 
data_111 
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'C23 H21 N5 O11 Zn2' 
_chemical_formula_weight          674.19 
 
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                    9.2669(4) 
_cell_length_b                    9.8502(5) 
_cell_length_c                    14.0987(7) 
_cell_angle_alpha                 95.459(2) 
_cell_angle_beta                  102.736(2) 
_cell_angle_gamma                 96.328(2) 
_cell_volume                      1238.12(10) 
_cell_formula_units_Z             2 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     5874 
_cell_measurement_theta_min       2.374 
_cell_measurement_theta_max       27.445 
 
_exptl_crystal_description        block 
_exptl_crystal_colour             colorless 
_exptl_crystal_size_max           0.32 
_exptl_crystal_size_mid           0.19 
_exptl_crystal_size_min           0.11 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.808 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              684 
_exptl_absorpt_coefficient_mu     2.012 
_exptl_absorpt_correction_type    multi-scan 
_exptl_absorpt_correction_T_min   0.8421 
_exptl_absorpt_correction_T_max   0.9027 
_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             47174 
_diffrn_reflns_av_R_equivalents   0.0299 
_diffrn_reflns_av_sigmaI/netI     0.0139 
_diffrn_reflns_limit_h_min        -11 
_diffrn_reflns_limit_h_max        11 
_diffrn_reflns_limit_k_min        -11 
_diffrn_reflns_limit_k_max        11 
_diffrn_reflns_limit_l_min        -16 
_diffrn_reflns_limit_l_max        16 
_diffrn_reflns_theta_min          2.27 
_diffrn_reflns_theta_max          25.01 
_reflns_number_total              4352 
_reflns_number_gt                 3925 
_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)+(0.0345P)²+0.9387P] 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          4352 
_refine_ls_number_parameters      403 
_refine_ls_number_restraints      7 
_refine_ls_R_factor_all           0.0291 
_refine_ls_R_factor_gt            0.0243 
_refine_ls_wR_factor_ref          0.0651 
_refine_ls_wR_factor_gt           0.0629 
_refine_ls_goodness_of_fit_ref    1.088 
_refine_ls_restrained_S_all       1.089 
_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 0.34010(3) 0.21258(2) 0.592594(18) 0.01688(8) Uani 1 1 d . . . 
Zn2 Zn 0.59378(3) 0.45280(3) 0.746326(18) 0.02003(8) Uani 1 1 d . . . 
O9 O 0.49098(19) 0.26701(17) 0.70962(13) 0.0277(4) Uani 1 1 d D . . 
O3 O 0.22590(18) 1.02551(15) 0.56226(12) 0.0253(4) Uani 1 1 d . . . 
O6 O 0.21266(17) 0.36069(15) 0.57854(12) 0.0248(4) Uani 1 1 d . . . 
O1 O -0.25010(17) 0.49010(16) 0.67043(12) 0.0253(4) Uani 1 1 d . . . 
O5 O 0.41223(17) 0.51834(16) 0.64086(13) 0.0276(4) Uani 1 1 d . . . 
O4 O 0.1780(2) 1.06231(18) 0.70860(15) 0.0423(5) Uani 1 1 d . . . 
O2 O -0.2367(2) 0.70259(19) 0.73889(17) 0.0451(5) Uani 1 1 d . . . 
N1 N 0.35916(19) 0.77380(17) 0.58540(13) 0.0164(4) Uani 1 1 d . . . 
N3 N 0.5432(2) 0.79876(19) 0.51414(14) 0.0222(4) Uani 1 1 d . . . 
N4 N 0.5609(2) 0.5902(2) 0.86022(15) 0.0270(5) Uani 1 1 d . . . 
N5 N 0.7469(2) 0.3989(2) 0.87331(15) 0.0294(5) Uani 1 1 d . . . 
O11 O 0.1266(3) 0.9932(3) 0.8938(2) 0.0736(8) Uani 1 1 d G . . 
