#Supplementary Material (ESI) for Chemical Communications
#This journal is (c) The Royal Society of Chemistry 2011

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#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
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# 
#  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. 
# 
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#  fide research purposes only. It may contain copyright material 
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data_1
_database_code_depnum_ccdc_archive 'CCDC 800181'

#=========================================END

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C32 H30 N4 O18 Zn3'
_chemical_formula_sum            'C32 H30 N4 O18 Zn3'
_chemical_formula_weight         954.71

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

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   Fdd2
_symmetry_space_group_name_Hall  F2-2d

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'x+1/4, -y+1/4, z+1/4'
'-x+1/4, y+1/4, z+1/4'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'x+1/4, -y+3/4, z+3/4'
'-x+1/4, y+3/4, z+3/4'
'x+1/2, y, z+1/2'
'-x+1/2, -y, z+1/2'
'x+3/4, -y+1/4, z+3/4'
'-x+3/4, y+1/4, z+3/4'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'x+3/4, -y+3/4, z+1/4'
'-x+3/4, y+3/4, z+1/4'

_cell_length_a                   25.807(5)
_cell_length_b                   29.405(6)
_cell_length_c                   19.637(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     14902(5)
_cell_formula_units_Z            16
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    15213
_cell_measurement_theta_min      3.1582
_cell_measurement_theta_max      25.3491

_exptl_crystal_description       Block
_exptl_crystal_colour            Colorless
_exptl_crystal_size_max          0.59
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.30
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.702
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             7744
_exptl_absorpt_coefficient_mu    2.000
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.3849
_exptl_absorpt_correction_T_max  0.5852
_exptl_absorpt_process_details   SADABS

_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  'Mercury CCD'
_diffrn_measurement_method       dtprofit.ref
_diffrn_detector_area_resol_mean 14.6306
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            35902
_diffrn_reflns_av_R_equivalents  0.0554
_diffrn_reflns_av_sigmaI/netI    0.0454
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         3.16
_diffrn_reflns_theta_max         25.36
_reflns_number_total             6765
_reflns_number_gt                6184
_reflns_threshold_expression     >2sigma(I)

