data_global _journal_name_full Chem.Commun. _journal_coden_Cambridge 0182 _publ_contact_author_name 'Prof Enbo Wang' _publ_contact_author_address ; Department of Chemistry, Northeast Normal University Changchun 130024 CHINA ; _publ_contact_author_email WANGENBO@PUBLIC.CC.JL.CN _publ_section_title ; An unprecedented eight-connected self-penetrating network based on pentanuclear zinc clusters as building blocks ; loop_ _publ_author_name 'Enbo Wang' 'S. Batten' 'Chao Qin' 'Zhongmin Su' 'Xinlong Wang' 'Lin Xu' data_www _database_code_depnum_ccdc_archive 'CCDC 267795' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C56 H34 N4 O18 Zn5' _chemical_formula_weight 1377.72 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_Hall '-P 1' _symmetry_space_group_name_H-M 'P -1' _symmetry_Int_Tables_number 2 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 11.225(2) _cell_length_b 11.237(2) _cell_length_c 12.435(3) _cell_angle_alpha 95.87(3) _cell_angle_beta 103.14(3) _cell_angle_gamma 118.47(3) _cell_volume 1301.4(4) _cell_formula_units_Z 1 _cell_measurement_temperature 283(2) _cell_measurement_reflns_used 12847 _cell_measurement_theta_min 3.06 _cell_measurement_theta_max 27.48 _exptl_crystal_description block _exptl_crystal_colour colorless _exptl_crystal_size_max 0.33 _exptl_crystal_size_mid 0.25 _exptl_crystal_size_min 0.22 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.758 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 692 _exptl_absorpt_coefficient_mu 2.354 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.499 _exptl_absorpt_correction_T_max 0.596 _exptl_absorpt_process_details 'ABSCOR by T.Higashi 8 March, 1995' _exptl_special_details ; ? ; _diffrn_ambient_temperature 283(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'Rotation anode' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Rigaku RAXIS RAPID IP' _diffrn_measurement_method Oscillation _diffrn_detector_area_resol_mean 0.01 _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 12847 _diffrn_reflns_av_R_equivalents 0.0345 _diffrn_reflns_av_sigmaI/netI 0.0473 _diffrn_reflns_limit_h_min -14 _diffrn_reflns_limit_h_max 14 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_k_max 14 _diffrn_reflns_limit_l_min -16 _diffrn_reflns_limit_l_max 15 _diffrn_reflns_theta_min 3.06 _diffrn_reflns_theta_max 27.48 _reflns_number_total 5895 _reflns_number_gt 4362 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'RAPID AUTO' _computing_cell_refinement 