H11A H 0.1460 1.0263 0.8438 0.110 Uiso 1 1 d G . . 
H11B H 0.1720 1.0466 0.9452 0.110 Uiso 1 1 d G . . 
N2 N 0.4653(2) 0.8683(2) 0.64727(14) 0.0251(4) Uani 1 1 d . . . 
O7 O 0.5745(3) 1.0492(2) 0.82457(18) 0.0553(6) Uani 1 1 d D . . 
C16B C 0.713(6) 0.668(5) 1.112(4) 0.048(3) Uani 0.20(5) 1 d P A 2 
H16B H 0.7114 0.7387 1.1602 0.057 Uiso 0.20(5) 1 calc PR A 2 
O8 O 0.8247(3) 0.9147(3) 0.89319(19) 0.0586(6) Uani 1 1 d D . . 
C2 C -0.0500(2) 0.6539(2) 0.65586(15) 0.0160(4) Uani 1 1 d . . . 
C8 C 0.2756(2) 0.4822(2) 0.60822(16) 0.0174(4) Uani 1 1 d . . . 
C7 C 0.0337(2) 0.5545(2) 0.62887(15) 0.0151(4) Uani 1 1 d . . . 
H7 H -0.0038 0.4618 0.6233 0.018 Uiso 1 1 calc R . . 
C4 C 0.1348(2) 0.8325(2) 0.63277(16) 0.0179(4) Uani 1 1 d . . . 
C9 C 0.1841(2) 0.9852(2) 0.63646(18) 0.0217(5) Uani 1 1 d . . . 
C3 C 0.0027(2) 0.7917(2) 0.65941(16) 0.0193(5) Uani 1 1 d . . . 
H3 H -0.0514 0.8582 0.6800 0.023 Uiso 1 1 calc R . . 
C11 C 0.5736(2) 0.8796(2) 0.60149(18) 0.0249(5) Uani 1 1 d . . . 
H11 H 0.6630 0.9375 0.6265 0.030 Uiso 1 1 calc R . . 
C5 C 0.2194(2) 0.7317(2) 0.60870(15) 0.0151(4) Uani 1 1 d . . . 
C6 C 0.1734(2) 0.5920(2) 0.60999(15) 0.0150(4) Uani 1 1 d . . . 
C10 C 0.4072(2) 0.7341(2) 0.50666(17) 0.0212(5) Uani 1 1 d . . . 
H10 H 0.3536 0.6707 0.4542 0.025 Uiso 1 1 calc R . . 
C1 C -0.1903(2) 0.6145(2) 0.69038(16) 0.0193(5) Uani 1 1 d . . . 
C23 C 0.6479(3) 0.5805(3) 0.94985(18) 0.0301(6) Uani 1 1 d . A . 
O10 O 0.8725(4) 0.1432(4) 0.6346(3) 0.1036(11) Uani 1 1 d G . . 
H10A H 0.7936 0.1331 0.6560 0.155 Uiso 1 1 d G . . 
H10B H 0.8666 0.0806 0.5876 0.155 Uiso 1 1 d G . . 
C22 C 0.7447(3) 0.4767(3) 0.95733(18) 0.0303(6) Uani 1 1 d . A . 
C21 C 0.8330(3) 0.2997(3) 0.8783(2) 0.0410(7) Uani 1 1 d . A . 
H21 H 0.8361 0.2472 0.8205 0.049 Uiso 1 1 calc R . . 
C15 C 0.6450(3) 0.6670(3) 1.0343(2) 0.0418(7) Uani 1 1 d . . . 
C13 C 0.4627(4) 0.7776(3) 0.9336(3) 0.0532(9) Uani 1 1 d . . . 
H13 H 0.3989 0.8444 0.9258 0.064 Uiso 1 1 calc R A . 
C14 C 0.5487(4) 0.7668(3) 1.0233(3) 0.0542(9) Uani 1 1 d . A . 
