 
data_111 
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'C32 H34 N8 O23 Zn4' 
_chemical_formula_weight          1160.15 
 
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' 
 
_symmetry_cell_setting            triclinic 
_symmetry_space_group_name_H-M    P-1 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, -y, -z' 
 
_cell_length_a                    9.7083(3) 
_cell_length_b                    12.3721(8) 
_cell_length_c                    18.0053(5) 
_cell_angle_alpha                 91.074(4) 
_cell_angle_beta                  95.987(3) 
_cell_angle_gamma                 99.217(4) 
_cell_volume                      2121.70(16) 
_cell_formula_units_Z             2 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     5465 
_cell_measurement_theta_min       2.441 
_cell_measurement_theta_max       23.465 
 
_exptl_crystal_description        block 
_exptl_crystal_colour             colorless
_exptl_crystal_size_max           0.34 
_exptl_crystal_size_mid           0.16 
_exptl_crystal_size_min           0.11 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.816 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              1172 
_exptl_absorpt_coefficient_mu     2.331 
_exptl_absorpt_correction_type    multi-scan 
_exptl_absorpt_correction_T_min   0.5045 
_exptl_absorpt_correction_T_max   0.7835 
_exptl_absorpt_process_details    'SADABS; Bruker, 2000' 
 
_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   'Rigaku Saturn724 CCD' 
_diffrn_measurement_method        ? 
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             17044 
_diffrn_reflns_av_R_equivalents   0.0226 
_diffrn_reflns_av_sigmaI/netI     0.0359 
_diffrn_reflns_limit_h_min        -11 
_diffrn_reflns_limit_h_max        11 
_diffrn_reflns_limit_k_min        -14 
_diffrn_reflns_limit_k_max        14 
_diffrn_reflns_limit_l_min        -21 
_diffrn_reflns_limit_l_max        19 
_diffrn_reflns_theta_min          2.92 
_diffrn_reflns_theta_max          25.01 
_reflns_number_total              7478 
_reflns_number_gt                 5573 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection        ? 
_computing_cell_refinement        ? 
_computing_data_reduction         ? 
_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 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)+(0.0305P)²+3.8906P] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     mixed 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          7478 
_refine_ls_number_parameters      627 
_refine_ls_number_restraints      7 
_refine_ls_R_factor_all           0.0575 
_refine_ls_R_factor_gt            0.0381 
_refine_ls_wR_factor_ref          0.0971 
_refine_ls_wR_factor_gt           0.0903 
_refine_ls_goodness_of_fit_ref    1.091 
_refine_ls_restrained_S_all       1.090 
_refine_ls_shift/su_max           0.000 
_refine_ls_shift/su_mean          0.000 
 
loop_ 
 _atom_site_label 
 _atom_site_type_symbol 
 _atom_site_fract_x 
 _atom_site_fract_y 
 _atom_site_fract_z 
 _atom_site_U_iso_or_equiv 
 _atom_site_adp_type 
 _atom_site_occupancy 
 _atom_site_symmetry_multiplicity 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_assembly 
 _atom_site_disorder_group 
Zn1 Zn 1.32421(4) 1.09775(4) 0.60065(2) 0.02276(13) Uani 1 1 d . . . 
Zn2 Zn 0.65927(4) 0.89712(4) -0.09792(2) 0.02354(13) Uani 1 1 d . . . 
Zn3 Zn 1.15927(5) 1.28574(5) 0.51466(2) 0.03151(15) Uani 1 1 d . . . 
Zn4 Zn 0.81548(5) 0.71171(5) -0.00443(2) 0.03003(14) Uani 1 1 d . . . 
O7 O 1.4954(3) 0.9190(3) 0.34315(15) 0.0284(7) Uani 1 1 d . . . 
O11 O 0.9085(3) 0.7885(3) 0.08607(15) 0.0350(8) Uani 1 1 d . . . 
O1 O 1.0985(3) 1.2142(3) 0.41629(14) 0.0343(8) Uani 1 1 d . . . 
O5 O 0.5194(3) 1.0728(3) 0.15135(15) 0.0295(7) Uani 1 1 d . . . 
O12 O 1.0935(3) 0.7072(3) 0.07494(16) 0.0456(9) Uani 1 1 d . . . 
O14 O 1.3358(3) 1.2343(3) 0.54847(15) 0.0304(7) Uani 1 1 d . . . 
O3 O 1.2018(3) 1.0990(3) 0.17142(14) 0.0309(7) Uani 1 1 d . . . 
O9 O 0.9493(3) 0.8779(3) 0.42765(14) 0.0290(7) Uani 1 1 d . . . 
O10 O 0.8161(3) 0.9149(3) 0.32672(15) 0.0307(7) Uani 1 1 d . . . 