'RAPID AUTO' _computing_data_reduction 'RAPID AUTO' _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^)+(0.0509P)^2^+0.2599P] 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 none _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 5895 _refine_ls_number_parameters 377 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0619 _refine_ls_R_factor_gt 0.0397 _refine_ls_wR_factor_ref 0.0978 _refine_ls_wR_factor_gt 0.0889 _refine_ls_goodness_of_fit_ref 1.020 _refine_ls_restrained_S_all 1.020 _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 0.19441(4) 0.21244(4) 0.26802(3) 0.02698(10) Uani 1 1 d . . . Zn2 Zn 0.0000 0.0000 0.0000 0.03020(14) Uani 1 2 d S . . Zn3 Zn -0.15493(4) 0.02981(4) 0.19290(4) 0.03148(11) Uani 1 1 d . . . C1 C -0.4251(4) 0.0533(5) 0.1415(3) 0.0470(9) Uani 1 1 d . . . H1A H -0.3743 0.1307 0.1148 0.056 Uiso 1 1 calc R . . C2 C -0.5639(5) 0.0146(5) 0.1409(4) 0.0569(12) Uani 1 1 d . . . H2A H -0.6045 0.0655 0.1139 0.068 Uiso 1 1 calc R . . C3 C -0.6385(4) -0.0980(5) 0.1801(4) 0.0556(12) Uani 1 1 d . . . H3A H -0.7314 -0.1254 0.1786 0.067 Uiso 1 1 calc R . . C4 C -0.5768(4) -0.1729(4) 0.2226(3) 0.0448(10) Uani 1 1 d . . . C5 C -0.6467(5) -0.2923(5) 0.2673(4) 0.0595(13) Uani 1 1 d . . . H5A H -0.7394 -0.3235 0.2682 0.071 Uiso 1 1 calc R . . C6 C -0.5822(5) -0.3595(5) 0.3075(4) 0.0588(13) Uani 1 1 d . . . H6A H -0.6301 -0.4357 0.3365 0.071 Uiso 1 1 calc R . . C7 C -0.4391(4) -0.3157(4) 0.3065(3) 0.0476(10) Uani 1 1 d . . . C8 C -0.3689(6) -0.3849(5) 0.3411(4) 0.0657(13) Uani 1 1 d . . . H8A H -0.4125 -0.4627 0.3696 0.079 Uiso 1 1 calc R . . C9 C -0.2354(6) -0.3386(5) 0.3333(5) 0.0726(15) Uani 1 1 d . . . H9A H -0.1884 -0.3858 0.3553 0.087 Uiso 1 1 calc R . . C10 C -0.1697(5) -0.2206(5) 0.2923(4) 0.0549(11) Uani 1 1 d . . . H10A H -0.0775 -0.1889 0.2895 0.066 Uiso 1 1 calc R . . C11 C -0.3678(4) -0.1993(3) 0.2623(3) 0.0343(8) Uani 1 1 d . . . C12 C -0.4369(4) -0.1272(4) 0.2204(3) 0.0350(8) Uani 1 1 d . . . C13 C -0.1159(4) 0.3711(4) 0.4383(3) 0.0369(8) Uani 1 1 d . . . H13A H -0.1943 0.2846 0.3961 0.044 Uiso 1 1 calc R . . C14 C 0.1358(4) 0.5338(4) 0.4989(3) 0.0381(8) Uani 1 1 d . . . H14A H 0.2271 0.5578 0.4980 0.046 Uiso 1 1 calc R . . C15 C 0.0208(3) 0.4045(3) 0.4382(3) 0.0291(7) Uani 1 1 d . . . C16 C 0.0385(4) 0.2960(3) 0.3745(3) 0.0302(7) Uani 1 1 d . . . C17 C 0.3950(4) 0.5125(4) 0.0307(3) 0.0371(8) Uani 1 1 d . . . H17A H 0.3245 0.5213 0.0515 0.044 Uiso 1 1 calc R . . C18 C 0.3997(3) 