H14 H 0.5433 0.8260 1.0775 0.065 Uiso 1 1 calc R . . 
C12 C 0.4714(3) 0.6860(3) 0.8527(2) 0.0400(7) Uani 1 1 d . A . 
H12 H 0.4118 0.6934 0.7915 0.048 Uiso 1 1 calc R . . 
C18 C 0.8319(3) 0.4574(3) 1.0491(2) 0.0446(8) Uani 1 1 d . . . 
C20 C 0.9190(4) 0.2709(3) 0.9664(3) 0.0539(9) Uani 1 1 d . . . 
H20 H 0.9760 0.1989 0.9675 0.065 Uiso 1 1 calc R A . 
C17B C 0.791(7) 0.572(5) 1.134(3) 0.047(3) Uani 0.20(5) 1 d P A 2 
H17B H 0.8270 0.5634 1.1995 0.057 Uiso 0.20(5) 1 calc PR A 2 
C19 C 0.9185(4) 0.3492(4) 1.0505(3) 0.0554(9) Uani 1 1 d . A . 
H19 H 0.9760 0.3312 1.1097 0.067 Uiso 1 1 calc R . . 
C17A C 0.832(2) 0.5440(15) 1.1330(6) 0.047(3) Uani 0.80(5) 1 d P A 1 
H17A H 0.8950 0.5332 1.1924 0.057 Uiso 0.80(5) 1 calc PR A 1 
C16A C 0.7433(19) 0.6434(16) 1.1291(10) 0.048(3) Uani 0.80(5) 1 d P A 1 
H16A H 0.7428 0.6985 1.1863 0.057 Uiso 0.80(5) 1 calc PR A 1 
H8A H 0.794(4) 0.844(3) 0.852(2) 0.080(14) Uiso 1 1 d D . . 
H8B H 0.909(3) 0.949(4) 0.888(3) 0.081(15) Uiso 1 1 d D . . 
H7A H 0.663(4) 1.020(6) 0.843(4) 0.18(3) Uiso 1 1 d D . . 
H7B H 0.521(5) 0.984(4) 0.779(3) 0.13(2) Uiso 1 1 d D . . 
H9 H 0.522(3) 0.212(2) 0.7426(19) 0.033(8) Uiso 1 1 d D . . 
 
 
_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 1.9011(17) . ? 
Zn1 O6 1.9733(15) . ? 
Zn1 O3 1.9795(15) 1_545 ? 
Zn1 N3 2.0393(18) 2_666 ? 
Zn2 O9 1.9345(16) . ? 
Zn2 O1 2.0033(15) 1_655 ? 
Zn2 N4 2.097(2) . ? 
Zn2 N5 2.174(2) . ? 
Zn2 O5 2.1858(16) . ? 
O3 C9 1.275(3) . ? 
O3 Zn1 1.9796(15) 1_565 ? 
O6 C8 1.262(3) . ? 
O1 C1 1.266(3) . ? 
O1 Zn2 2.0033(15) 1_455 ? 
O5 C8 1.247(3) . ? 
O4 C9 1.225(3) . ? 
O2 C1 1.227(3) . ? 
N1 C10 1.325(3) . ? 
N1 N2 1.364(3) . ? 
N1 C5 1.433(3) . ? 
N3 C10 1.326(3) . ? 
N3 C11 1.357(3) . ? 
N3 Zn1 2.0394(18) 2_666 ? 
N4 C12 1.320(3) . ? 
N4 C23 1.359(3) . ? 
N5 C21 1.325(3) . ? 
N5 C22 1.353(3) . ? 
N2 C11 1.308(3) . ? 
C16B C15 1.14(5) . ? 
C16B C17B 1.27(6) . ? 
C2 C3 1.383(3) . ? 
C2 C7 1.390(3) . ? 
C2 C1 1.510(3) . ? 
C8 C6 1.516(3) . ? 