N6 N 1.2944(3) 0.9792(3) 0.51954(16) 0.0245(8) Uani 1 1 d . . . 
N1 N 0.7806(3) 1.1072(3) 0.08672(16) 0.0197(7) Uani 1 1 d . . . 
O15 O 0.6471(3) 0.7691(3) -0.03849(16) 0.0352(8) Uani 1 1 d . . . 
N3 N 0.7094(3) 1.0213(3) -0.01946(17) 0.0256(8) Uani 1 1 d . . . 
O4 O 1.0663(3) 1.1339(3) 0.07109(14) 0.0320(7) Uani 1 1 d . . . 
O6 O 0.5325(3) 1.2436(3) 0.1942(2) 0.0534(10) Uani 1 1 d . . . 
N4 N 1.2339(3) 0.8963(3) 0.41173(16) 0.0207(7) Uani 1 1 d . . . 
O2 O 0.9122(3) 1.2923(3) 0.42591(15) 0.0400(8) Uani 1 1 d . . . 
C15 C 1.0844(4) 0.8068(3) 0.1878(2) 0.0222(9) Uani 1 1 d . . . 
N2 N 0.7064(4) 1.1757(3) 0.04645(18) 0.0291(8) Uani 1 1 d . . . 
O8 O 1.4721(3) 0.7437(3) 0.30594(18) 0.0454(9) Uani 1 1 d . . . 
O13 O 1.2529(4) 1.4377(3) 0.48045(19) 0.0541(10) Uani 1 1 d . . . 
H13A H 1.3223 1.4305 0.4542 0.081 Uiso 1 1 d R . . 
H13B H 1.2868 1.4814 0.5192 0.081 Uiso 1 1 d RD . . 
C1 C 0.9807(4) 1.2381(4) 0.3902(2) 0.0250(10) Uani 1 1 d . . . 
N7 N 0.8768(4) 0.6246(3) -0.08799(18) 0.0321(9) Uani 1 1 d . . . 
N8 N 1.0899(3) 0.3621(3) -0.39840(18) 0.0268(8) Uani 1 1 d . . . 
C16 C 0.9972(4) 0.8470(3) 0.2339(2) 0.0234(9) Uani 1 1 d . . . 
H16 H 0.9076 0.8563 0.2143 0.028 Uiso 1 1 calc R . . 
C6 C 0.7402(4) 1.1641(3) 0.2104(2) 0.0214(9) Uani 1 1 d . . . 
C5 C 0.8350(4) 1.1348(3) 0.16353(19) 0.0190(8) Uani 1 1 d . . . 
O24 O 0.6234(6) 0.8735(5) 0.1762(3) 0.0966(16) Uani 1 1 d G . . 
H24A H 0.5841 0.8574 0.1321 0.145 Uiso 1 1 d GD . . 
H24B H 0.5982 0.8218 0.2048 0.145 Uiso 1 1 d GD . . 
C17 C 1.0414(4) 0.8738(3) 0.3095(2) 0.0198(9) Uani 1 1 d . . . 
C12 C 1.4244(4) 0.8288(4) 0.3146(2) 0.0264(10) Uani 1 1 d . . . 
C4 C 0.9754(4) 1.1365(3) 0.1891(2) 0.0213(9) Uani 1 1 d . . . 
O20 O 1.3700(4) 1.1062(3) 0.3172(2) 0.0602(11) Uani 1 1 d G . . 
H20A H 1.4335 1.1586 0.3346 0.090 Uiso 1 1 d GD . . 
H20B H 1.3470 1.1155 0.2712 0.090 Uiso 1 1 d G . . 
N5 N 1.3052(4) 0.8269(3) 0.45317(18) 0.0298(9) Uani 1 1 d . . . 
C14 C 1.2212(4) 0.7980(4) 0.2161(2) 0.0236(9) Uani 1 1 d . . . 
H14 H 1.2791 0.7685 0.1860 0.028 Uiso 1 1 calc R . . 
C10 C 0.7814(4) 1.0157(4) 0.0467(2) 0.0249(9) Uani 1 1 d . . . 
H10 H 0.8254 0.9574 0.0625 0.030 Uiso 1 1 calc R . . 
C19 C 0.9300(4) 0.8924(3) 0.3595(2) 0.0231(9) Uani 1 1 d . . . 
C11 C 0.6655(4) 1.1203(4) -0.0166(2) 0.0278(10) Uani 1 1 d . . . 
H11 H 0.6113 1.1461 -0.0559 0.033 Uiso 1 1 calc R . . 
C2 C 0.9274(4) 1.1982(4) 0.3111(2) 0.0220(9) Uani 1 1 d . . . 
C21 C 1.2286(4) 0.9855(4) 0.4522(2) 0.0237(9) Uani 1 1 d . . . 