0.3917(3) 0.0336(3) 0.0281(7) Uani 1 1 d . . . C19 C 0.5056(4) 0.3801(4) 0.0030(3) 0.0355(8) Uani 1 1 d . . . H19A H 0.5098 0.2997 0.0052 0.043 Uiso 1 1 calc R . . C20 C 0.2953(3) 0.2780(3) 0.0758(3) 0.0310(7) Uani 1 1 d . . . C21 C 0.5450(4) 0.1151(4) 0.4553(3) 0.0436(9) Uani 1 1 d . . . H21A H 0.5762 0.1927 0.4246 0.052 Uiso 1 1 calc R . . C22 C 0.4027(4) 0.0340(4) 0.4444(3) 0.0361(8) Uani 1 1 d . . . C23 C 0.3575(4) -0.0815(4) 0.4881(4) 0.0482(10) Uani 1 1 d . . . H23A H 0.2611 -0.1377 0.4798 0.058 Uiso 1 1 calc R . . C24 C 0.2934(4) 0.0623(4) 0.3762(3) 0.0416(9) Uani 1 1 d . . . C25 C 0.0541(4) -0.4558(4) -0.0867(3) 0.0361(8) Uani 1 1 d . . . H25A H 0.0903 -0.4265 -0.1455 0.043 Uiso 1 1 calc R . . C26 C 0.0319(3) -0.3692(3) -0.0172(3) 0.0274(7) Uani 1 1 d . . . C27 C -0.0230(4) -0.4149(4) 0.0692(3) 0.0377(8) Uani 1 1 d . . . H27A H -0.0391 -0.3578 0.1160 0.045 Uiso 1 1 calc R . . C28 C 0.0643(3) -0.2281(3) -0.0374(3) 0.0291(7) Uani 1 1 d . . . N1 N -0.3641(3) -0.0166(3) 0.1788(2) 0.0347(6) Uani 1 1 d . . . N2 N -0.2334(3) -0.1517(3) 0.2570(3) 0.0342(6) Uani 1 1 d . . . O1 O -0.0633(3) 0.1731(2) 0.3462(2) 0.0407(6) Uani 1 1 d . . . O2 O 0.1567(3) 0.3383(2) 0.3563(2) 0.0383(6) Uani 1 1 d . . . O3 O 0.2759(3) 0.3221(3) 0.1646(2) 0.0430(6) Uani 1 1 d . . . O4 O 0.2364(2) 0.1526(2) 0.0251(2) 0.0359(6) Uani 1 1 d . . . O5 O 0.3391(3) 0.1840(3) 0.3611(2) 0.0512(7) Uani 1 1 d . . . O6 O 0.1677(3) -0.0361(4) 0.3345(3) 0.0795(12) Uani 1 1 d . . . O7 O 0.1247(3) -0.1875(3) -0.1112(2) 0.0397(6) Uani 1 1 d . . . O8 O 0.0306(3) -0.1609(2) 0.0231(2) 0.0348(5) Uani 1 1 d . . . O9 O 0.0200(2) 0.0379(2) 0.17067(17) 0.0247(4) Uani 1 1 d . . . H1 H 0.0361 -0.0250 0.1919 0.040(11) Uiso 1 1 d R . . 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 0.0262(2) 0.0260(2) 0.0326(2) 0.00844(15) 0.01314(16) 0.01450(16) Zn2 0.0485(3) 0.0218(3) 0.0321(3) 0.0090(2) 0.0164(3) 0.0250(3) Zn3 0.0272(2) 0.0246(2) 0.0513(2) 0.01805(17) 0.01916(18) 0.01537(17) C1 0.050(2) 0.055(3) 0.051(2) 0.0175(19) 0.0166(19) 0.037(2) C2 0.052(3) 0.080(3) 0.057(3) 0.013(2) 0.013(2) 0.050(3) C3 0.032(2) 0.077(3) 0.051(2) -0.005(2) 0.0063(18) 0.029(2) C4 0.031(2) 0.047(2) 0.043(2) -0.0045(17) 0.0100(17) 0.0136(18) C5 0.036(2) 0.056(3) 0.065(3) 0.005(2) 0.027(2) 0.005(2) C6 0.053(3) 0.043(2) 0.063(3) 0.015(2) 0.035(2) 0.005(2) C7 0.049(2) 0.036(2) 0.045(2) 0.0144(17) 0.0226(19) 0.0090(19) C8 0.076(3) 0.047(3) 0.077(3) 0.041(2) 0.034(3) 0.026(3) C9 0.069(3) 0.062(3) 0.101(4) 