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

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ 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/[\s^2^(Fo^2^)+(0.1149P)^2^+260.2816P] where P=(Fo^2^+2Fc^2^)/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_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.46(3)
_refine_ls_number_reflns         6765
_refine_ls_number_parameters     475
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0830
_refine_ls_R_factor_gt           0.0762
_refine_ls_wR_factor_ref         0.1984
_refine_ls_wR_factor_gt          0.1922
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_restrained_S_all      1.055
_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 0.82821(4) 0.45123(3) 0.33573(4) 0.0290(2) Uani 1 1 d . . .
Zn2 Zn 0.68566(4) 0.43537(3) 0.08614(5) 0.0287(2) Uani 1 1 d . . .
Zn3 Zn 0.75458(5) 0.49662(5) 0.46705(8) 0.0569(4) Uani 1 1 d . . .
C1 C 0.8967(6) 0.6518(6) 0.1977(7) 0.069(4) Uani 1 1 d . . .
C2 C 0.8178(4) 0.5490(3) 0.3695(5) 0.035(2) Uani 1 1 d . . .
C3 C 0.8567(4) 0.6029(4) 0.2891(5) 0.043(2) Uani 1 1 d . . .
H3A H 0.8552 0.5795 0.2572 0.051 Uiso 1 1 calc R . .
C4 C 0.8384(4) 0.5958(3) 0.3539(4) 0.033(2) Uani 1 1 d . . .
C5 C 0.8378(4) 0.6306(3) 0.4015(4) 0.0325(19) Uani 1 1 d . . .
C6 C 0.8193(4) 0.6242(3) 0.4739(5) 0.039(2) Uani 1 1 d . . .
C7 C 0.6191(3) 0.3380(3) 0.3888(4) 0.0298(19) Uani 1 1 d . . .
C8 C 0.6042(3) 0.3081(3) 0.4489(4) 0.0304(19) Uani 1 1 d . . .
C9 C 0.6528(4) 0.3941(3) 0.2822(4) 0.032(2) Uani 1 1 d . . .
C10 C 0.6585(4) 0.3710(3) 0.3994(4) 0.033(2) Uani 1 1 d . . .
H10A H 0.6733 0.3741 0.4424 0.040 Uiso 1 1 calc R . .
C11 C 0.6149(3) 0.3614(3) 0.2724(4) 0.0293(19) Uani 1 1 d . . .
H11A H 0.6012 0.3575 0.2290 0.035 Uiso 1 1 calc R . .
C12 C 0.5966(3) 0.3342(3) 0.3254(4) 0.0293(18) Uani 1 1 d . . .
C13 C 0.6666(4) 0.4234(3) 0.2225(5) 0.039(2) Uani 1 1 d . . .
C14 C 0.8585(4) 0.6723(3) 0.3836(5) 0.041(2) Uani 1 1 d . . .
H14A H 0.8581 0.6962 0.4145 0.049 Uiso 1 1 calc R . .
C15 C 0.8777(4) 0.6456(4) 0.2709(5) 0.046(3) Uani 1 1 d . . .
C16 C 0.8798(5) 0.6784(4) 0.3195(5) 0.054(3) Uani 1 1 d . . .
C17 C 0.5487(3) 0.3061(3) 0.3102(5) 0.031(2) Uani 1 1 d . . .
C18 C 0.6750(3) 0.3986(3) 0.3465(4) 0.0295(18) Uani 1 1 d . . .
C19 C 0.7180(4) 0.4309(3) 0.3631(4) 0.0312(19) Uani 1 1 d . . .
C20 C 0.9135(7) 0.7193(5) 0.3046(6) 0.074(5) Uani 1 1 d . . .
C21 C 1.010(2) 0.595(2) 0.322(4) 0.33(3) Uiso 1 1 d . . .
H21A H 1.0069 0.5668 0.2987 0.492 Uiso 1 1 calc R . .
H21B H 1.0464 0.6036 0.3238 0.492 Uiso 1 1 calc R . .
H21C H 0.9918 0.6184 0.2969 0.492 Uiso 1 1 calc R . .
C22 C 0.950(3) 0.661(3) 0.532(4) 0.39(4) Uiso 1 1 d . . .
H22A H 0.9433 0.6834 0.5661 0.583 Uiso 1 1 calc R . .
H22B H 0.9210 0.6575 0.5028 0.583 Uiso 1 1 calc R . .
H22C H 0.9802 0.6694 0.5062 0.583 Uiso 1 1 calc R . .
C23 C 0.961(2) 0.6146(19) 0.568(3) 0.30(3) Uiso 1 1 d . . .
H23A H 0.9315 0.6011 0.5903 0.363 Uiso 1 1 calc R . .