H21 H 1.1851 1.0438 0.4358 0.028 Uiso 1 1 calc R . . 
C28 C 1.0040(4) 0.4653(4) -0.2766(2) 0.0297(10) Uani 1 1 d . . . 
C20 C 1.0276(4) 0.7639(4) 0.1099(2) 0.0267(10) Uani 1 1 d . . . 
C13 C 1.2712(4) 0.8328(3) 0.2887(2) 0.0223(9) Uani 1 1 d . . . 
C8 C 0.5856(4) 1.1611(4) 0.1834(2) 0.0287(11) Uani 1 1 d . . . 
C7 C 0.7889(4) 1.1989(4) 0.2836(2) 0.0244(9) Uani 1 1 d . . . 
H7 H 0.7280 1.2228 0.3144 0.029 Uiso 1 1 calc R . . 
C3 C 1.0190(4) 1.1655(3) 0.2645(2) 0.0222(9) Uani 1 1 d . . . 
H3 H 1.1111 1.1627 0.2836 0.027 Uiso 1 1 calc R . . 
O19 O 1.4433(4) 1.2854(4) 0.4097(3) 0.0732(12) Uani 1 1 d G . . 
H19A H 1.3739 1.2627 0.4336 0.110 Uiso 1 1 d G . . 
H19B H 1.4171 1.3234 0.3737 0.110 Uiso 1 1 d GD . . 
C32 C 0.9291(5) 0.4569(5) -0.3448(2) 0.0458(14) Uani 1 1 d . . . 
H32 H 0.8468 0.4866 -0.3519 0.055 Uiso 1 1 calc R . . 
O16 O 0.7210(4) 0.5764(3) 0.0510(2) 0.0560(10) Uani 1 1 d . . . 
H16A H 0.6704 0.5234 0.0190 0.084 Uiso 1 1 d RD . . 
H16B H 0.6606 0.5944 0.0827 0.084 Uiso 1 1 d R . . 
C22 C 1.3391(4) 0.8808(4) 0.5173(2) 0.0305(10) Uani 1 1 d . . . 
H22 H 1.3894 0.8541 0.5578 0.037 Uiso 1 1 calc R . . 
C25 C 0.9591(4) 0.5213(4) -0.2107(2) 0.0297(10) Uani 1 1 d . . . 
C9 C 1.0869(4) 1.1207(4) 0.1385(2) 0.0227(9) Uani 1 1 d . . . 
O22 O 0.5534(6) 0.4510(4) 0.2571(3) 0.0901(15) Uani 1 1 d G . . 
H22A H 0.5714 0.4072 0.2239 0.135 Uiso 1 1 d G . . 
H22B H 0.5917 0.4363 0.2996 0.135 Uiso 1 1 d G . . 
C23 C 1.0082(5) 0.6092(5) -0.0903(2) 0.0454(14) Uani 1 1 d . . . 
H23 H 1.0733 0.6330 -0.0494 0.055 Uiso 1 1 calc R . . 
O23 O 0.5508(5) 0.6320(5) 0.1567(3) 0.0985(17) Uani 1 1 d G . . 
H23A H 0.5168 0.6786 0.1293 0.148 Uiso 1 1 d GD . . 
H23B H 0.5350 0.6424 0.2016 0.148 Uiso 1 1 d GD . . 
C18 C 1.1806(4) 0.8684(3) 0.33529(19) 0.0191(8) Uani 1 1 d . . . 
C26 C 0.8243(5) 0.5392(6) -0.2088(3) 0.064(2) Uani 1 1 d . . . 
H26 H 0.7575 0.5161 -0.2492 0.077 Uiso 1 1 calc R . . 
C31 C 0.9742(5) 0.4042(5) -0.4039(2) 0.0425(13) Uani 1 1 d . . . 
H31 H 0.9195 0.3984 -0.4498 0.051 Uiso 1 1 calc R . . 
C24 C 1.0531(5) 0.5595(5) -0.1504(3) 0.0460(14) Uani 1 1 d . . . 
H24 H 1.1470 0.5519 -0.1500 0.055 Uiso 1 1 calc R . . 
C27 C 0.7866(5) 0.5906(5) -0.1483(3) 0.0622(19) Uani 1 1 d . . . 
H27 H 0.6943 0.6024 -0.1489 0.075 Uiso 1 1 calc R . . 
C29 C 1.1258(5) 0.4176(4) -0.2695(2) 0.0384(12) Uani 1 1 d . . . 
H29 H 1.1797 0.4191 -0.2236 0.046 Uiso 1 1 calc R . . 
C30 C 1.1643(5) 0.3688(4) -0.3310(2) 0.0392(12) Uani 1 1 d . . . 
