C 0.4644(5) 0.9333(3) 0.2864(4) 0.127(3) Uani 1 1 d . . .
C26 C 0.3833(5) 0.9335(3) 0.2862(4) 0.126(3) Uani 1 1 d . . .
H26 H 0.3636 0.9437 0.3163 0.151 Uiso 1 1 calc R . .
C27 C 1.3305(4) 0.9188(2) 0.2420(3) 0.098(2) Uani 1 1 d . . .
C28 C 1.2432(4) 0.9195(2) 0.2437(3) 0.0827(19) Uani 1 1 d . . .
C29 C 0.3611(5) 0.9047(3) 0.1973(4) 0.142(4) Uani 1 1 d . . .
H29 H 0.3270 0.8946 0.1671 0.171 Uiso 1 1 calc R . .
C30 C 0.4394(6) 0.9057(3) 0.1980(4) 0.148(4) Uani 1 1 d . . .
C31 C 0.4720(6) 0.8895(5) 0.1459(5) 0.250(8) Uani 1 1 d . . .
H31A H 0.5056 0.8658 0.1555 0.300 Uiso 1 1 calc R . .
H31B H 0.5024 0.9110 0.1322 0.300 Uiso 1 1 calc R . .
H31C H 0.4278 0.8818 0.1185 0.300 Uiso 1 1 calc R . .
C32 C 0.5185(5) 0.9493(4) 0.3370(5) 0.208(6) Uani 1 1 d . . .
H32A H 0.5492 0.9724 0.3274 0.249 Uiso 1 1 calc R . .
H32B H 0.5539 0.9276 0.3524 0.249 Uiso 1 1 calc R . .
H32C H 0.4863 0.9582 0.3632 0.249 Uiso 1 1 calc R . .
C33 C 1.0121(4) 0.9627(2) 0.1043(3) 0.0744(17) Uani 1 1 d . . .
C34 C 1.0068(4) 0.98130(19) 0.0502(2) 0.0766(18) Uani 1 1 d . . .
C35 C 1.0469(5) 0.9670(2) 0.0131(3) 0.107(3) Uani 1 1 d . . .
H35 H 1.0788 0.9436 0.0209 0.128 Uiso 1 1 calc R . .
C36 C 1.0429(5) 0.9855(2) -0.0367(3) 0.113(3) Uani 1 1 d . . .
H36 H 1.0740 0.9756 -0.0614 0.135 Uiso 1 1 calc R . .
C37 C 1.0240(4) 0.8172(2) 0.1751(3) 0.0741(17) Uani 1 1 d . . .
C38 C 1.0188(4) 0.77538(19) 0.1504(3) 0.0806(19) Uani 1 1 d . . .
C39 C 1.0661(5) 0.7658(2) 0.1128(3) 0.099(2) Uani 1 1 d . . .
H39 H 1.1002 0.7860 0.1027 0.119 Uiso 1 1 calc R . .
C40 C 1.0646(5) 0.7279(2) 0.0897(3) 0.112(3) Uani 1 1 d . . .
H40 H 1.0980 0.7215 0.0648 0.134 Uiso 1 1 calc R . .
C41 C 1.0357(5) 1.0154(2) 0.2972(3) 0.083(2) Uani 1 1 d . . .
C42 C 0.9663(5) 0.7085(2) 0.1443(3) 0.108(3) Uani 1 1 d . . .
H42 H 0.9338 0.6885 0.1564 0.129 Uiso 1 1 calc R . .
C43 C 0.9687(4) 0.74652(19) 0.1657(3) 0.090(2) Uani 1 1 d . . .
H43 H 0.9361 0.7532 0.1911 0.108 Uiso 1 1 calc R . .


_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 O12 1.916(4) . ?
Zn1 O7 1.919(5) . ?
Zn1 O1 1.935(4) . ?
Zn1 O13 1.946(3) . ?
Zn2 O3 1.908(5) . ?
Zn2 O5 1.926(4) . ?
Zn2 O2 1.933(4) . ?
Zn2 O13 1.949(3) . ?
Zn2 Zn3 3.1589(11) . ?
Zn3 O9 1.919(4) . ?
Zn3 O8 1.924(4) . ?
Zn3 O6 1.926(4) . ?
Zn3 O13 1.937(4) . ?
Zn3 Zn4 3.1494(11) . ?
Zn4 O10 1.913(4) . ?
Zn4 O4 1.928(4) . ?