0.056(3) 0.027(3) 0.038(3) C10 0.046(2) 0.050(3) 0.080(3) 0.036(2) 0.019(2) 0.029(2) C11 0.0357(19) 0.0264(17) 0.0342(17) 0.0083(13) 0.0160(15) 0.0088(15) C12 0.0300(18) 0.0343(19) 0.0350(18) 0.0051(14) 0.0137(15) 0.0115(16) C13 0.0316(19) 0.0231(16) 0.048(2) -0.0007(14) 0.0146(16) 0.0095(15) C14 0.0297(18) 0.0354(19) 0.053(2) 0.0072(16) 0.0195(16) 0.0179(16) C15 0.0312(17) 0.0264(16) 0.0332(16) 0.0075(13) 0.0138(14) 0.0159(14) C16 0.0368(19) 0.0244(16) 0.0340(17) 0.0070(13) 0.0165(15) 0.0170(15) C17 0.039(2) 0.0324(19) 0.049(2) 0.0151(15) 0.0260(17) 0.0190(16) C18 0.0286(17) 0.0224(16) 0.0274(15) 0.0057(12) 0.0131(13) 0.0070(13) C19 0.044(2) 0.0248(17) 0.045(2) 0.0151(14) 0.0235(17) 0.0176(16) C20 0.0286(17) 0.0285(17) 0.0392(18) 0.0161(14) 0.0144(15) 0.0140(15) C21 0.036(2) 0.040(2) 0.053(2) 0.0217(18) 0.0086(18) 0.0188(18) C22 0.0329(19) 0.042(2) 0.0370(18) 0.0101(15) 0.0077(15) 0.0235(17) C23 0.027(2) 0.053(3) 0.062(2) 0.026(2) 0.0117(18) 0.0165(19) C24 0.038(2) 0.056(3) 0.043(2) 0.0215(18) 0.0141(17) 0.031(2) C25 0.054(2) 0.0311(18) 0.0442(19) 0.0213(15) 0.0315(18) 0.0281(17) C26 0.0323(18) 0.0192(15) 0.0384(17) 0.0126(13) 0.0126(14) 0.0173(14) C27 0.053(2) 0.0266(18) 0.050(2) 0.0133(15) 0.0269(18) 0.0277(17) C28 0.0280(17) 0.0208(16) 0.0430(18) 0.0123(13) 0.0111(15) 0.0153(14) N1 0.0321(16) 0.0348(16) 0.0414(16) 0.0109(13) 0.0124(13) 0.0197(14) N2 0.0294(15) 0.0291(15) 0.0452(17) 0.0157(13) 0.0137(13) 0.0140(13) O1 0.0464(15) 0.0258(13) 0.0508(15) 0.0055(11) 0.0255(13) 0.0156(12) O2 0.0372(14) 0.0312(13) 0.0501(15) 0.0038(11) 0.0217(12) 0.0182(12) O3 0.0501(16) 0.0331(14) 0.0457(15) 0.0165(11) 0.0297(13) 0.0137(12) O4 0.0340(14) 0.0257(13) 0.0502(14) 0.0111(10) 0.0196(11) 0.0139(11) O5 0.0515(18) 0.0487(18) 0.0575(17) 0.0144(14) 0.0039(14) 0.0344(16) O6 0.0314(17) 0.091(3) 0.117(3) 0.070(2) 0.0146(18) 0.0268(18) O7 0.0495(16) 0.0327(13) 0.0625(16) 0.0310(12) 0.0343(14) 0.0293(13) O8 0.0525(16) 0.0226(12) 0.0441(13) 0.0146(10) 0.0209(12) 0.0267(12) O9 0.0282(11) 0.0201(10) 0.0329(11) 0.0111(8) 0.0124(9) 0.0158(9) _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 O3 1.948(2) . ? Zn1 O5 1.948(3) . ? Zn1 O2 1.962(2) . ? Zn1 O9 1.980(2) . ? Zn2 O8 2.031(2) . ? Zn2 O8 2.031(2) 2 ? Zn2 O9 2.060(2) . ? Zn2 O9 2.060(2) 2 ? Zn2 O4 2.292(2) . ? Zn2 O4 2.292(2) 2 ? Zn3 O9 2.005(2) . ? Zn3 O1 2.046(3) . ? Zn3 O7 2.058(2) 2 ? Zn3 N1 2.107(3) . ? Zn3 N2 2.124(3) . ? C1 N1 1.321(5) . ? C1 C2 1.402(6) . ? C1 H1A 0.9300 . ? C2 