H30 H 1.2464 0.3386 -0.3258 0.047 Uiso 1 1 calc R . . 
O17 O 1.3054(4) 1.5920(3) 0.5940(3) 0.0656(11) Uani 1 1 d G . . 
H17A H 1.2252 1.6118 0.5910 0.098 Uiso 1 1 d G . . 
H17B H 1.3636 1.6411 0.5765 0.098 Uiso 1 1 d GD . . 
O18 O 0.6490(8) 0.3864(4) -0.0350(5) 0.146(3) Uani 1 1 d G . . 
H18A H 0.6235 0.3463 0.0005 0.219 Uiso 1 1 d GD . . 
H18B H 0.7351 0.3852 -0.0393 0.219 Uiso 1 1 d GD . . 
 
 
_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 O14 1.942(3) . ? 
Zn1 O7 1.972(3) 2_876 ? 
Zn1 O10 1.975(3) 2_776 ? 
Zn1 N6 2.016(3) . ? 
Zn2 O15 1.923(3) . ? 
Zn2 O3 1.982(2) 2_775 ? 
Zn2 O5 1.986(3) 2_675 ? 
Zn2 N3 2.032(3) . ? 
Zn3 O1 1.956(3) . ? 
Zn3 O14 1.964(3) . ? 
Zn3 N8 2.041(3) 1_566 ? 
Zn3 O13 2.086(4) . ? 
Zn3 O9 2.431(3) 2_776 ? 
Zn4 O15 1.932(3) . ? 
Zn4 O11 1.932(3) . ? 
Zn4 N7 2.028(3) . ? 
Zn4 O16 2.098(4) . ? 
Zn4 O4 2.465(3) 2_775 ? 
O7 C12 1.282(5) . ? 
O7 Zn1 1.972(3) 2_876 ? 
O11 C20 1.276(5) . ? 
O1 C1 1.272(5) . ? 
O5 C8 1.271(5) . ? 
O5 Zn2 1.986(3) 2_675 ? 
O12 C20 1.228(5) . ? 
O3 C9 1.276(4) . ? 
O3 Zn2 1.982(2) 2_775 ? 
O9 C19 1.242(4) . ? 
O9 Zn3 2.431(3) 2_776 ? 
O10 C19 1.272(4) . ? 
O10 Zn1 1.975(2) 2_776 ? 
N6 C21 1.320(5) . ? 
N6 C22 1.358(5) . ? 
N1 C10 1.332(5) . ? 
N1 N2 1.369(4) . ? 
N1 C5 1.443(4) . ? 
N3 C10 1.326(5) . ? 
N3 C11 1.362(5) . ? 
O4 C9 1.228(4) . ? 
O4 Zn4 2.465(3) 2_775 ? 
O6 C8 1.236(5) . ? 
N4 C21 1.323(5) . ? 
N4 N5 1.371(5) . ? 
N4 C18 1.434(4) . ? 
O2 C1 1.234(5) . ? 
C15 C16 1.385(5) . ? 
C15 C14 1.394(5) . ? 
C15 C20 1.508(5) . ? 
N2 C11 1.305(5) . ? 
O8 C12 1.231(5) . ? 
C1 C2 1.509(5) . ? 
N7 C23 1.324(5) . ? 
N7 C27 1.338(6) . ? 
N8 C31 1.307(5) . ? 
N8 C30 1.340(5) . ? 
N8 Zn3 2.041(3) 1_544 ? 
C16 C17 1.400(5) . ? 
C6 C7 1.388(5) . ? 
C6 C5 1.396(5) . ? 
C6 C8 1.524(5) . ? 
C5 C4 1.389(5) . ? 
C17 C18 1.396(5) . ? 
C17 C19 1.520(5) . ? 
C12 C13 1.520(5) . ? 
C4 C3 1.401(5) . ? 
C4 C9 1.519(5) . ? 
N5 C22 1.307(5) . ? 
C14 C13 1.382(5) . ? 
C2 C3 1.384(5) . ? 
C2 C7 1.385(5) . ? 
C28 C32 1.354(6) . ? 
C28 C29 1.399(6) . ? 
C28 C25 1.500(5) . ? 
C13 C18 1.390(5) . ? 
C32 C31 1.383(6) . ? 
C25 C26 1.366(6) . ? 
C25 C24 1.369(6) . ? 
C23 C24 1.378(6) . ? 
C26 C27 1.362(6) . ? 
C29 C30 1.365(6) . ? 
 
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 
O14 Zn1 O7 112.28(12) . 2_876 ? 
O14 Zn1 O10 112.50(12) . 2_776 ? 
O7 Zn1 O10 106.67(11) 2_876 2_776 ? 
O14 Zn1 N6 105.18(13) . . ? 
