# Electronic Supplementary Material (ESI) for RSC Advances # This journal is © The Royal Society of Chemistry 2012 ####################################################################### # # 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_nithi _database_code_depnum_ccdc_archive 'CCDC 896819' #TrackingRef 'a1znlinker.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C35 H28 N2 O6 Zn' _chemical_formula_weight 637.96 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 Monoclinic _symmetry_space_group_name_H-M P21/c 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 13.6247(3) _cell_length_b 10.5447(2) _cell_length_c 20.8365(5) _cell_angle_alpha 90.00 _cell_angle_beta 96.106(2) _cell_angle_gamma 90.00 _cell_volume 2976.57(12) _cell_formula_units_Z 4 _cell_measurement_temperature 296(2) _cell_measurement_reflns_used 3851 _cell_measurement_theta_min 2.9436 _cell_measurement_theta_max 28.6697 _exptl_crystal_description block _exptl_crystal_colour colourless _exptl_crystal_size_max 0.28 _exptl_crystal_size_mid 0.22 _exptl_crystal_size_min 0.18 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.424 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1320 _exptl_absorpt_coefficient_mu 0.875 _exptl_absorpt_correction_T_min 0.70300 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details psi-scan _exptl_special_details ; ? ; _diffrn_ambient_temperature 296(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 ? _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 12225 _diffrn_reflns_av_R_equivalents 0.0346 _diffrn_reflns_av_sigmaI/netI 0.0518 _diffrn_reflns_limit_h_min -15 _diffrn_reflns_limit_h_max 16 _diffrn_reflns_limit_k_min -12 _diffrn_reflns_limit_k_max 7 _diffrn_reflns_limit_l_min -25 _diffrn_reflns_limit_l_max 24 _diffrn_reflns_theta_min 3.01 _diffrn_reflns_theta_max 25.50 _reflns_number_total 5535 _reflns_number_gt 4077 _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 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^)+(0.0003P)^2^+2.5353P] 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_number_reflns 5535 _refine_ls_number_parameters 399 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0680 _refine_ls_R_factor_gt 0.0448 _refine_ls_wR_factor_ref 0.0874 _refine_ls_wR_factor_gt 0.0773 _refine_ls_goodness_of_fit_ref 1.050 _refine_ls_restrained_S_all 1.050 _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 0.79160(3) 0.51569(3) 0.537010(17) 0.04696(12) Uani 1 1 d . . . N1 N 0.80213(19) 0.3272(2) 0.55820(11) 0.0459(6) Uani 1 1 d . . . O1 O 0.68923(19) 0.5670(2) 0.58896(12) 0.0718(7) Uani 1 1 d . . . O6 