Zn4 O13 1.943(4) . ?
Zn4 O11 1.946(4) . ?
O1 C41 1.264(8) . ?
O2 C41 1.245(7) . ?
O3 C15 1.305(9) . ?
O4 C15 1.228(9) . ?
O5 C33 1.243(7) . ?
O6 C33 1.275(7) . ?
O7 C28 1.218(8) . ?
O8 C28 1.285(7) . ?
O9 C37 1.260(7) . ?
O10 C37 1.270(7) . ?
O11 C1 1.289(7) . ?
O12 C1 1.231(8) . ?
N1 C8 1.404(7) . ?
N1 C14 1.434(8) . ?
N1 C5 1.441(8) . ?
C1 C2 1.519(9) . ?
C2 C3 1.370(8) . ?
C2 C7 1.406(9) . ?
C3 C4 1.351(9) . ?
C3 H3 0.9400 . ?
C4 C5 1.330(9) . ?
C4 H4 0.9400 . ?
C5 C6 1.409(9) . ?
C6 C7 1.366(8) . ?
C6 H6 0.9400 . ?
C7 H7 0.9400 . ?
C8 C13 1.355(9) . ?
C8 C9 1.358(9) . ?
C9 C10 1.393(9) . ?
C9 H9 0.9400 . ?
C10 C11 1.386(9) . ?
C10 H10 0.9400 . ?
C11 C12 1.380(9) . ?
C11 C41 1.475(9) 3_776 ?
C12 C13 1.397(8) . ?
C12 H12 0.9400 . ?
C13 H13 0.9400 . ?
C14 C42 1.395(9) 4_576 ?
C14 C40 1.429(9) 4_576 ?
C15 C16 1.541(10) . ?
C16 C17 1.356(10) . ?
C16 C21 1.365(10) . ?
C17 C18 1.407(11) . ?
C17 H47 0.9400 . ?
C18 C19 1.387(12) . ?
C18 C22 1.518(12) . ?
C19 C20 1.335(11) . ?
C19 C24 1.497(11) . ?
C20 C21 1.345(11) . ?
C20 C23 1.554(12) . ?
C21 H21 0.9400 . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C22 H22C 0.9700 . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C23 H23C 0.9700 . ?
C24 C25 1.363(11) . ?
C24 C30 1.397(12) . ?
C25 C26 1.388(10) . ?
C25 C32 1.540(11) . ?
C26 C27 1.399(10) 1_455 ?
C26 H26 0.9400 . ?
C27 C29 1.394(10) 1_655 ?
C27 C26 1.399(10) 1_655 ?
C27 C28 1.503(9) . ?
C29 C30 1.339(10) . ?
C29 C27 1.394(10) 1_455 ?
C29 H29 0.9400 . ?
C30 C31 1.597(12) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C31 H31C 0.9700 . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C32 H32C 0.9700 . ?
C33 C34 1.478(8) . ?
C34 C35 1.333(8) . ?
C34 C36 1.383(9) 3_775 ?
C35 C36 1.384(9) . ?
C35 H35 0.9400 . ?
C36 C34 1.383(9) 3_775 ?
C36 H36 0.9400 . ?
C37 C38 1.495(8) . ?
C38 C43 1.370(8) . ?
C38 C39 1.380(9) . ?
C39 C40 1.364(8) . ?
C39 H39 0.9400 . ?
C40 C14 1.429(9) 4_575 ?
C40 H40 0.9400 . ?
C41 C11 1.475(9) 3_776 ?
C42 C43 1.350(8) . ?
C42 C14 1.395(9) 4_575 ?
C42 H42 0.9400 . ?
C43 H43 0.9400 . ?

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
O12 Zn1 O7 110.8(2) . . ?
O12 Zn1 O1 102.2(2) . . ?
O7 Zn1 O1 109.8(2) . . ?
O12 Zn1 O13 110.65(17) . . ?
O7 Zn1 O13 112.12(18) . . ?
O1 Zn1 O13 110.83(17) . . ?
O3 Zn2 O5 109.3(2) . . ?
O3 Zn2 O2 106.2(2) . . ?
O5 Zn2 O2 107.16(19) . . ?
O3 Zn2 O13 111.57(19) . . ?
O5 Zn2 O13 111.69(17) . . ?
O2 Zn2 O13 110.67(17) . . ?
O3 Zn2 Zn3 125.38(16) . . ?
O5 Zn2 Zn3 76.21(14) . . ?