O7 Zn1 N6 103.95(12) 2_876 . ? 
O10 Zn1 N6 116.07(13) 2_776 . ? 
O15 Zn2 O3 113.41(12) . 2_775 ? 
O15 Zn2 O5 116.45(12) . 2_675 ? 
O3 Zn2 O5 107.91(11) 2_775 2_675 ? 
O15 Zn2 N3 102.61(14) . . ? 
O3 Zn2 N3 112.96(13) 2_775 . ? 
O5 Zn2 N3 103.03(13) 2_675 . ? 
O1 Zn3 O14 105.08(12) . . ? 
O1 Zn3 N8 143.03(13) . 1_566 ? 
O14 Zn3 N8 109.83(12) . 1_566 ? 
O1 Zn3 O13 98.74(14) . . ? 
O14 Zn3 O13 95.80(13) . . ? 
N8 Zn3 O13 89.60(15) 1_566 . ? 
O1 Zn3 O9 89.37(12) . 2_776 ? 
O14 Zn3 O9 84.24(11) . 2_776 ? 
N8 Zn3 O9 82.47(12) 1_566 2_776 ? 
O13 Zn3 O9 171.56(12) . 2_776 ? 
O15 Zn4 O11 110.90(13) . . ? 
O15 Zn4 N7 110.57(13) . . ? 
O11 Zn4 N7 135.03(13) . . ? 
O15 Zn4 O16 97.89(13) . . ? 
O11 Zn4 O16 94.46(15) . . ? 
N7 Zn4 O16 96.40(16) . . ? 
O15 Zn4 O4 84.06(11) . 2_775 ? 
O11 Zn4 O4 86.10(12) . 2_775 ? 
N7 Zn4 O4 81.60(13) . 2_775 ? 
O16 Zn4 O4 177.61(12) . 2_775 ? 
C12 O7 Zn1 113.8(3) . 2_876 ? 
C20 O11 Zn4 116.2(3) . . ? 
C1 O1 Zn3 110.5(2) . . ? 
C8 O5 Zn2 108.8(3) . 2_675 ? 
Zn1 O14 Zn3 117.77(14) . . ? 
C9 O3 Zn2 108.9(2) . 2_775 ? 
C19 O9 Zn3 122.8(3) . 2_776 ? 
C19 O10 Zn1 108.1(2) . 2_776 ? 
C21 N6 C22 103.9(3) . . ? 
C21 N6 Zn1 125.1(3) . . ? 
C22 N6 Zn1 131.0(3) . . ? 
C10 N1 N2 110.3(3) . . ? 
C10 N1 C5 129.1(3) . . ? 
N2 N1 C5 120.4(3) . . ? 
Zn2 O15 Zn4 119.79(15) . . ? 
C10 N3 C11 104.1(3) . . ? 
C10 N3 Zn2 125.2(3) . . ? 
C11 N3 Zn2 130.2(3) . . ? 
C9 O4 Zn4 125.0(3) . 2_775 ? 
C21 N4 N5 110.1(3) . . ? 
C21 N4 C18 129.4(3) . . ? 
N5 N4 C18 120.5(3) . . ? 
C16 C15 C14 119.5(3) . . ? 
C16 C15 C20 120.0(3) . . ? 
C14 C15 C20 120.3(3) . . ? 
C11 N2 N1 102.8(3) . . ? 
O2 C1 O1 123.1(3) . . ? 
O2 C1 C2 120.3(3) . . ? 
O1 C1 C2 116.5(3) . . ? 
C23 N7 C27 116.7(4) . . ? 
C23 N7 Zn4 123.0(3) . . ? 
C27 N7 Zn4 119.9(3) . . ? 
C31 N8 C30 117.0(4) . . ? 
C31 N8 Zn3 123.8(3) . 1_544 ? 
C30 N8 Zn3 119.2(3) . 1_544 ? 
C15 C16 C17 121.3(3) . . ? 
C7 C6 C5 119.0(3) . . ? 
C7 C6 C8 119.0(3) . . ? 
C5 C6 C8 122.0(3) . . ? 
C4 C5 C6 121.5(3) . . ? 
C4 C5 N1 122.0(3) . . ? 
C6 C5 N1 116.4(3) . . ? 
C18 C17 C16 117.7(3) . . ? 
C18 C17 C19 124.3(3) . . ? 
C16 C17 C19 117.5(3) . . ? 
O8 C12 O7 124.9(4) . . ? 
O8 C12 C13 120.0(4) . . ? 
O7 C12 C13 115.1(4) . . ? 
C5 C4 C3 118.0(3) . . ? 
C5 C4 C9 123.7(3) . . ? 
C3 C4 C9 118.0(3) . . ? 
C22 N5 N4 102.5(3) . . ? 