H23B H 0.9919 0.6141 0.5964 0.363 Uiso 1 1 calc R . .
C24 C 0.947(2) 0.5404(19) 0.444(3) 0.28(3) Uiso 1 1 d . . .
H24A H 0.9289 0.5164 0.4641 0.336 Uiso 1 1 calc R . .
C25 C 0.9630(16) 0.5468(15) 0.376(3) 0.210(16) Uiso 1 1 d . . .
H25A H 0.9584 0.5291 0.3375 0.253 Uiso 1 1 calc R . .
C26 C 0.9924(19) 0.630(2) 0.437(3) 0.25(2) Uiso 1 1 d . . .
H26A H 1.0020 0.6605 0.4397 0.305 Uiso 1 1 calc R . .
C27 C 0.0053(15) 0.9413(15) 0.523(2) 0.27(3) Uani 1 1 d . . .
H27A H -0.0111 0.9195 0.5525 0.407 Uiso 1 1 calc R . .
H27B H -0.0207 0.9590 0.5003 0.407 Uiso 1 1 calc R . .
H27C H 0.0270 0.9610 0.5496 0.407 Uiso 1 1 calc R . .
C28 C 0.1254(16) 1.0441(10) 0.356(2) 0.22(2) Uani 1 1 d . . .
H28A H 0.1223 1.0503 0.3077 0.327 Uiso 1 1 calc R . .
H28B H 0.1613 1.0411 0.3673 0.327 Uiso 1 1 calc R . .
H28C H 0.1104 1.0686 0.3811 0.327 Uiso 1 1 calc R . .
C29 C 0.0367(8) 0.9174(8) 0.4727(15) 0.127(8) Uani 1 1 d . . .
H29A H 0.0638 0.9002 0.4952 0.152 Uiso 1 1 calc R . .
H29B H 0.0153 0.8964 0.4470 0.152 Uiso 1 1 calc R . .
C30 C 0.0341(10) 0.9427(10) 0.3657(14) 0.122(9) Uani 1 1 d . . .
H30A H 0.0086 0.9226 0.3513 0.146 Uiso 1 1 calc R . .
C31 C 0.0624(7) 0.9785(10) 0.3265(13) 0.124(9) Uani 1 1 d . . .
H31A H 0.0584 0.9860 0.2808 0.149 Uiso 1 1 calc R . .
C32 C 0.0901(7) 0.9776(6) 0.4343(9) 0.086(5) Uani 1 1 d . . .
H32A H 0.1087 0.9852 0.4732 0.103 Uiso 1 1 calc R . .
O1 O 0.5105(3) 0.3148(3) 0.3470(4) 0.0467(18) Uani 1 1 d . . .
O2 O 0.5514(3) 0.2800(2) 0.2625(4) 0.0461(18) Uani 1 1 d . . .
O3 O 0.6766(4) 0.4641(3) 0.2322(4) 0.064(2) Uani 1 1 d . . .
O4 O 0.6647(3) 0.4030(3) 0.1662(3) 0.054(2) Uani 1 1 d . . .
O5 O 0.8416(4) 0.5932(4) 0.5064(4) 0.078(3) Uani 1 1 d . . .
O6 O 0.7839(6) 0.6485(4) 0.4955(5) 0.099(4) Uani 1 1 d . . .
O7 O 0.7806(4) 0.5455(3) 0.4108(5) 0.069(3) Uani 1 1 d . . .
O8 O 0.8391(3) 0.5160(3) 0.3392(5) 0.058(2) Uani 1 1 d . . .
O9 O 0.8939(9) 0.6878(6) 0.1731(7) 0.173(10) Uani 1 1 d . . .
O10 O 0.6109(2) 0.3251(2) 0.5067(3) 0.0376(15) Uani 1 1 d . . .
O11 O 0.7573(3) 0.4292(3) 0.3238(4) 0.0461(18) Uani 1 1 d . . .
O12 O 0.7132(3) 0.4547(3) 0.4137(3) 0.0429(17) Uani 1 1 d . . .
O13 O 0.9039(6) 0.7534(3) 0.3266(7) 0.106(5) Uani 1 1 d . . .
O14 O 0.9541(5) 0.7134(4) 0.2695(6) 0.104(4) Uani 1 1 d . . .
O15 O 0.1338(12) 0.9527(8) 0.5871(12) 0.218(12) Uani 1 1 d . . .
H15A H 0.1604 0.9430 0.5662 0.262 Uiso 1 1 d R . .
H15B H 0.1125 0.9635 0.5583 0.262 Uiso 1 1 d R . .
O16 O 0.2532(5) 0.9645(5) 0.6957(8) 0.111(5) Uani 1 1 d . . .
H16A H 0.2725 0.9800 0.6694 0.133 Uiso 1 1 d R . .
H16B H 0.2246 0.9769 0.7066 0.133 Uiso 1 1 d R . .
O17 O 0.5886(3) 0.2694(3) 0.4363(4) 0.052(2) Uani 1 1 d . . .
O18 O 0.9146(9) 0.6204(5) 0.1679(7) 0.162(9) Uani 1 1 d . . .
N1 N 0.9717(15) 0.5955(15) 0.480(2) 0.230(15) Uiso 1 1 d . . .
N2 N 0.9907(16) 0.5920(17) 0.386(2) 0.244(16) Uiso 1 1 d . . .
N3 N 0.0957(8) 0.9979(7) 0.3730(10) 0.127(7) Uani 1 1 d . . .
N4 N 0.0572(8) 0.9479(6) 0.432(3) 0.25(3) Uani 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Zn1 0.0362(5) 0.0329(5) 0.0178(4) -0.0043(4) 0.0014(4) -0.0029(4)