O2 Zn2 Zn3 124.42(14) . . ?
O13 Zn2 Zn3 35.49(10) . . ?
O9 Zn3 O8 108.3(2) . . ?
O9 Zn3 O6 107.44(19) . . ?
O8 Zn3 O6 107.7(2) . . ?
O9 Zn3 O13 112.40(17) . . ?
O8 Zn3 O13 109.40(17) . . ?
O6 Zn3 O13 111.43(16) . . ?
O9 Zn3 Zn4 76.59(14) . . ?
O8 Zn3 Zn4 123.24(14) . . ?
O6 Zn3 Zn4 125.03(14) . . ?
O13 Zn3 Zn4 35.80(10) . . ?
O9 Zn3 Zn2 125.15(14) . . ?
O8 Zn3 Zn2 123.09(14) . . ?
O6 Zn3 Zn2 75.69(13) . . ?
O13 Zn3 Zn2 35.74(10) . . ?
Zn4 Zn3 Zn2 60.68(2) . . ?
O10 Zn4 O4 108.6(2) . . ?
O10 Zn4 O13 111.57(17) . . ?
O4 Zn4 O13 110.94(18) . . ?
O10 Zn4 O11 109.55(19) . . ?
O4 Zn4 O11 104.9(2) . . ?
O13 Zn4 O11 111.04(16) . . ?
O10 Zn4 Zn3 75.93(13) . . ?
O4 Zn4 Zn3 126.22(15) . . ?
O13 Zn4 Zn3 35.67(11) . . ?
O11 Zn4 Zn3 124.45(13) . . ?
C41 O1 Zn1 131.0(4) . . ?
C41 O2 Zn2 131.2(4) . . ?
C15 O3 Zn2 128.7(5) . . ?
C15 O4 Zn4 130.5(5) . . ?
C33 O5 Zn2 132.1(4) . . ?
C33 O6 Zn3 132.0(4) . . ?
C28 O7 Zn1 129.8(5) . . ?
C28 O8 Zn3 132.1(5) . . ?
C37 O9 Zn3 130.9(4) . . ?
C37 O10 Zn4 131.9(4) . . ?
C1 O11 Zn4 127.9(4) . . ?
C1 O12 Zn1 131.8(4) . . ?
Zn3 O13 Zn4 108.52(17) . . ?
Zn3 O13 Zn1 109.98(17) . . ?
Zn4 O13 Zn1 110.03(16) . . ?
Zn3 O13 Zn2 108.76(16) . . ?
Zn4 O13 Zn2 109.92(17) . . ?
Zn1 O13 Zn2 109.60(17) . . ?
C8 N1 C14 119.7(6) . . ?
C8 N1 C5 118.7(5) . . ?
C14 N1 C5 121.6(6) . . ?
O12 C1 O11 126.5(6) . . ?
O12 C1 C2 119.4(6) . . ?
O11 C1 C2 114.1(7) . . ?
C3 C2 C7 119.2(6) . . ?
C3 C2 C1 119.6(7) . . ?
C7 C2 C1 121.2(7) . . ?
C4 C3 C2 120.8(7) . . ?
C4 C3 H3 119.6 . . ?
C2 C3 H3 119.6 . . ?
C5 C4 C3 120.8(7) . . ?
C5 C4 H4 119.6 . . ?
C3 C4 H4 119.6 . . ?
C4 C5 C6 120.9(7) . . ?
C4 C5 N1 120.5(7) . . ?
C6 C5 N1 118.6(7) . . ?
C7 C6 C5 118.6(7) . . ?
C7 C6 H6 120.7 . . ?
C5 C6 H6 120.7 . . ?
C6 C7 C2 119.5(7) . . ?
C6 C7 H7 120.2 . . ?
C2 C7 H7 120.2 . . ?
C13 C8 C9 119.8(7) . . ?
C13 C8 N1 120.3(7) . . ?
C9 C8 N1 119.8(6) . . ?
C8 C9 C10 120.6(7) . . ?
C8 C9 H9 119.7 . . ?
C10 C9 H9 119.7 . . ?
C11 C10 C9 120.5(7) . . ?
C11 C10 H10 119.8 . . ?
C9 C10 H10 119.8 . . ?
C12 C11 C10 118.0(7) . . ?
C12 C11 C41 120.3(7) . 3_776 ?
C10 C11 C41 121.7(7) . 3_776 ?
C11 C12 C13 120.5(7) . . ?
C11 C12 H12 119.8 . . ?