C13 C14 C15 120.3(3) . . ? 
N3 C10 N1 108.9(4) . . ? 
O9 C19 O10 123.7(3) . . ? 
O9 C19 C17 119.9(3) . . ? 
O10 C19 C17 116.1(3) . . ? 
N2 C11 N3 113.9(4) . . ? 
C3 C2 C7 119.6(3) . . ? 
C3 C2 C1 119.9(3) . . ? 
C7 C2 C1 120.5(3) . . ? 
N6 C21 N4 109.6(4) . . ? 
C32 C28 C29 116.9(4) . . ? 
C32 C28 C25 122.3(4) . . ? 
C29 C28 C25 120.8(4) . . ? 
O12 C20 O11 124.8(4) . . ? 
O12 C20 C15 120.1(4) . . ? 
O11 C20 C15 115.1(3) . . ? 
C14 C13 C18 119.4(3) . . ? 
C14 C13 C12 117.9(3) . . ? 
C18 C13 C12 122.7(3) . . ? 
O6 C8 O5 124.3(4) . . ? 
O6 C8 C6 118.4(4) . . ? 
O5 C8 C6 117.3(4) . . ? 
C2 C7 C6 120.6(3) . . ? 
C2 C3 C4 121.2(3) . . ? 
C28 C32 C31 120.3(4) . . ? 
N5 C22 N6 114.0(4) . . ? 
C26 C25 C24 116.9(4) . . ? 
C26 C25 C28 122.0(4) . . ? 
C24 C25 C28 121.1(4) . . ? 
O4 C9 O3 124.0(3) . . ? 
O4 C9 C4 120.2(3) . . ? 
O3 C9 C4 115.6(3) . . ? 
N7 C23 C24 123.2(4) . . ? 
C13 C18 C17 121.5(3) . . ? 
C13 C18 N4 117.7(3) . . ? 
C17 C18 N4 120.8(3) . . ? 
C27 C26 C25 120.7(4) . . ? 
N8 C31 C32 123.3(4) . . ? 
C25 C24 C23 119.7(4) . . ? 
N7 C27 C26 122.7(4) . . ? 
C30 C29 C28 119.1(4) . . ? 
N8 C30 C29 123.4(4) . . ? 
 
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 
O15 Zn4 O11 C20 -173.9(3) . . . . ? 
N7 Zn4 O11 C20 -17.8(4) . . . . ? 
O16 Zn4 O11 C20 85.9(3) . . . . ? 
O4 Zn4 O11 C20 -91.8(3) 2_775 . . . ? 
O14 Zn3 O1 C1 177.1(3) . . . . ? 
N8 Zn3 O1 C1 16.7(4) 1_566 . . . ? 
O13 Zn3 O1 C1 -84.4(3) . . . . ? 
O9 Zn3 O1 C1 93.2(3) 2_776 . . . ? 
O7 Zn1 O14 Zn3 -162.39(13) 2_876 . . . ? 
O10 Zn1 O14 Zn3 -42.03(19) 2_776 . . . ? 
N6 Zn1 O14 Zn3 85.22(16) . . . . ? 
O1 Zn3 O14 Zn1 -86.84(17) . . . . ? 
N8 Zn3 O14 Zn1 80.79(18) 1_566 . . . ? 
O13 Zn3 O14 Zn1 172.46(16) . . . . ? 
O9 Zn3 O14 Zn1 0.95(14) 2_776 . . . ? 
O14 Zn1 N6 C21 -30.3(3) . . . . ? 
O7 Zn1 N6 C21 -148.5(3) 2_876 . . . ? 
O10 Zn1 N6 C21 94.8(3) 2_776 . . . ? 
O14 Zn1 N6 C22 145.9(4) . . . . ? 
O7 Zn1 N6 C22 27.8(4) 2_876 . . . ? 
O10 Zn1 N6 C22 -89.0(4) 2_776 . . . ? 
O3 Zn2 O15 Zn4 38.7(2) 2_775 . . . ? 
O5 Zn2 O15 Zn4 164.87(15) 2_675 . . . ? 
N3 Zn2 O15 Zn4 -83.45(18) . . . . ? 
O11 Zn4 O15 Zn2 83.71(19) . . . . ? 
N7 Zn4 O15 Zn2 -78.5(2) . . . . ? 
O16 Zn4 O15 Zn2 -178.42(18) . . . . ? 
O4 Zn4 O15 Zn2 0.19(16) 2_775 . . . ? 
O15 Zn2 N3 C10 29.3(3) . . . . ? 
O3 Zn2 N3 C10 -93.1(3) 2_775 . . . ? 
O5 Zn2 N3 C10 150.7(3) 2_675 . . . ? 
O15 Zn2 N3 C11 -141.3(3) . . . . ? 