C3 1.357(7) . ? C2 H2A 0.9300 . ? C3 C4 1.396(6) . ? C3 H3A 0.9300 . ? C4 C12 1.409(5) . ? C4 C5 1.439(6) . ? C5 C6 1.333(7) . ? C5 H5A 0.9300 . ? C6 C7 1.442(6) . ? C6 H6A 0.9300 . ? C7 C8 1.381(7) . ? C7 C11 1.415(5) . ? C8 C9 1.363(7) . ? C8 H8A 0.9300 . ? C9 C10 1.393(6) . ? C9 H9A 0.9300 . ? C10 N2 1.326(5) . ? C10 H10A 0.9300 . ? C11 N2 1.360(4) . ? C11 C12 1.425(5) . ? C12 N1 1.355(4) . ? C13 C14 1.392(4) 2_566 ? C13 C15 1.395(5) . ? C13 H13A 0.9300 . ? C14 C15 1.375(5) . ? C14 C13 1.392(4) 2_566 ? C14 H14A 0.9300 . ? C15 C16 1.503(4) . ? C16 O1 1.245(4) . ? C16 O2 1.263(4) . ? C17 C19 1.381(4) 2_665 ? C17 C18 1.387(5) . ? C17 H17A 0.9300 . ? C18 C19 1.386(5) . ? C18 C20 1.506(4) . ? C19 C17 1.381(4) 2_665 ? C19 H19A 0.9300 . ? C20 O4 1.249(4) . ? C20 O3 1.270(4) . ? C21 C22 1.375(5) . ? C21 C23 1.391(5) 2_656 ? C21 H21A 0.9300 . ? C22 C23 1.370(5) . ? C22 C24 1.510(5) . ? C23 C21 1.391(5) 2_656 ? C23 H23A 0.9300 . ? C24 O6 1.243(5) . ? C24 O5 1.263(5) . ? C25 C27 1.377(5) 2_545 ? C25 C26 1.382(4) . ? C25 H25A 0.9300 . ? C26 C27 1.382(5) . ? C26 C28 1.510(4) . ? C27 C25 1.377(5) 2_545 ? C27 H27A 0.9300 . ? C28 O8 1.251(4) . ? C28 O7 1.258(4) . ? O7 Zn3 2.058(2) 2 ? O9 H1 0.8615 . ? 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 O3 Zn1 O5 107.89(13) . . ? O3 Zn1 O2 100.97(11) . . ? O5 Zn1 O2 112.35(12) . . ? O3 Zn1 O9 106.13(10) . . ? O5 Zn1 O9 114.19(11) . . ? O2 Zn1 O9 114.02(10) . . ? O8 Zn2 O8 180.0(2) . 2 ? O8 Zn2 O9 86.71(9) . . ? O8 Zn2 O9 93.29(9) 2 . ? O8 Zn2 O9 93.29(9) . 2 ? O8 Zn2 O9 86.71(9) 2 2 ? O9 Zn2 O9 180.0(2) . 2 ? O8 Zn2 O4 93.50(10) . . ? O8 Zn2 O4 86.50(10) 2 . ? O9 Zn2 O4 95.04(9) . . ? O9 Zn2 O4 84.96(9) 2 . ? O8 Zn2 O4 86.50(10) . 2 ? O8 Zn2 O4 93.50(10) 2 2 ? O9 Zn2 O4 84.96(9) . 2 ? O9 Zn2 O4 95.04(9) 2 2 ? O4 Zn2 O4 180.00(19) . 2 ? O9 Zn3 O1 99.43(10) . . ? O9 Zn3 O7 90.41(9) . 2 ? O1 Zn3 O7 89.33(11) . 2 ? O9 Zn3 N1 166.04(10) . . ? O1 Zn3 N1 94.52(11) . . ? O7 Zn3 N1 90.37(11) 2 . ? O9 Zn3 N2 98.99(10) . . ? O1 Zn3 N2 97.06(11) . . ? O7 Zn3 N2 167.58(11) 2 . ? N1 Zn3 N2 78.56(12) . . ? N1 C1 C2 122.1(4) . . ? N1 C1 H1A 118.9 . . ? C2 C1 H1A 118.9 . . ? C3 C2 C1 119.3(4) . . ? C3 C2 H2A 120.4 . . ? C1 C2 H2A 120.4 . . ? C2 C3 C4 120.4(4) . . ? C2 C3 H3A 119.8 . . ? C4 C3 H3A 119.8 . . ? C3 C4 C12 116.8(4) . . ? C3 C4 C5 124.4(4) . . ? C12 C4 C5 118.7(4) . . ? C6 C5 C4 121.9(4) . . ? C6 C5 H5A 119.1 . . ? C4 C5 H5A 119.1 . . ? C5 C6 C7 120.9(4) . . ? C5 C6 H6A 119.6 . . ? C7 