C13 C12 H12 119.8 . . ?
C8 C13 C12 120.6(7) . . ?
C8 C13 H13 119.7 . . ?
C12 C13 H13 119.7 . . ?
C42 C14 C40 118.3(6) 4_576 4_576 ?
C42 C14 N1 122.3(7) 4_576 . ?
C40 C14 N1 119.0(7) 4_576 . ?
O4 C15 O3 128.1(7) . . ?
O4 C15 C16 118.5(8) . . ?
O3 C15 C16 113.4(8) . . ?
C17 C16 C21 119.1(8) . . ?
C17 C16 C15 117.4(9) . . ?
C21 C16 C15 123.5(8) . . ?
C16 C17 C18 121.0(9) . . ?
C16 C17 H47 119.5 . . ?
C18 C17 H47 119.5 . . ?
C19 C18 C17 117.4(10) . . ?
C19 C18 C22 122.5(9) . . ?
C17 C18 C22 120.0(11) . . ?
C20 C19 C18 120.0(9) . . ?
C20 C19 C24 123.9(9) . . ?
C18 C19 C24 116.1(9) . . ?
C19 C20 C21 122.3(10) . . ?
C19 C20 C23 118.7(9) . . ?
C21 C20 C23 119.0(10) . . ?
C20 C21 C16 120.2(9) . . ?
C20 C21 H21 119.9 . . ?
C16 C21 H21 119.9 . . ?
C18 C22 H22A 109.5 . . ?
C18 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C18 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C20 C23 H23A 109.5 . . ?
C20 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C20 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C25 C24 C30 118.5(8) . . ?
C25 C24 C19 120.5(8) . . ?
C30 C24 C19 120.9(8) . . ?
C24 C25 C26 119.6(8) . . ?
C24 C25 C32 122.7(8) . . ?
C26 C25 C32 117.7(9) . . ?
C25 C26 C27 121.1(8) . 1_455 ?
C25 C26 H26 119.5 . . ?
C27 C26 H26 119.5 1_455 . ?
C29 C27 C26 118.4(8) 1_655 1_655 ?
C29 C27 C28 122.4(7) 1_655 . ?
C26 C27 C28 119.2(8) 1_655 . ?
O7 C28 O8 126.5(7) . . ?
O7 C28 C27 120.9(7) . . ?
O8 C28 C27 112.5(7) . . ?
C30 C29 C27 119.4(9) . 1_455 ?
C30 C29 H29 120.3 . . ?
C27 C29 H29 120.3 1_455 . ?
C29 C30 C24 123.0(9) . . ?
C29 C30 C31 117.8(9) . . ?
C24 C30 C31 119.2(8) . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C25 C32 H32A 109.5 . . ?
C25 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C25 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
O5 C33 O6 124.0(6) . . ?
O5 C33 C34 119.9(6) . . ?
O6 C33 C34 116.1(6) . . ?
C35 C34 C36 117.9(6) . 3_775 ?
C35 C34 C33 122.8(6) . . ?
C36 C34 C33 119.3(6) 3_775 . ?
C34 C35 C36 121.9(6) . . ?
C34 C35 H35 119.0 . . ?
C36 C35 H35 119.0 . . ?
C34 C36 C35 120.1(7) 3_775 . ?
C34 C36 H36 120.0 3_775 . ?
C35 C36 H36 120.0 . . ?
O9 C37 O10 124.6(6) . . ?
O9 C37 C38 118.1(6) . . ?
O10 C37 C38 117.3(6) . . ?
C43 C38 C39 120.3(6) . . ?
C43 C38 C37 120.4(6) . . ?
C39 C38 C37 119.4(6) . . ?
C40 C39 C38 121.6(7) . . ?
C40 C39 H39 119.2 . . ?
C38 C39 H39 119.2 . . ?
C39 C40 C14 118.2(7) . 4_575 ?
C39 C40 H40 120.9 . . ?
C14 C40 H40 120.9 4_575 . ?
O2 C41 O1 124.9(6) . . ?
O2 C41 C11 118.0(7) . 3_776 ?
O1 C41 C11 117.1(6) . 3_776 ?
C43 C42 C14 121.6(7) . 4_575 ?
C43 C42 H42 119.2 . . ?
C14 C42 H42 119.2 4_575 . ?
C42 C43 C38 119.8(7) . . ?
C42 C43 H43 120.1 . . ?
C38 C43 H43 120.1 . . ?