O3 Zn2 N3 C11 96.2(4) 2_775 . . . ? 
O5 Zn2 N3 C11 -20.0(4) 2_675 . . . ? 
C10 N1 N2 C11 0.3(4) . . . . ? 
C5 N1 N2 C11 -174.9(3) . . . . ? 
Zn3 O1 C1 O2 -5.0(6) . . . . ? 
Zn3 O1 C1 C2 173.9(3) . . . . ? 
O15 Zn4 N7 C23 155.5(4) . . . . ? 
O11 Zn4 N7 C23 -0.7(5) . . . . ? 
O16 Zn4 N7 C23 -103.6(4) . . . . ? 
O4 Zn4 N7 C23 75.1(4) 2_775 . . . ? 
O15 Zn4 N7 C27 -16.8(5) . . . . ? 
O11 Zn4 N7 C27 -173.0(4) . . . . ? 
O16 Zn4 N7 C27 84.2(4) . . . . ? 
O4 Zn4 N7 C27 -97.1(4) 2_775 . . . ? 
C14 C15 C16 C17 -3.2(6) . . . . ? 
C20 C15 C16 C17 171.5(4) . . . . ? 
C7 C6 C5 C4 2.0(6) . . . . ? 
C8 C6 C5 C4 -179.2(4) . . . . ? 
C7 C6 C5 N1 -175.6(4) . . . . ? 
C8 C6 C5 N1 3.3(6) . . . . ? 
C10 N1 C5 C4 58.7(6) . . . . ? 
N2 N1 C5 C4 -127.2(4) . . . . ? 
C10 N1 C5 C6 -123.8(4) . . . . ? 
N2 N1 C5 C6 50.4(5) . . . . ? 
C15 C16 C17 C18 5.8(6) . . . . ? 
C15 C16 C17 C19 -166.5(4) . . . . ? 
Zn1 O7 C12 O8 -16.8(5) 2_876 . . . ? 
Zn1 O7 C12 C13 164.8(2) 2_876 . . . ? 
C6 C5 C4 C3 1.9(6) . . . . ? 
N1 C5 C4 C3 179.3(4) . . . . ? 
C6 C5 C4 C9 -171.3(4) . . . . ? 
N1 C5 C4 C9 6.1(6) . . . . ? 
C21 N4 N5 C22 -0.2(4) . . . . ? 
C18 N4 N5 C22 178.4(3) . . . . ? 
C16 C15 C14 C13 -2.4(6) . . . . ? 
C20 C15 C14 C13 -177.1(4) . . . . ? 
C11 N3 C10 N1 -0.2(4) . . . . ? 
Zn2 N3 C10 N1 -172.9(2) . . . . ? 
N2 N1 C10 N3 -0.1(4) . . . . ? 
C5 N1 C10 N3 174.6(3) . . . . ? 
Zn3 O9 C19 O10 73.0(5) 2_776 . . . ? 
Zn3 O9 C19 C17 -101.7(4) 2_776 . . . ? 
Zn1 O10 C19 O9 -7.4(5) 2_776 . . . ? 
Zn1 O10 C19 C17 167.5(3) 2_776 . . . ? 
C18 C17 C19 O9 -17.2(6) . . . . ? 
C16 C17 C19 O9 154.5(4) . . . . ? 
C18 C17 C19 O10 167.7(4) . . . . ? 
C16 C17 C19 O10 -20.6(6) . . . . ? 
N1 N2 C11 N3 -0.4(5) . . . . ? 
C10 N3 C11 N2 0.4(5) . . . . ? 
Zn2 N3 C11 N2 172.6(3) . . . . ? 
O2 C1 C2 C3 161.7(4) . . . . ? 
O1 C1 C2 C3 -17.2(6) . . . . ? 
O2 C1 C2 C7 -15.2(6) . . . . ? 
O1 C1 C2 C7 165.8(4) . . . . ? 
C22 N6 C21 N4 -0.3(4) . . . . ? 
Zn1 N6 C21 N4 176.8(2) . . . . ? 
N5 N4 C21 N6 0.3(4) . . . . ? 
C18 N4 C21 N6 -178.1(3) . . . . ? 
Zn4 O11 C20 O12 9.8(6) . . . . ? 
Zn4 O11 C20 C15 -168.1(3) . . . . ? 
C16 C15 C20 O12 -164.1(4) . . . . ? 
C14 C15 C20 O12 10.5(6) . . . . ? 
C16 C15 C20 O11 13.9(6) . . . . ? 
C14 C15 C20 O11 -171.4(4) . . . . ? 
C15 C14 C13 C18 5.3(6) . . . . ? 
C15 C14 C13 C12 -175.6(4) . . . . ? 
O8 C12 C13 C14 -51.7(6) . . . . ? 