C6 H6A 119.6 . . ? C8 C7 C11 117.4(4) . . ? C8 C7 C6 123.9(4) . . ? C11 C7 C6 118.7(4) . . ? C9 C8 C7 119.8(4) . . ? C9 C8 H8A 120.1 . . ? C7 C8 H8A 120.1 . . ? C8 C9 C10 119.8(5) . . ? C8 C9 H9A 120.1 . . ? C10 C9 H9A 120.1 . . ? N2 C10 C9 122.5(4) . . ? N2 C10 H10A 118.8 . . ? C9 C10 H10A 118.8 . . ? N2 C11 C7 122.6(4) . . ? N2 C11 C12 117.2(3) . . ? C7 C11 C12 120.2(3) . . ? N1 C12 C4 122.5(4) . . ? N1 C12 C11 117.8(3) . . ? C4 C12 C11 119.7(3) . . ? C14 C13 C15 120.5(3) 2_566 . ? C14 C13 H13A 119.7 2_566 . ? C15 C13 H13A 119.7 . . ? C15 C14 C13 120.2(3) . 2_566 ? C15 C14 H14A 119.9 . . ? C13 C14 H14A 119.9 2_566 . ? C14 C15 C13 119.3(3) . . ? C14 C15 C16 121.9(3) . . ? C13 C15 C16 118.8(3) . . ? O1 C16 O2 126.2(3) . . ? O1 C16 C15 117.2(3) . . ? O2 C16 C15 116.5(3) . . ? C19 C17 C18 120.4(3) 2_665 . ? C19 C17 H17A 119.8 2_665 . ? C18 C17 H17A 119.8 . . ? C19 C18 C17 119.3(3) . . ? C19 C18 C20 120.5(3) . . ? C17 C18 C20 120.1(3) . . ? C17 C19 C18 120.3(3) 2_665 . ? C17 C19 H19A 119.8 2_665 . ? C18 C19 H19A 119.8 . . ? O4 C20 O3 125.2(3) . . ? O4 C20 C18 120.7(3) . . ? O3 C20 C18 114.1(3) . . ? C22 C21 C23 120.2(4) . 2_656 ? C22 C21 H21A 119.9 . . ? C23 C21 H21A 119.9 2_656 . ? C23 C22 C21 119.4(4) . . ? C23 C22 C24 119.2(3) . . ? C21 C22 C24 121.1(4) . . ? C22 C23 C21 120.4(4) . 2_656 ? C22 C23 H23A 119.8 . . ? C21 C23 H23A 119.8 2_656 . ? O6 C24 O5 124.9(4) . . ? O6 C24 C22 118.3(4) . . ? O5 C24 C22 116.7(3) . . ? C27 C25 C26 120.4(3) 2_545 . ? C27 C25 H25A 119.8 2_545 . ? C26 C25 H25A 119.8 . . ? C27 C26 C25 119.0(3) . . ? C27 C26 C28 120.7(3) . . ? C25 C26 C28 120.3(3) . . ? C25 C27 C26 120.6(3) 2_545 . ? C25 C27 H27A 119.7 2_545 . ? C26 C27 H27A 119.7 . . ? O8 C28 O7 125.9(3) . . ? O8 C28 C26 116.4(3) . . ? O7 C28 C26 117.7(3) . . ? C1 N1 C12 118.8(3) . . ? C1 N1 Zn3 127.7(3) . . ? C12 N1 Zn3 113.4(2) . . ? C10 N2 C11 117.8(3) . . ? C10 N2 Zn3 129.2(3) . . ? C11 N2 Zn3 112.9(2) . . ? C16 O1 Zn3 129.2(2) . . ? C16 O2 Zn1 121.9(2) . . ? C20 O3 Zn1 126.3(2) . . ? C20 O4 Zn2 120.8(2) . . ? C24 O5 Zn1 114.8(3) . . ? C28 O7 Zn3 133.0(2) . 2 ? C28 O8 Zn2 130.4(2) . . ? Zn1 O9 Zn3 110.57(10) . . ? Zn1 O9 Zn2 115.42(10) . . ? Zn3 O9 Zn2 110.66(11) . . ? Zn1 O9 H1 102.0 . . ? Zn3 O9 H1 115.5 . . ? Zn2 O9 H1 102.4 . . ? _diffrn_measured_fraction_theta_max 0.987 _diffrn_reflns_theta_full 27.48 _diffrn_measured_fraction_theta_full 0.987 _refine_diff_density_max 0.618 _refine_diff_density_min -0.602 _refine_diff_density_rms 0.086