O 1.0035(2) 0.7030(3) 0.74191(10) 0.0728(8) Uani 1 1 d . . . H6 H 0.9669 0.6472 0.7259 0.109 Uiso 1 1 calc R . . O4 O 0.90837(16) 0.6232(2) 0.55091(10) 0.0568(6) Uani 1 1 d . . . C34 C 0.8410(3) -0.0164(4) 0.90449(16) 0.0663(11) Uani 1 1 d . . . H34 H 0.9042 -0.0179 0.9263 0.080 Uiso 1 1 calc R . . O5 O 0.91175(19) 0.5682(2) 0.65340(11) 0.0713(7) Uani 1 1 d . . . C32 C 0.6604(2) -0.0149(3) 0.83973(15) 0.0533(9) Uani 1 1 d . . . H32 H 0.5965 -0.0157 0.8189 0.064 Uiso 1 1 calc R . . C33 C 0.6747(2) -0.0183(3) 0.90604(15) 0.0572(9) Uani 1 1 d . . . H33 H 0.6197 -0.0216 0.9289 0.069 Uiso 1 1 calc R . . C20 C 1.1258(3) 1.0143(3) 0.54947(17) 0.0625(10) Uani 1 1 d . . . H20 H 1.1073 0.9964 0.5062 0.075 Uiso 1 1 calc R . . C30 C 0.7236(3) -0.0029(3) 0.73120(14) 0.0575(9) Uani 1 1 d . . . H30A H 0.6577 -0.0334 0.7169 0.069 Uiso 1 1 calc R . . H30B H 0.7265 0.0855 0.7187 0.069 Uiso 1 1 calc R . . C13 C 1.0042(2) 0.7479(3) 0.62847(14) 0.0435(8) Uani 1 1 d . . . C21 C 1.0950(2) 0.9332(3) 0.59735(15) 0.0464(8) Uani 1 1 d . . . C35 C 0.8318(3) -0.0138(4) 0.83800(15) 0.0688(11) Uani 1 1 d . . . H35 H 0.8878 -0.0142 0.8161 0.083 Uiso 1 1 calc R . . C22 C 1.0363(2) 0.8252(3) 0.58184(14) 0.0476(8) Uani 1 1 d . . . H22 H 1.0186 0.8056 0.5386 0.057 Uiso 1 1 calc R . . C12 C 0.9377(2) 0.6391(3) 0.61009(16) 0.0493(8) Uani 1 1 d . . . C24 C 0.7171(2) 0.1293(3) 0.55556(15) 0.0495(8) Uani 1 1 d . . . H24 H 0.6627 0.0820 0.5389 0.059 Uiso 1 1 calc R . . C25 C 0.7872(2) 0.0759(3) 0.60000(13) 0.0429(7) Uani 1 1 d . . . C23 C 0.7276(2) 0.2519(3) 0.53594(15) 0.0544(9) Uani 1 1 d . . . H23 H 0.6798 0.2848 0.5052 0.065 Uiso 1 1 calc R . . C26 C 0.8664(3) 0.1518(3) 0.62112(15) 0.0555(9) Uani 1 1 d . . . H26 H 0.9171 0.1193 0.6499 0.067 Uiso 1 1 calc R . . C9 C 0.5313(3) 0.6800(4) 0.79229(18) 0.0662(10) Uani 1 1 d . . . H9 H 0.5809 0.6227 0.8064 0.079 Uiso 1 1 calc R . . C11 C 0.5789(2) 0.6704(3) 0.68107(16) 0.0520(9) Uani 1 1 d . . . H11 H 0.6284 0.6123 0.6941 0.062 Uiso 1 1 calc R . . C5 C 0.4425(3) 0.8021(3) 0.70610(19) 0.0583(9) Uani 1 1 d . . . C3 C 0.4934(3) 0.7994(4) 0.59863(18) 0.0633(10) Uani 1 1 d . . . C16 C 1.1227(2) 0.9617(3) 0.66319(15) 0.0487(8) Uani 1 1 d . . . C29 C 0.7956(3) -0.0756(3) 0.69596(15) 0.0572(9) Uani 1 1 d . . . H29A H 0.7910 -0.1650 0.7063 0.069 Uiso 1 1 calc R . . H29B H 0.8620 -0.0476 0.7106 0.069 Uiso 1 1 calc R . . C10 C 0.5187(2) 0.7161(3) 0.72739(17) 0.0517(8) Uani 1 1 d . . . C14 C 1.0339(2) 0.7769(3) 0.69435(15) 0.0501(8) Uani 1 1 d . . . O3 O 0.4840(2) 0.8447(3) 0.53724(13) 0.0915(9) Uani 1 1 d . . . H3 H 0.5258 0.8119 0.5171 0.137 