O7 C12 C13 C14 126.9(4) . . . . ? 
O8 C12 C13 C18 127.4(5) . . . . ? 
O7 C12 C13 C18 -54.1(6) . . . . ? 
Zn2 O5 C8 O6 15.9(5) 2_675 . . . ? 
Zn2 O5 C8 C6 -164.6(3) 2_675 . . . ? 
C7 C6 C8 O6 50.4(6) . . . . ? 
C5 C6 C8 O6 -128.5(5) . . . . ? 
C7 C6 C8 O5 -129.1(4) . . . . ? 
C5 C6 C8 O5 52.0(6) . . . . ? 
C3 C2 C7 C6 1.8(7) . . . . ? 
C1 C2 C7 C6 178.8(4) . . . . ? 
C5 C6 C7 C2 -3.9(6) . . . . ? 
C8 C6 C7 C2 177.2(4) . . . . ? 
C7 C2 C3 C4 2.2(7) . . . . ? 
C1 C2 C3 C4 -174.8(4) . . . . ? 
C5 C4 C3 C2 -4.0(6) . . . . ? 
C9 C4 C3 C2 169.6(4) . . . . ? 
C29 C28 C32 C31 -0.7(8) . . . . ? 
C25 C28 C32 C31 -179.8(5) . . . . ? 
N4 N5 C22 N6 0.0(5) . . . . ? 
C21 N6 C22 N5 0.1(5) . . . . ? 
Zn1 N6 C22 N5 -176.7(3) . . . . ? 
C32 C28 C25 C26 19.0(8) . . . . ? 
C29 C28 C25 C26 -160.0(5) . . . . ? 
C32 C28 C25 C24 -159.2(5) . . . . ? 
C29 C28 C25 C24 21.8(7) . . . . ? 
Zn4 O4 C9 O3 -67.5(5) 2_775 . . . ? 
Zn4 O4 C9 C4 108.8(4) 2_775 . . . ? 
Zn2 O3 C9 O4 4.6(5) 2_775 . . . ? 
Zn2 O3 C9 C4 -171.9(3) 2_775 . . . ? 
C5 C4 C9 O4 19.1(6) . . . . ? 
C3 C4 C9 O4 -154.1(4) . . . . ? 
C5 C4 C9 O3 -164.3(4) . . . . ? 
C3 C4 C9 O3 22.5(6) . . . . ? 
C27 N7 C23 C24 -0.9(9) . . . . ? 
Zn4 N7 C23 C24 -173.4(4) . . . . ? 
C14 C13 C18 C17 -2.6(6) . . . . ? 
C12 C13 C18 C17 178.3(4) . . . . ? 
C14 C13 C18 N4 175.6(4) . . . . ? 
C12 C13 C18 N4 -3.5(6) . . . . ? 
C16 C17 C18 C13 -2.8(6) . . . . ? 
C19 C17 C18 C13 168.8(4) . . . . ? 
C16 C17 C18 N4 179.1(4) . . . . ? 
C19 C17 C18 N4 -9.3(6) . . . . ? 
C21 N4 C18 C13 129.9(4) . . . . ? 
N5 N4 C18 C13 -48.4(5) . . . . ? 
C21 N4 C18 C17 -52.0(6) . . . . ? 
N5 N4 C18 C17 129.8(4) . . . . ? 
C24 C25 C26 C27 -1.5(10) . . . . ? 
C28 C25 C26 C27 -179.8(6) . . . . ? 
C30 N8 C31 C32 2.0(8) . . . . ? 
Zn3 N8 C31 C32 -179.3(4) 1_544 . . . ? 
C28 C32 C31 N8 -1.3(9) . . . . ? 
C26 C25 C24 C23 2.6(8) . . . . ? 
C28 C25 C24 C23 -179.1(5) . . . . ? 
N7 C23 C24 C25 -1.5(9) . . . . ? 
C23 N7 C27 C26 2.0(9) . . . . ? 
Zn4 N7 C27 C26 174.8(5) . . . . ? 
C25 C26 C27 N7 -0.8(11) . . . . ? 
C32 C28 C29 C30 1.9(8) . . . . ? 
C25 C28 C29 C30 -179.0(5) . . . . ? 
C31 N8 C30 C29 -0.7(7) . . . . ? 
Zn3 N8 C30 C29 -179.5(4) 1_544 . . . ? 
C28 C29 C30 N8 -1.2(8) . . . . ? 
 
_diffrn_measured_fraction_theta_max    0.998 
_diffrn_reflns_theta_full              25.01 
_diffrn_measured_fraction_theta_full   0.998 
_refine_diff_density_max    0.633 
_refine_diff_density_min   -0.515 
_refine_diff_density_rms    0.078 