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
O3 Zn2 Zn3 O9 2.3(2) . . . . ?
O5 Zn2 Zn3 O9 -101.8(2) . . . . ?
O2 Zn2 Zn3 O9 156.7(2) . . . . ?
O13 Zn2 Zn3 O9 79.6(2) . . . . ?
O3 Zn2 Zn3 O8 -154.2(2) . . . . ?
O5 Zn2 Zn3 O8 101.7(2) . . . . ?
O2 Zn2 Zn3 O8 0.2(2) . . . . ?
O13 Zn2 Zn3 O8 -76.9(2) . . . . ?
O3 Zn2 Zn3 O6 103.7(2) . . . . ?
O5 Zn2 Zn3 O6 -0.3(2) . . . . ?
O2 Zn2 Zn3 O6 -101.9(2) . . . . ?
O13 Zn2 Zn3 O6 -178.9(2) . . . . ?
O3 Zn2 Zn3 O13 -77.3(2) . . . . ?
O5 Zn2 Zn3 O13 178.6(2) . . . . ?
O2 Zn2 Zn3 O13 77.1(2) . . . . ?
O3 Zn2 Zn3 Zn4 -41.63(18) . . . . ?
O5 Zn2 Zn3 Zn4 -145.69(14) . . . . ?
O2 Zn2 Zn3 Zn4 112.77(16) . . . . ?
O13 Zn2 Zn3 Zn4 35.71(17) . . . . ?
O9 Zn3 Zn4 O10 -2.20(19) . . . . ?
O8 Zn3 Zn4 O10 -105.5(2) . . . . ?
O6 Zn3 Zn4 O10 99.9(2) . . . . ?
O13 Zn3 Zn4 O10 177.8(2) . . . . ?
Zn2 Zn3 Zn4 O10 142.15(13) . . . . ?
O9 Zn3 Zn4 O4 -105.1(2) . . . . ?
O8 Zn3 Zn4 O4 151.6(3) . . . . ?
O6 Zn3 Zn4 O4 -3.0(2) . . . . ?
O13 Zn3 Zn4 O4 74.9(2) . . . . ?
Zn2 Zn3 Zn4 O4 39.25(18) . . . . ?
O9 Zn3 Zn4 O13 180.0(2) . . . . ?
O8 Zn3 Zn4 O13 76.7(2) . . . . ?
O6 Zn3 Zn4 O13 -77.9(2) . . . . ?
Zn2 Zn3 Zn4 O13 -35.65(17) . . . . ?
O9 Zn3 Zn4 O11 102.1(2) . . . . ?
O8 Zn3 Zn4 O11 -1.2(2) . . . . ?
O6 Zn3 Zn4 O11 -155.9(2) . . . . ?
O13 Zn3 Zn4 O11 -77.9(2) . . . . ?
Zn2 Zn3 Zn4 O11 -113.58(16) . . . . ?
O12 Zn1 O1 C41 -118.7(6) . . . . ?
O7 Zn1 O1 C41 123.7(6) . . . . ?
O13 Zn1 O1 C41 -0.7(7) . . . . ?
O3 Zn2 O2 C41 109.7(6) . . . . ?
O5 Zn2 O2 C41 -133.5(6) . . . . ?
O13 Zn2 O2 C41 -11.5(7) . . . . ?
Zn3 Zn2 O2 C41 -48.7(7) . . . . ?
O5 Zn2 O3 C15 126.9(6) . . . . ?
O2 Zn2 O3 C15 -117.9(6) . . . . ?
O13 Zn2 O3 C15 2.8(6) . . . . ?
Zn3 Zn2 O3 C15 40.4(6) . . . . ?
O10 Zn4 O4 C15 -119.5(6) . . . . ?
O13 Zn4 O4 C15 3.5(7) . . . . ?
O11 Zn4 O4 C15 123.4(6) . . . . ?
Zn3 Zn4 O4 C15 -33.6(7) . . . . ?
O3 Zn2 O5 C33 -124.1(6) . . . . ?
O2 Zn2 O5 C33 121.2(6) . . . . ?
O13 Zn2 O5 C33 -0.1(6) . . . . ?
Zn3 Zn2 O5 C33 -1.0(6) . . . . ?
O9 Zn3 O6 C33 124.7(6) . . . . ?
O8 Zn3 O6 C33 -118.8(6) . . . . ?
O13 Zn3 O6 C33 1.2(6) . . . . ?