Zn2 0.0345(5) 0.0300(5) 0.0217(5) 0.0046(4) 0.0038(4) 0.0028(4)
Zn3 0.0609(8) 0.0557(7) 0.0541(8) -0.0338(6) 0.0301(7) -0.0299(6)
C1 0.075(8) 0.087(10) 0.045(7) -0.014(7) 0.014(6) -0.034(8)
C2 0.041(5) 0.029(5) 0.035(5) -0.010(4) -0.017(4) 0.000(4)
C3 0.064(7) 0.046(6) 0.019(4) -0.002(4) 0.011(4) -0.015(5)
C4 0.040(5) 0.033(5) 0.025(5) 0.006(3) 0.001(3) -0.011(4)
C5 0.039(5) 0.032(5) 0.026(5) 0.007(4) 0.001(4) 0.001(4)
C6 0.053(6) 0.034(5) 0.029(5) -0.004(4) 0.008(4) -0.006(4)
C7 0.033(4) 0.035(5) 0.021(4) 0.007(3) -0.001(3) -0.013(4)
C8 0.033(4) 0.042(5) 0.016(4) 0.013(4) -0.001(3) -0.004(4)
C9 0.037(5) 0.043(5) 0.017(4) -0.005(4) -0.005(4) -0.011(4)
C10 0.036(5) 0.047(5) 0.018(4) -0.002(4) -0.004(3) -0.006(4)
C11 0.031(4) 0.035(5) 0.022(4) -0.001(3) -0.007(3) -0.017(4)
C12 0.034(4) 0.032(4) 0.021(4) -0.002(3) 0.008(4) -0.009(3)
C13 0.044(5) 0.044(5) 0.029(5) 0.009(4) 0.001(4) -0.021(4)
C14 0.057(6) 0.040(5) 0.026(5) -0.006(4) 0.004(4) -0.019(5)
C15 0.051(6) 0.065(7) 0.021(5) 0.005(4) 0.005(4) -0.022(5)
C16 0.071(7) 0.058(7) 0.032(6) 0.016(5) 0.000(5) -0.037(6)
C17 0.034(5) 0.031(5) 0.029(5) 0.008(4) -0.003(4) -0.008(4)
C18 0.028(4) 0.042(5) 0.018(4) 0.001(4) -0.006(3) -0.015(4)
C19 0.042(5) 0.030(5) 0.022(4) 0.001(3) 0.001(4) -0.009(4)
C20 0.133(13) 0.065(9) 0.025(6) 0.006(6) 0.000(7) -0.051(9)
C27 0.20(3) 0.30(5) 0.31(5) 0.19(5) 0.16(4) 0.13(4)
C28 0.27(4) 0.12(2) 0.26(5) 0.07(3) -0.11(4) -0.07(3)
C29 0.079(12) 0.104(15) 0.20(2) 0.001(16) 0.033(15) -0.004(11)
C30 0.088(16) 0.123(19) 0.15(2) -0.046(16) -0.028(15) 0.033(14)
C31 0.058(9) 0.18(2) 0.131(18) -0.074(18) -0.029(11) 0.057(13)
C32 0.105(13) 0.083(11) 0.070(10) -0.001(8) 0.001(9) 0.009(10)
O1 0.036(4) 0.064(5) 0.040(4) -0.001(3) -0.012(3) -0.019(3)
O2 0.055(4) 0.050(4) 0.034(4) -0.018(3) -0.011(3) -0.015(3)
O3 0.099(7) 0.047(5) 0.046(5) 0.007(4) 0.002(4) -0.035(4)
O4 0.086(6) 0.055(5) 0.021(3) 0.006(3) 0.000(4) -0.020(4)
O5 0.063(5) 0.134(9) 0.036(4) 0.037(5) 0.016(4) 0.023(6)
O6 0.153(11) 0.067(6) 0.077(7) 0.020(5) 0.069(7) 0.045(7)
O7 0.071(5) 0.036(4) 0.099(7) -0.013(4) 0.050(5) -0.010(4)
O8 0.078(5) 0.035(4) 0.063(5) -0.014(4) 0.016(5) -0.008(4)
O9 0.30(2) 0.158(13) 0.067(7) 0.078(9) 0.105(11) 0.146(15)
O10 0.043(4) 0.053(4) 0.017(3) 0.001(3) -0.003(3) -0.012(3)
O11 0.040(4) 0.057(4) 0.041(4) -0.010(3) 0.018(3) -0.015(3)
O12 0.041(4) 0.055(4) 0.033(4) -0.021(3) 0.001(3) -0.016(3)
O13 0.187(13) 0.028(5) 0.104(9) -0.001(5) -0.069(9) -0.006(6)
O14 0.118(9) 0.094(8) 0.100(8) 0.021(6) 0.077(7) -0.054(7)
O15 0.31(3) 0.23(2) 0.123(15) 0.028(17) -0.029(19) -0.13(2)
O16 0.075(7) 0.116(10) 0.143(14) -0.016(9) -0.020(7) 0.010(7)
O17 0.073(5) 0.050(5) 0.032(4) 0.014(3) -0.006(3) -0.025(4)
O18 0.33(3) 0.082(9) 0.076(8) -0.015(7) 0.098(12) -0.064(12)
N3 0.125(15) 0.140(15) 0.117(14) -0.040(12) -0.012(12) 0.084(13)
N4 0.080(13) 0.062(11) 0.61(8) -0.06(2) 0.11(3) -0.015(10)