C7 C6 1.395(3) . ? 
C4 C3 1.387(3) . ? 
C4 C5 1.392(3) . ? 
C4 C9 1.516(3) . ? 
C5 C6 1.398(3) . ? 
C23 C15 1.404(4) . ? 
C23 C22 1.430(4) . ? 
C22 C18 1.407(4) . ? 
C21 C20 1.393(4) . ? 
C15 C14 1.396(5) . ? 
C15 C16A 1.50(2) . ? 
C13 C14 1.359(5) . ? 
C13 C12 1.408(4) . ? 
C18 C17A 1.391(14) . ? 
C18 C19 1.402(5) . ? 
C18 C17B 1.70(6) . ? 
C20 C19 1.353(5) . ? 
C17A C16A 1.346(12) . ? 
 
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 O6 106.72(7) . . ? 
O9 Zn1 O3 122.08(7) . 1_545 ? 
O6 Zn1 O3 113.48(7) . 1_545 ? 
O9 Zn1 N3 103.61(8) . 2_666 ? 
O6 Zn1 N3 111.40(7) . 2_666 ? 
O3 Zn1 N3 98.63(7) 1_545 2_666 ? 
O9 Zn2 O1 111.09(7) . 1_655 ? 
O9 Zn2 N4 124.33(8) . . ? 
O1 Zn2 N4 124.32(7) 1_655 . ? 
O9 Zn2 N5 93.45(7) . . ? 
O1 Zn2 N5 95.05(7) 1_655 . ? 
N4 Zn2 N5 77.81(8) . . ? 
O9 Zn2 O5 87.45(7) . . ? 
O1 Zn2 O5 95.84(7) 1_655 . ? 
N4 Zn2 O5 91.75(7) . . ? 
N5 Zn2 O5 167.94(7) . . ? 
Zn1 O9 Zn2 123.11(9) . . ? 
C9 O3 Zn1 111.95(14) . 1_565 ? 
C8 O6 Zn1 117.14(14) . . ? 
C1 O1 Zn2 110.52(14) . 1_455 ? 
C8 O5 Zn2 137.26(14) . . ? 
C10 N1 N2 109.79(17) . . ? 
C10 N1 C5 129.01(18) . . ? 
N2 N1 C5 121.20(17) . . ? 
C10 N3 C11 103.83(18) . . ? 
C10 N3 Zn1 125.20(16) . 2_666 ? 
C11 N3 Zn1 130.65(15) . 2_666 ? 
C12 N4 C23 118.3(2) . . ? 
C12 N4 Zn2 127.14(19) . . ? 
C23 N4 Zn2 114.52(17) . . ? 
C21 N5 C22 118.5(2) . . ? 
C21 N5 Zn2 128.87(19) . . ? 
C22 N5 Zn2 112.60(17) . . ? 
C11 N2 N1 103.20(18) . . ? 
C15 C16B C17B 120(5) . . ? 
C3 C2 C7 119.48(19) . . ? 
C3 C2 C1 119.26(19) . . ? 
C7 C2 C1 121.02(19) . . ? 
O5 C8 O6 126.0(2) . . ? 
O5 C8 C6 117.62(19) . . ? 
O6 C8 C6 116.25(18) . . ? 
C2 C7 C6 120.83(19) . . ? 
C3 C4 C5 118.48(19) . . ? 
C3 C4 C9 118.29(19) . . ? 
C5 C4 C9 123.15(19) . . ? 
O4 C9 O3 124.2(2) . . ? 
O4 C9 C4 118.6(2) . . ? 
O3 C9 C4 117.21(19) . . ? 
C2 C3 C4 121.2(2) . . ? 
N2 C11 N3 113.7(2) . . ? 
C4 C5 C6 121.61(19) . . ? 
C4 C5 N1 118.67(18) . . ? 
C6 C5 N1 119.69(18) . . ? 