Zn4 Zn3 O6 C33 39.1(6) . . . . ?
Zn2 Zn3 O6 C33 1.8(5) . . . . ?
O12 Zn1 O7 C28 123.3(6) . . . . ?
O1 Zn1 O7 C28 -124.6(6) . . . . ?
O13 Zn1 O7 C28 -0.9(7) . . . . ?
O9 Zn3 O8 C28 -124.7(6) . . . . ?
O6 Zn3 O8 C28 119.4(6) . . . . ?
O13 Zn3 O8 C28 -1.8(7) . . . . ?
Zn4 Zn3 O8 C28 -39.0(7) . . . . ?
Zn2 Zn3 O8 C28 35.3(7) . . . . ?
O8 Zn3 O9 C37 123.1(6) . . . . ?
O6 Zn3 O9 C37 -120.8(6) . . . . ?
O13 Zn3 O9 C37 2.1(6) . . . . ?
Zn4 Zn3 O9 C37 2.1(6) . . . . ?
Zn2 Zn3 O9 C37 -36.3(6) . . . . ?
O4 Zn4 O10 C37 127.6(6) . . . . ?
O13 Zn4 O10 C37 5.0(6) . . . . ?
O11 Zn4 O10 C37 -118.4(6) . . . . ?
Zn3 Zn4 O10 C37 3.6(5) . . . . ?
O10 Zn4 O11 C1 136.0(5) . . . . ?
O4 Zn4 O11 C1 -107.6(5) . . . . ?
O13 Zn4 O11 C1 12.3(6) . . . . ?
Zn3 Zn4 O11 C1 49.9(6) . . . . ?
O7 Zn1 O12 C1 -125.8(6) . . . . ?
O1 Zn1 O12 C1 117.3(6) . . . . ?
O13 Zn1 O12 C1 -0.8(7) . . . . ?
O9 Zn3 O13 Zn4 0.0(2) . . . . ?
O8 Zn3 O13 Zn4 -120.35(19) . . . . ?
O6 Zn3 O13 Zn4 120.7(2) . . . . ?
Zn2 Zn3 O13 Zn4 119.6(2) . . . . ?
O9 Zn3 O13 Zn1 120.4(2) . . . . ?
O8 Zn3 O13 Zn1 0.1(2) . . . . ?
O6 Zn3 O13 Zn1 -118.9(2) . . . . ?
Zn4 Zn3 O13 Zn1 120.4(2) . . . . ?
Zn2 Zn3 O13 Zn1 -120.0(3) . . . . ?
O9 Zn3 O13 Zn2 -119.6(2) . . . . ?
O8 Zn3 O13 Zn2 120.1(2) . . . . ?
O6 Zn3 O13 Zn2 1.1(2) . . . . ?
Zn4 Zn3 O13 Zn2 -119.6(2) . . . . ?
O10 Zn4 O13 Zn3 -2.3(2) . . . . ?
O4 Zn4 O13 Zn3 -123.5(2) . . . . ?
O11 Zn4 O13 Zn3 120.23(19) . . . . ?
O10 Zn4 O13 Zn1 -122.68(19) . . . . ?
O4 Zn4 O13 Zn1 116.1(2) . . . . ?
O11 Zn4 O13 Zn1 -0.2(2) . . . . ?
Zn3 Zn4 O13 Zn1 -120.4(2) . . . . ?
O10 Zn4 O13 Zn2 116.53(19) . . . . ?
O4 Zn4 O13 Zn2 -4.7(2) . . . . ?
O11 Zn4 O13 Zn2 -120.94(19) . . . . ?
Zn3 Zn4 O13 Zn2 118.8(2) . . . . ?
O12 Zn1 O13 Zn3 -123.4(2) . . . . ?
O7 Zn1 O13 Zn3 0.8(2) . . . . ?
O1 Zn1 O13 Zn3 123.9(2) . . . . ?
O12 Zn1 O13 Zn4 -3.9(2) . . . . ?
O7 Zn1 O13 Zn4 120.3(2) . . . . ?
O1 Zn1 O13 Zn4 -116.6(2) . . . . ?
O12 Zn1 O13 Zn2 117.1(2) . . . . ?
O7 Zn1 O13 Zn2 -118.7(2) . . . . ?
O1 Zn1 O13 Zn2 4.4(2) . . . . ?
O3 Zn2 O13 Zn3 121.2(2) . . . . ?
O5 Zn2 O13 Zn3 -1.5(2) . . . . ?