Uiso 1 1 calc R . . C15 C 1.0907(2) 0.8814(3) 0.71053(15) 0.0550(9) Uani 1 1 d . . . H15 H 1.1084 0.8997 0.7539 0.066 Uiso 1 1 calc R . . O2 O 0.6309(2) 0.7079(3) 0.51625(13) 0.0881(9) Uani 1 1 d . . . C2 C 0.5676(2) 0.7079(3) 0.61835(16) 0.0500(8) Uani 1 1 d . . . C17 C 1.1802(3) 1.0713(3) 0.67828(19) 0.0635(10) Uani 1 1 d . . . H17 H 1.1986 1.0924 0.7212 0.076 Uiso 1 1 calc R . . C27 C 0.8713(2) 0.2750(3) 0.60015(15) 0.0553(9) Uani 1 1 d . . . H27 H 0.9252 0.3242 0.6159 0.066 Uiso 1 1 calc R . . C31 C 0.7388(2) -0.0104(3) 0.80404(14) 0.0485(8) Uani 1 1 d . . . C19 C 1.1821(3) 1.1182(4) 0.5658(2) 0.0753(12) Uani 1 1 d . . . H19 H 1.2027 1.1704 0.5338 0.090 Uiso 1 1 calc R . . C18 C 1.2090(3) 1.1461(4) 0.6306(2) 0.0729(12) Uani 1 1 d . . . H18 H 1.2474 1.2174 0.6415 0.088 Uiso 1 1 calc R . . C6 C 0.3808(3) 0.8469(4) 0.7524(2) 0.0744(12) Uani 1 1 d . . . H6A H 0.3290 0.9017 0.7395 0.089 Uiso 1 1 calc R . . C28 C 0.7771(3) -0.0588(3) 0.62271(15) 0.0576(9) Uani 1 1 d . . . H28A H 0.8234 -0.1117 0.6025 0.069 Uiso 1 1 calc R . . H28B H 0.7111 -0.0886 0.6083 0.069 Uiso 1 1 calc R . . C8 C 0.4721(3) 0.7274(4) 0.8352(2) 0.0769(12) Uani 1 1 d . . . H8 H 0.4824 0.7038 0.8784 0.092 Uiso 1 1 calc R . . C1 C 0.6332(3) 0.6574(4) 0.57059(19) 0.0597(9) Uani 1 1 d . . . C4 C 0.4316(3) 0.8418(4) 0.6415(2) 0.0688(11) Uani 1 1 d . . . H4 H 0.3813 0.8981 0.6275 0.083 Uiso 1 1 calc R . . C7 C 0.3965(3) 0.8109(4) 0.8145(2) 0.0814(13) Uani 1 1 d . . . H7 H 0.3561 0.8423 0.8441 0.098 Uiso 1 1 calc R . . N2 N 0.76474(19) -0.0169(2) 0.93915(11) 0.0471(6) 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 0.0541(2) 0.0447(2) 0.0423(2) 0.00130(17) 0.00580(16) -0.00557(19) N1 0.0537(17) 0.0422(15) 0.0414(15) -0.0002(12) 0.0035(12) -0.0037(14) O1 0.0742(18) 0.0630(17) 0.0834(18) 0.0100(14) 0.0324(14) 0.0160(15) O6 0.085(2) 0.087(2) 0.0445(14) 0.0147(14) -0.0025(12) -0.0205(16) O4 0.0623(15) 0.0607(15) 0.0460(13) -0.0059(11) -0.0011(11) -0.0153(12) C34 0.052(2) 0.096(3) 0.049(2) 0.006(2) -0.0019(16) -0.020(2) O5 0.0885(19) 0.0635(17) 0.0590(15) 0.0144(13) -0.0057(13) -0.0247(15) C32 0.048(2) 0.064(2) 0.0464(18) 0.0074(17) -0.0013(15) 0.0175(18) C33 0.052(2) 0.067(2) 0.054(2) 0.0037(18) 0.0114(16) 0.0140(19) C20 0.071(2) 0.059(2) 0.059(2) 0.0023(19) 0.0142(18) -0.008(2) C30 0.065(2) 0.063(2) 0.0444(18) 0.0122(17) 0.0024(16) 0.0058(19) C13 0.0451(19) 0.0429(19) 0.0414(17) 0.0012(14) -0.0001(14) 0.0005(15) C21 0.0463(19) 0.0433(19) 0.0499(19) -0.0017(15) 0.0066(15) 0.0025(16) C35 0.053(2) 0.107(3) 0.047(2) 0.008(2) 0.0097(16) -0.021(2) C22 0.055(2) 0.049(2) 0.0385(17) -0.0060(15) 