C7 C6 C5 118.03(18) . . ? 
C7 C6 C8 117.75(18) . . ? 
C5 C6 C8 123.48(18) . . ? 
N1 C10 N3 109.53(19) . . ? 
O2 C1 O1 123.7(2) . . ? 
O2 C1 C2 118.6(2) . . ? 
O1 C1 C2 117.56(19) . . ? 
N4 C23 C15 122.7(3) . . ? 
N4 C23 C22 117.9(2) . . ? 
C15 C23 C22 119.4(3) . . ? 
N5 C22 C18 122.5(3) . . ? 
N5 C22 C23 117.1(2) . . ? 
C18 C22 C23 120.4(3) . . ? 
N5 C21 C20 122.7(3) . . ? 
C16B C15 C14 115(3) . . ? 
C16B C15 C23 128(3) . . ? 
C14 C15 C23 117.2(3) . . ? 
C16B C15 C16A 11(3) . . ? 
C14 C15 C16A 125.3(7) . . ? 
C23 C15 C16A 117.5(6) . . ? 
C14 C13 C12 119.0(3) . . ? 
C13 C14 C15 120.2(3) . . ? 
N4 C12 C13 122.6(3) . . ? 
C17A C18 C19 122.4(8) . . ? 
C17A C18 C22 120.8(8) . . ? 
C19 C18 C22 116.8(3) . . ? 
C17A C18 C17B 14.8(16) . . ? 
C19 C18 C17B 136.2(19) . . ? 
C22 C18 C17B 107(2) . . ? 
C19 C20 C21 119.2(3) . . ? 
C16B C17B C18 124(4) . . ? 
C20 C19 C18 120.4(3) . . ? 
C16A C17A C18 120.6(7) . . ? 
C17A C16A C15 121.3(8) . . ? 
 
loop_ 
 _geom_torsion_atom_site_label_1 
 _geom_torsion_atom_site_label_2 
 _geom_torsion_atom_site_label_3 
 _geom_torsion_atom_site_label_4 
 _geom_torsion 
 _geom_torsion_site_symmetry_1 
 _geom_torsion_site_symmetry_2 
 _geom_torsion_site_symmetry_3 
 _geom_torsion_site_symmetry_4 
 _geom_torsion_publ_flag 
O6 Zn1 O9 Zn2 -42.27(12) . . . . ? 
O3 Zn1 O9 Zn2 -175.06(8) 1_545 . . . ? 
N3 Zn1 O9 Zn2 75.43(12) 2_666 . . . ? 
O1 Zn2 O9 Zn1 -77.67(12) 1_655 . . . ? 
N4 Zn2 O9 Zn1 107.99(12) . . . . ? 
N5 Zn2 O9 Zn1 -174.43(11) . . . . ? 
O5 Zn2 O9 Zn1 17.61(11) . . . . ? 
O9 Zn1 O6 C8 34.07(18) . . . . ? 
O3 Zn1 O6 C8 171.39(15) 1_545 . . . ? 
N3 Zn1 O6 C8 -78.37(17) 2_666 . . . ? 
O9 Zn2 O5 C8 32.1(2) . . . . ? 
O1 Zn2 O5 C8 143.0(2) 1_655 . . . ? 
N4 Zn2 O5 C8 -92.2(2) . . . . ? 
N5 Zn2 O5 C8 -62.5(4) . . . . ? 
O9 Zn2 N4 C12 -95.8(2) . . . . ? 
O1 Zn2 N4 C12 90.6(2) 1_655 . . . ? 
N5 Zn2 N4 C12 178.4(2) . . . . ? 
O5 Zn2 N4 C12 -7.7(2) . . . . ? 
O9 Zn2 N4 C23 87.31(17) . . . . ? 
O1 Zn2 N4 C23 -86.30(17) 1_655 . . . ? 
N5 Zn2 N4 C23 1.50(16) . . . . ? 