O2 Zn2 O13 Zn3 -120.8(2) . . . . ?
O3 Zn2 O13 Zn4 2.5(2) . . . . ?
O5 Zn2 O13 Zn4 -120.1(2) . . . . ?
O2 Zn2 O13 Zn4 120.56(19) . . . . ?
Zn3 Zn2 O13 Zn4 -118.7(2) . . . . ?
O3 Zn2 O13 Zn1 -118.5(2) . . . . ?
O5 Zn2 O13 Zn1 118.8(2) . . . . ?
O2 Zn2 O13 Zn1 -0.5(2) . . . . ?
Zn3 Zn2 O13 Zn1 120.3(3) . . . . ?
Zn1 O12 C1 O11 13.7(11) . . . . ?
Zn1 O12 C1 C2 -166.7(4) . . . . ?
Zn4 O11 C1 O12 -20.0(10) . . . . ?
Zn4 O11 C1 C2 160.4(4) . . . . ?
O12 C1 C2 C3 8.3(10) . . . . ?
O11 C1 C2 C3 -172.1(6) . . . . ?
O12 C1 C2 C7 -174.6(6) . . . . ?
O11 C1 C2 C7 5.0(9) . . . . ?
C7 C2 C3 C4 -2.7(11) . . . . ?
C1 C2 C3 C4 174.4(7) . . . . ?
C2 C3 C4 C5 1.1(13) . . . . ?
C3 C4 C5 C6 2.4(13) . . . . ?
C3 C4 C5 N1 -177.4(7) . . . . ?
C8 N1 C5 C4 44.0(12) . . . . ?
C14 N1 C5 C4 -138.0(8) . . . . ?
C8 N1 C5 C6 -135.9(8) . . . . ?
C14 N1 C5 C6 42.2(11) . . . . ?
C4 C5 C6 C7 -4.3(13) . . . . ?
N1 C5 C6 C7 175.5(7) . . . . ?
C5 C6 C7 C2 2.7(12) . . . . ?
C3 C2 C7 C6 0.7(11) . . . . ?
C1 C2 C7 C6 -176.4(7) . . . . ?
C14 N1 C8 C13 50.3(11) . . . . ?
C5 N1 C8 C13 -131.6(8) . . . . ?
C14 N1 C8 C9 -133.1(8) . . . . ?
C5 N1 C8 C9 45.0(11) . . . . ?
C13 C8 C9 C10 1.6(13) . . . . ?
N1 C8 C9 C10 -175.0(7) . . . . ?
C8 C9 C10 C11 0.4(12) . . . . ?
C9 C10 C11 C12 -2.4(12) . . . . ?
C9 C10 C11 C41 176.0(7) . . . 3_776 ?
C10 C11 C12 C13 2.5(12) . . . . ?
C41 C11 C12 C13 -175.9(7) 3_776 . . . ?
C9 C8 C13 C12 -1.5(13) . . . . ?
N1 C8 C13 C12 175.1(8) . . . . ?
C11 C12 C13 C8 -0.6(13) . . . . ?
C8 N1 C14 C42 26.6(12) . . . 4_576 ?
C5 N1 C14 C42 -151.4(8) . . . 4_576 ?
C8 N1 C14 C40 -146.4(8) . . . 4_576 ?
C5 N1 C14 C40 35.5(11) . . . 4_576 ?
Zn4 O4 C15 O3 2.3(12) . . . . ?
Zn4 O4 C15 C16 -178.6(4) . . . . ?
Zn2 O3 C15 O4 -5.9(11) . . . . ?
Zn2 O3 C15 C16 175.0(4) . . . . ?
O4 C15 C16 C17 -0.9(11) . . . . ?
O3 C15 C16 C17 178.3(8) . . . . ?
O4 C15 C16 C21 -179.1(8) . . . . ?
O3 C15 C16 C21 0.1(11) . . . . ?
C21 C16 C17 C18 -2.6(14) . . . . ?
C15 C16 C17 C18 179.1(8) . . . . ?
C16 C17 C18 C19 1.5(15) . . . . ?
C16 C17 C18 C22 178.4(10) . . . . ?
C17 C18 C19 C20 -0.2(16) . . . . ?
C22 C18 C19 C20 -177.1(11) . . . . ?
C17 C18 C19 C24 177.3(9) . . . . ?
C22 C18 C19 C24 0.5(15) . . . . ?
C18 C19 C20 C21 0.1(17) . . . . ?