0.0031(14) 0.0001(17) C12 0.052(2) 0.0440(19) 0.051(2) 0.0025(16) 0.0009(16) 0.0020(17) C24 0.048(2) 0.0429(19) 0.056(2) -0.0005(16) -0.0035(15) -0.0046(16) C25 0.056(2) 0.0402(18) 0.0326(16) -0.0026(14) 0.0062(14) 0.0023(16) C23 0.057(2) 0.047(2) 0.056(2) 0.0069(17) -0.0066(17) -0.0026(18) C26 0.061(2) 0.052(2) 0.050(2) 0.0025(17) -0.0121(16) 0.0038(19) C9 0.060(2) 0.065(3) 0.074(3) 0.002(2) 0.006(2) 0.000(2) C11 0.0415(19) 0.0421(19) 0.071(2) 0.0029(17) 0.0022(16) 0.0029(16) C5 0.052(2) 0.043(2) 0.079(3) -0.0064(19) 0.0069(19) -0.0021(18) C3 0.064(3) 0.057(2) 0.065(2) 0.001(2) -0.0122(19) 0.002(2) C16 0.0432(19) 0.046(2) 0.056(2) -0.0052(17) 0.0012(15) 0.0031(16) C29 0.076(3) 0.045(2) 0.050(2) 0.0100(16) 0.0032(17) 0.0085(19) C10 0.046(2) 0.0411(19) 0.068(2) -0.0041(17) 0.0070(16) -0.0043(16) C14 0.052(2) 0.057(2) 0.0408(18) 0.0045(16) 0.0005(15) 0.0006(18) O3 0.092(2) 0.109(3) 0.0689(18) 0.0121(18) -0.0114(15) 0.0226(19) C15 0.055(2) 0.065(2) 0.0423(19) -0.0112(17) -0.0050(16) -0.0008(19) O2 0.114(2) 0.089(2) 0.0627(17) 0.0010(16) 0.0134(16) 0.0164(18) C2 0.046(2) 0.0403(19) 0.063(2) -0.0071(17) 0.0001(16) -0.0014(16) C17 0.058(2) 0.050(2) 0.080(3) -0.016(2) -0.007(2) 0.0012(19) C27 0.058(2) 0.055(2) 0.051(2) -0.0037(17) -0.0057(17) -0.0080(18) C31 0.059(2) 0.0423(19) 0.0436(17) 0.0083(15) 0.0007(15) 0.0003(17) C19 0.076(3) 0.061(3) 0.091(3) 0.012(2) 0.017(2) -0.013(2) C18 0.062(3) 0.044(2) 0.111(4) -0.004(2) -0.001(2) -0.012(2) C6 0.064(3) 0.052(2) 0.110(4) -0.009(2) 0.022(2) 0.009(2) C28 0.080(3) 0.045(2) 0.0471(19) -0.0005(16) 0.0051(17) 0.0029(19) C8 0.084(3) 0.079(3) 0.070(3) -0.006(2) 0.018(2) -0.011(3) C1 0.061(2) 0.049(2) 0.068(3) -0.003(2) 0.0025(19) -0.0109(19) C4 0.052(2) 0.061(3) 0.091(3) -0.004(2) -0.001(2) 0.017(2) C7 0.084(3) 0.065(3) 0.101(4) -0.012(3) 0.041(3) -0.009(3) N2 0.0523(17) 0.0463(16) 0.0428(14) 0.0013(12) 0.0060(12) -0.0011(14) _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 O1 1.932(2) . ? Zn1 O4 1.950(2) . ? Zn1 N2 2.033(2) 4_565 ? Zn1 N1 2.038(3) . ? N1 C23 1.332(4) . ? N1 C27 1.334(4) . ? O1 C1 1.255(4) . ? O6 C14 1.359(4) . ? O4 C12 1.266(3) . ? C34 N2 1.327(4) . ? C34 C35 1.378(4) . ? O5 C12 1.252(4) . ? C32 C31 1.366(4) . ? C32 C33 1.375(4) . ? C33 N2 1.342(4) . ? C20 C19 1.360(5) . ? C20 C21 1.411(4) . ? C30 C29 1.497(4) . ? C30 C31 1.512(4) . ? C13 C22 1.375(4) . ? C13 C14 1.422(4) . ? C13 C12 1.487(4) . ? C21 C22 1.409(4) . ? C21 C16 1.416(4) . ? C35 C31 1.384(4) . ? C24 C23 1.368(4) . ? C24 C25 1.378(4) . ? C25 C26 1.377(4) . ? C25 C28 1.508(4) . ? C26 C27 1.375(4) . ? C9 C8 1.361(5) . ? C9 