O5 Zn2 N4 C23 175.42(16) . . . . ? 
O9 Zn2 N5 C21 52.3(2) . . . . ? 
O1 Zn2 N5 C21 -59.2(2) 1_655 . . . ? 
N4 Zn2 N5 C21 176.7(2) . . . . ? 
O5 Zn2 N5 C21 146.3(3) . . . . ? 
O9 Zn2 N5 C22 -124.54(16) . . . . ? 
O1 Zn2 N5 C22 123.92(16) 1_655 . . . ? 
N4 Zn2 N5 C22 -0.14(16) . . . . ? 
O5 Zn2 N5 C22 -30.6(4) . . . . ? 
C10 N1 N2 C11 -0.4(2) . . . . ? 
C5 N1 N2 C11 -179.83(19) . . . . ? 
Zn2 O5 C8 O6 -47.1(4) . . . . ? 
Zn2 O5 C8 C6 128.65(19) . . . . ? 
Zn1 O6 C8 O5 4.1(3) . . . . ? 
Zn1 O6 C8 C6 -171.73(14) . . . . ? 
C3 C2 C7 C6 3.1(3) . . . . ? 
C1 C2 C7 C6 -171.12(19) . . . . ? 
Zn1 O3 C9 O4 18.6(3) 1_565 . . . ? 
Zn1 O3 C9 C4 -163.33(15) 1_565 . . . ? 
C3 C4 C9 O4 45.4(3) . . . . ? 
C5 C4 C9 O4 -131.3(2) . . . . ? 
C3 C4 C9 O3 -132.8(2) . . . . ? 
C5 C4 C9 O3 50.5(3) . . . . ? 
C7 C2 C3 C4 2.6(3) . . . . ? 
C1 C2 C3 C4 177.0(2) . . . . ? 
C5 C4 C3 C2 -4.4(3) . . . . ? 
C9 C4 C3 C2 178.7(2) . . . . ? 
N1 N2 C11 N3 0.3(3) . . . . ? 
C10 N3 C11 N2 0.0(3) . . . . ? 
Zn1 N3 C11 N2 173.55(16) 2_666 . . . ? 
C3 C4 C5 C6 0.6(3) . . . . ? 
C9 C4 C5 C6 177.3(2) . . . . ? 
C3 C4 C5 N1 -177.24(19) . . . . ? 
C9 C4 C5 N1 -0.6(3) . . . . ? 
C10 N1 C5 C4 -126.4(2) . . . . ? 
N2 N1 C5 C4 53.0(3) . . . . ? 
C10 N1 C5 C6 55.7(3) . . . . ? 
N2 N1 C5 C6 -124.9(2) . . . . ? 
C2 C7 C6 C5 -6.7(3) . . . . ? 
C2 C7 C6 C8 163.75(19) . . . . ? 
C4 C5 C6 C7 4.9(3) . . . . ? 
N1 C5 C6 C7 -177.30(18) . . . . ? 
C4 C5 C6 C8 -165.0(2) . . . . ? 
N1 C5 C6 C8 12.8(3) . . . . ? 
O5 C8 C6 C7 -144.1(2) . . . . ? 
O6 C8 C6 C7 32.0(3) . . . . ? 
O5 C8 C6 C5 25.8(3) . . . . ? 
O6 C8 C6 C5 -158.0(2) . . . . ? 
N2 N1 C10 N3 0.4(3) . . . . ? 
C5 N1 C10 N3 179.8(2) . . . . ? 
C11 N3 C10 N1 -0.2(3) . . . . ? 
Zn1 N3 C10 N1 -174.27(14) 2_666 . . . ? 
Zn2 O1 C1 O2 -9.2(3) 1_455 . . . ? 
Zn2 O1 C1 C2 168.01(15) 1_455 . . . ? 
C3 C2 C1 O2 -14.8(3) . . . . ? 
C7 C2 C1 O2 159.4(2) . . . . ? 