C24 C19 C20 C21 -177.2(10) . . . . ?
C18 C19 C20 C23 178.3(11) . . . . ?
C24 C19 C20 C23 0.9(17) . . . . ?
C19 C20 C21 C16 -1.3(17) . . . . ?
C23 C20 C21 C16 -179.4(11) . . . . ?
C17 C16 C21 C20 2.5(15) . . . . ?
C15 C16 C21 C20 -179.3(9) . . . . ?
C20 C19 C24 C25 -90.1(14) . . . . ?
C18 C19 C24 C25 92.5(12) . . . . ?
C20 C19 C24 C30 87.0(14) . . . . ?
C18 C19 C24 C30 -90.5(12) . . . . ?
C30 C24 C25 C26 -0.4(15) . . . . ?
C19 C24 C25 C26 176.7(10) . . . . ?
C30 C24 C25 C32 -179.6(11) . . . . ?
C19 C24 C25 C32 -2.5(16) . . . . ?
C24 C25 C26 C27 1.7(15) . . . 1_455 ?
C32 C25 C26 C27 -179.0(10) . . . 1_455 ?
Zn1 O7 C28 O8 -0.7(12) . . . . ?
Zn1 O7 C28 C27 -179.1(5) . . . . ?
Zn3 O8 C28 O7 2.3(12) . . . . ?
Zn3 O8 C28 C27 -179.1(4) . . . . ?
C29 C27 C28 O7 179.0(8) 1_655 . . . ?
C26 C27 C28 O7 -2.4(12) 1_655 . . . ?
C29 C27 C28 O8 0.3(11) 1_655 . . . ?
C26 C27 C28 O8 179.0(7) 1_655 . . . ?
C27 C29 C30 C24 1.5(18) 1_455 . . . ?
C27 C29 C30 C31 -179.8(11) 1_455 . . . ?
C25 C24 C30 C29 -1.3(17) . . . . ?
C19 C24 C30 C29 -178.4(11) . . . . ?
C25 C24 C30 C31 -179.9(11) . . . . ?
C19 C24 C30 C31 3.0(17) . . . . ?
Zn2 O5 C33 O6 2.6(10) . . . . ?
Zn2 O5 C33 C34 -178.1(4) . . . . ?
Zn3 O6 C33 O5 -3.2(10) . . . . ?
Zn3 O6 C33 C34 177.4(4) . . . . ?
O5 C33 C34 C35 -177.9(7) . . . . ?
O6 C33 C34 C35 1.5(10) . . . . ?
O5 C33 C34 C36 0.8(10) . . . 3_775 ?
O6 C33 C34 C36 -179.8(6) . . . 3_775 ?
C36 C34 C35 C36 3.2(14) 3_775 . . . ?
C33 C34 C35 C36 -178.0(7) . . . . ?
C34 C35 C36 C34 -3.3(14) . . . 3_775 ?
Zn3 O9 C37 O10 -0.5(10) . . . . ?
Zn3 O9 C37 C38 178.9(4) . . . . ?
Zn4 O10 C37 O9 -3.6(10) . . . . ?
Zn4 O10 C37 C38 177.1(4) . . . . ?
O9 C37 C38 C43 -176.7(6) . . . . ?
O10 C37 C38 C43 2.7(10) . . . . ?
O9 C37 C38 C39 4.6(10) . . . . ?
O10 C37 C38 C39 -176.0(6) . . . . ?
C43 C38 C39 C40 0.1(12) . . . . ?
C37 C38 C39 C40 178.8(7) . . . . ?
C38 C39 C40 C14 1.5(12) . . . 4_575 ?
Zn2 O2 C41 O1 18.0(11) . . . . ?
Zn2 O2 C41 C11 -164.0(5) . . . 3_776 ?
Zn1 O1 C41 O2 -10.9(11) . . . . ?
Zn1 O1 C41 C11 171.0(5) . . . 3_776 ?
C14 C42 C43 C38 -3.2(12) 4_575 . . . ?
C39 C38 C43 C42 0.7(11) . . . . ?
C37 C38 C43 C42 -178.0(7) . . . . ?

_diffrn_measured_fraction_theta_max 0.984
_diffrn_reflns_theta_full        66.56
_diffrn_measured_fraction_theta_full 0.984
_refine_diff_density_max         0.843
_refine_diff_density_min         -0.808
_refine_diff_density_rms         0.143
_database_code_depnum_ccdc_archive 'CCDC 968573'