_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 O9 1.903(10) 16_645 ?
Zn1 O10 1.928(6) 7_554 ?
Zn1 O8 1.928(7) . ?
Zn1 O11 1.955(7) . ?
Zn2 O5 1.912(8) 10_664 ?
Zn2 O4 1.916(7) . ?
Zn2 O1 1.942(7) 7_554 ?
Zn2 O13 1.989(10) 11_464 ?
Zn3 O14 1.774(7) 16_645 ?
Zn3 O7 1.933(9) . ?
Zn3 O12 1.939(6) . ?
Zn3 O2 1.961(6) 4_655 ?
C1 O9 1.17(2) . ?
C1 O18 1.19(2) . ?
C1 C15 1.529(16) . ?
C2 O8 1.263(12) . ?
C2 O7 1.262(13) . ?
C2 C4 1.508(13) . ?
C3 C4 1.372(13) . ?
C3 C15 1.416(15) . ?
C4 C5 1.386(13) . ?
C5 C14 1.381(13) . ?
C5 C6 1.512(13) . ?
C6 O6 1.237(14) . ?
C6 O5 1.253(14) . ?
C7 C12 1.379(12) . ?
C7 C10 1.419(13) . ?
C7 C8 1.522(11) . ?
C8 O17 1.231(12) . ?
C8 O10 1.253(11) . ?
C9 C11 1.384(12) . ?
C9 C18 1.392(12) . ?
C9 C13 1.497(12) . ?
C10 C18 1.388(13) . ?
C11 C12 1.395(12) . ?
C12 C17 1.515(12) . ?
C13 O3 1.240(12) . ?
C13 O4 1.260(13) . ?
C14 C16 1.386(14) . ?
C15 C16 1.357(16) . ?
C16 C20 1.512(15) . ?
C17 O2 1.214(12) . ?
C17 O1 1.250(12) . ?
C18 C19 1.496(11) . ?
C19 O12 1.222(11) . ?
C19 O11 1.276(11) . ?
C20 O13 1.120(18) . ?
C20 O14 1.267(19) . ?
C21 N2 1.37(7) . ?
C22 C23 1.55(7) . ?
C23 N1 1.83(7) . ?
C24 C25 1.40(6) . ?
C24 N1 1.89(6) . ?
C25 N2 1.52(5) . ?
C26 N1 1.42(6) . ?
C26 N2 1.50(6) . ?
C27 C29 1.46(4) . ?
C28 N3 1.59(3) . ?
C29 N4 1.32(4) . ?
C30 N4 1.43(5) . ?
C30 C31 1.49(4) . ?
C31 N3 1.38(3) . ?
C32 N4 1.22(3) . ?
C32 N3 1.35(3) . ?
O1 Zn2 1.942(7) 15_455 ?
O2 Zn3 1.961(6) 8_644 ?
O5 Zn2 1.912(8) 10_665 ?
O9 Zn1 1.903(10) 12_654 ?
O10 Zn1 1.928(6) 15_455 ?
O13 Zn2 1.989(10) 3_565 ?
O14 Zn3 1.774(7) 12_654 ?