C10 1.398(5) . ? C11 C2 1.358(4) . ? C11 C10 1.416(4) . ? C5 C4 1.403(5) . ? C5 C10 1.414(4) . ? C5 C6 1.427(5) . ? C3 O3 1.359(4) . ? C3 C4 1.366(5) . ? C3 C2 1.426(4) . ? C16 C15 1.404(4) . ? C16 C17 1.413(4) . ? C29 C28 1.530(4) . ? C14 C15 1.368(4) . ? O2 C1 1.249(4) . ? C2 C1 1.504(5) . ? C17 C18 1.358(5) . ? C19 C18 1.393(5) . ? C6 C7 1.344(5) . ? C8 C7 1.389(5) . ? N2 Zn1 2.033(2) 4_566 ? 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 O1 Zn1 O4 112.36(11) . . ? O1 Zn1 N2 119.78(11) . 4_565 ? O4 Zn1 N2 101.67(10) . 4_565 ? O1 Zn1 N1 100.96(11) . . ? O4 Zn1 N1 119.81(10) . . ? N2 Zn1 N1 102.98(10) 4_565 . ? C23 N1 C27 116.2(3) . . ? C23 N1 Zn1 118.2(2) . . ? C27 N1 Zn1 125.0(2) . . ? C1 O1 Zn1 119.6(3) . . ? C12 O4 Zn1 112.9(2) . . ? N2 C34 C35 123.7(3) . . ? C31 C32 C33 120.9(3) . . ? N2 C33 C32 122.7(3) . . ? C19 C20 C21 120.9(3) . . ? C29 C30 C31 116.0(3) . . ? C22 C13 C14 118.4(3) . . ? C22 C13 C12 120.4(3) . . ? C14 C13 C12 121.1(3) . . ? C22 C21 C20 122.1(3) . . ? C22 C21 C16 118.7(3) . . ? C20 C21 C16 119.2(3) . . ? C34 C35 C31 119.6(3) . . ? C13 C22 C21 122.2(3) . . ? O5 C12 O4 122.6(3) . . ? O5 C12 C13 119.1(3) . . ? O4 C12 C13 118.3(3) . . ? C23 C24 C25 120.0(3) . . ? C26 C25 C24 116.1(3) . . ? C26 C25 C28 122.8(3) . . ? C24 C25 C28 121.1(3) . . ? N1 C23 C24 124.0(3) . . ? C27 C26 C25 120.7(3) . . ? C8 C9 C10 121.0(4) . . ? C2 C11 C10 122.8(3) . . ? C4 C5 C10 119.5(3) . . ? C4 C5 C6 122.7(4) . . ? C10 C5 C6 117.8(4) . . ? O3 C3 C4 119.8(3) . . ? O3 C3 C2 120.1(4) . . ? C4 C3 C2 120.0(3) . . ? C15 C16 C17 122.9(3) . . ? C15 C16 C21 118.8(3) . . ? C17 C16 C21 118.3(3) . . ? C30 C29 C28 112.5(3) . . ? C9 C10 C5 119.2(3) . . ? C9 C10 C11 123.1(3) . . ? C5 C10 C11 117.6(3) . . ? O6 C14 C15 119.3(3) . . ? O6 C14 C13 120.2(3) . . ? C15 C14 C13 120.4(3) . . ? C14 C15 C16 121.5(3) . . ? C11 C2 C3 118.6(3) . . ? C11 C2 C1 121.2(3) . . ? C3 C2 C1 120.2(3) . . ? C18 C17 C16 120.6(3) . . ? N1 C27 C26 122.9(3) . . ? C32 C31 C35 116.6(3) . . ? C32 C31 C30 121.1(3) . . ? C35 C31 C30 122.3(3) . . ? C20 C19 C18 119.7(4) . . ? C17 C18 C19 121.3(4) . . ? C7 C6 C5 120.9(4) . . ? C25 C28 C29 114.3(3) . . ? C9 C8 C7 120.1(4) . . ? O2 C1 O1 123.8(4) . . ? O2 C1 C2 119.3(3) . . ? O1 C1 C2 116.9(3) . . ? C3 C4 C5 121.3(3) . . ? C6 C7 C8 121.0(4) . . ? C34 N2 C33 116.5(3) . . ? C34 N2 Zn1 118.6(2) . 4_566 ? C33 N2 Zn1 124.9(2) . 4_566 ? _diffrn_measured_fraction_theta_max 0.998 _diffrn_reflns_theta_full 25.50 _diffrn_measured_fraction_theta_full 0.998 _refine_diff_density_max 0.263 _refine_diff_density_min -0.365 _refine_diff_density_rms 0.049