C3 C2 C1 O1 167.8(2) . . . . ? 
C7 C2 C1 O1 -17.9(3) . . . . ? 
C12 N4 C23 C15 0.7(3) . . . . ? 
Zn2 N4 C23 C15 177.88(18) . . . . ? 
C12 N4 C23 C22 -179.8(2) . . . . ? 
Zn2 N4 C23 C22 -2.7(3) . . . . ? 
C21 N5 C22 C18 1.0(4) . . . . ? 
Zn2 N5 C22 C18 178.24(19) . . . . ? 
C21 N5 C22 C23 -178.4(2) . . . . ? 
Zn2 N5 C22 C23 -1.2(3) . . . . ? 
N4 C23 C22 N5 2.6(3) . . . . ? 
C15 C23 C22 N5 -177.9(2) . . . . ? 
N4 C23 C22 C18 -176.8(2) . . . . ? 
C15 C23 C22 C18 2.6(4) . . . . ? 
C22 N5 C21 C20 1.1(4) . . . . ? 
Zn2 N5 C21 C20 -175.6(2) . . . . ? 
C17B C16B C15 C14 171(5) . . . . ? 
C17B C16B C15 C23 -9(7) . . . . ? 
C17B C16B C15 C16A -1(11) . . . . ? 
N4 C23 C15 C16B -180(3) . . . . ? 
C22 C23 C15 C16B 1(3) . . . . ? 
N4 C23 C15 C14 -0.5(4) . . . . ? 
C22 C23 C15 C14 -180.0(2) . . . . ? 
N4 C23 C15 C16A 178.4(5) . . . . ? 
C22 C23 C15 C16A -1.0(5) . . . . ? 
C12 C13 C14 C15 0.6(4) . . . . ? 
C16B C15 C14 C13 179(3) . . . . ? 
C23 C15 C14 C13 -0.1(4) . . . . ? 
C16A C15 C14 C13 -179.0(5) . . . . ? 
C23 N4 C12 C13 -0.2(4) . . . . ? 
Zn2 N4 C12 C13 -177.0(2) . . . . ? 
C14 C13 C12 N4 -0.4(4) . . . . ? 
N5 C22 C18 C17A 176.6(6) . . . . ? 
C23 C22 C18 C17A -4.0(6) . . . . ? 
N5 C22 C18 C19 -2.3(4) . . . . ? 
C23 C22 C18 C19 177.1(2) . . . . ? 
N5 C22 C18 C17B -178.1(17) . . . . ? 
C23 C22 C18 C17B 1.4(17) . . . . ? 
N5 C21 C20 C19 -1.8(5) . . . . ? 
C15 C16B C17B C18 14(9) . . . . ? 
C17A C18 C17B C16B 152(11) . . . . ? 
C19 C18 C17B C16B 176(4) . . . . ? 
C22 C18 C17B C16B -10(6) . . . . ? 
C21 C20 C19 C18 0.4(5) . . . . ? 
C17A C18 C19 C20 -177.3(6) . . . . ? 
C22 C18 C19 C20 1.5(4) . . . . ? 
C17B C18 C19 C20 176(2) . . . . ? 
C19 C18 C17A C16A -177.5(8) . . . . ? 
C22 C18 C17A C16A 3.7(12) . . . . ? 
C17B C18 C17A C16A -17(7) . . . . ? 
C18 C17A C16A C15 -2.1(15) . . . . ? 
C16B C15 C16A C17A -172(16) . . . . ? 
C14 C15 C16A C17A 179.6(8) . . . . ? 
C23 C15 C16A C17A 0.8(12) . . . . ? 
 
_diffrn_measured_fraction_theta_max    1.000 
_diffrn_reflns_theta_full              25.01 
_diffrn_measured_fraction_theta_full   1.000 
_refine_diff_density_max    0.335 
_refine_diff_density_min   -0.393 
_refine_diff_density_rms    0.070 