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
O9 Zn1 O10 118.5(8) 16_645 7_554 ?
O9 Zn1 O8 96.8(5) 16_645 . ?
O10 Zn1 O8 111.1(3) 7_554 . ?
O9 Zn1 O11 113.2(6) 16_645 . ?
O10 Zn1 O11 100.4(3) 7_554 . ?
O8 Zn1 O11 118.0(4) . . ?
O5 Zn2 O4 110.5(4) 10_664 . ?
O5 Zn2 O1 117.1(4) 10_664 7_554 ?
O4 Zn2 O1 100.9(3) . 7_554 ?
O5 Zn2 O13 99.7(5) 10_664 11_464 ?
O4 Zn2 O13 114.2(5) . 11_464 ?
O1 Zn2 O13 115.0(5) 7_554 11_464 ?
O14 Zn3 O7 122.2(5) 16_645 . ?
O14 Zn3 O12 107.2(5) 16_645 . ?
O7 Zn3 O12 110.8(4) . . ?
O14 Zn3 O2 117.0(5) 16_645 4_655 ?
O7 Zn3 O2 98.2(3) . 4_655 ?
O12 Zn3 O2 99.1(3) . 4_655 ?
O9 C1 O18 121.8(14) . . ?
O9 C1 C15 118.4(14) . . ?
O18 C1 C15 119.8(15) . . ?
O8 C2 O7 125.0(9) . . ?
O8 C2 C4 116.8(9) . . ?
O7 C2 C4 118.2(9) . . ?
C4 C3 C15 120.1(9) . . ?
C3 C4 C5 121.1(8) . . ?
C3 C4 C2 116.6(8) . . ?
C5 C4 C2 122.2(8) . . ?
C14 C5 C4 118.6(8) . . ?
C14 C5 C6 118.2(8) . . ?
C4 C5 C6 123.0(8) . . ?
O6 C6 O5 126.0(10) . . ?
O6 C6 C5 118.9(10) . . ?
O5 C6 C5 115.2(9) . . ?
C12 C7 C10 119.4(7) . . ?
C12 C7 C8 123.1(8) . . ?
C10 C7 C8 117.5(7) . . ?
O17 C8 O10 126.6(8) . . ?
O17 C8 C7 117.4(8) . . ?
O10 C8 C7 115.9(8) . . ?
C11 C9 C18 118.9(8) . . ?
C11 C9 C13 117.2(7) . . ?
C18 C9 C13 123.9(8) . . ?
C18 C10 C7 120.7(8) . . ?
C9 C11 C12 122.3(8) . . ?
C7 C12 C11 118.9(7) . . ?
C7 C12 C17 124.4(7) . . ?
C11 C12 C17 116.3(7) . . ?
O3 C13 O4 127.0(9) . . ?
O3 C13 C9 119.0(9) . . ?
O4 C13 C9 113.9(8) . . ?
C5 C14 C16 120.0(9) . . ?
C16 C15 C3 117.9(8) . . ?
C16 C15 C1 124.4(10) . . ?
C3 C15 C1 117.8(10) . . ?
C15 C16 C14 122.1(9) . . ?
C15 C16 C20 116.8(10) . . ?
C14 C16 C20 120.5(10) . . ?
O2 C17 O1 128.4(9) . . ?
O2 C17 C12 116.7(8) . . ?
O1 C17 C12 114.8(8) . . ?
C10 C18 C9 119.8(7) . . ?
C10 C18 C19 115.9(7) . . ?
C9 C18 C19 124.3(8) . . ?
O12 C19 O11 126.6(8) . . ?
O12 C19 C18 117.7(8) . . ?
O11 C19 C18 115.6(8) . . ?
O13 C20 O14 121.0(14) . . ?
O13 C20 C16 120.6(16) . . ?
O14 C20 C16 118.2(14) . . ?
C22 C23 N1 83(5) . . ?
C25 C24 N1 98(4) . . ?
C24 C25 N2 98(5) . . ?
N1 C26 N2 81(4) . . ?
N4 C29 C27 108(2) . . ?
N4 C30 C31 101(3) . . ?
N3 C31 C30 105(2) . . ?
N4 C32 N3 111(3) . . ?
C17 O1 Zn2 136.1(6) . 15_455 ?
C17 O2 Zn3 128.8(7) . 8_644 ?
C13 O4 Zn2 118.3(6) . . ?
C6 O5 Zn2 124.5(7) . 10_665 ?
C2 O7 Zn3 133.7(7) . . ?
C2 O8 Zn1 135.3(8) . . ?
C1 O9 Zn1 122.5(11) . 12_654 ?
C8 O10 Zn1 120.6(6) . 15_455 ?
C19 O11 Zn1 131.2(6) . . ?
C19 O12 Zn3 138.3(7) . . ?
C20 O13 Zn2 139.1(15) . 3_565 ?
C20 O14 Zn3 137.6(11) . 12_654 ?
C26 N1 C24 121(4) . . ?
C26 N1 C23 113(4) . . ?
C24 N1 C23 125(4) . . ?
C21 N2 C26 124(6) . . ?
C21 N2 C25 97(5) . . ?
C26 N2 C25 139(5) . . ?
C32 N3 C31 110(2) . . ?
C32 N3 C28 128(2) . . ?
C31 N3 C28 121(2) . . ?
C32 N4 C29 138(5) . . ?
C32 N4 C30 114(4) . . ?
C29 N4 C30 108(2) . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        25.36
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         1.862
_refine_diff_density_min         -1.982
_refine_diff_density_rms         0.144