# Supplementary Material (ESI) for CrystEngComm # This journal is (c) The Royal Society of Chemistry 2010 data_global _journal_name_full CrystEngComm _journal_coden_Cambridge 1350 _journal_volume ? _journal_page_first ? _journal_year ? _publ_contact_author_name 'Feng Luo' _publ_contact_author_email ECIT.LUOFENG@GMAIL.COM _publ_section_title ; Temperature-controlled structure diversity observed in the Zn(II)-oxalate-4,4-bipyridine three-member system ; loop_ _publ_author_name 'Feng Luo.' 'Yun-hai Liu.' 'Mingbiao Luo.' # Attachment '2.cif' data_2 _database_code_depnum_ccdc_archive 'CCDC 741061' #TrackingRef '2.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C46 H32 N8 O12 Zn3' _chemical_formula_weight 1084.91 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 P2(1)/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 16.293(3) _cell_length_b 15.589(3) _cell_length_c 16.355(3) _cell_angle_alpha 90.00 _cell_angle_beta 93.92(3) _cell_angle_gamma 90.00 _cell_volume 4144.2(14) _cell_formula_units_Z 4 _cell_measurement_temperature 296(2) _cell_measurement_reflns_used 22011 _cell_measurement_theta_min 3.01 _cell_measurement_theta_max 25.0 _exptl_crystal_description Block _exptl_crystal_colour Colorless _exptl_crystal_size_max 0.20 _exptl_crystal_size_mid 0.20 _exptl_crystal_size_min 0.13 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.739 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2200 _exptl_absorpt_coefficient_mu 1.803 _exptl_absorpt_correction_type Multi-scan _exptl_absorpt_correction_T_min 0.7144 _exptl_absorpt_correction_T_max 0.7994 _exptl_absorpt_process_details ? _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 'Bruker P4' _diffrn_measurement_method '\w scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 30085 _diffrn_reflns_av_R_equivalents 0.0910 _diffrn_reflns_av_sigmaI/netI 0.0668 _diffrn_reflns_limit_h_min -19 _diffrn_reflns_limit_h_max 19 _diffrn_reflns_limit_k_min -17 _diffrn_reflns_limit_k_max 18 _diffrn_reflns_limit_l_min -19 _diffrn_reflns_limit_l_max 19 _diffrn_reflns_theta_min 9.30 _diffrn_reflns_theta_max 25.00 _reflns_number_total 6878 _reflns_number_gt 4895 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker XSCANS' _computing_cell_refinement 'Bruker XSCANS' _computing_data_reduction 'Bruker SHELXTL' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _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^)+(0.0514P)^2^+129.1359P] 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 refu _refine_ls_extinction_method SHELXL _refine_ls_extinction_coef 0.0056(9) _refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^ _refine_ls_number_reflns 6878 _refine_ls_number_parameters 623 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.1341 _refine_ls_R_factor_gt 0.1072 _refine_ls_wR_factor_ref 0.2994 _refine_ls_wR_factor_gt 0.2870 _refine_ls_goodness_of_fit_ref 1.092 _refine_ls_restrained_S_all 1.092 _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 C1 C 0.6924(9) 0.1123(11) 0.1611(9) 0.044(3) Uani 1 1 d . . . H1 H 0.7471 0.1013 0.1780 0.052 Uiso 1 1 calc R . . C2 C 0.1830(7) 0.7230(7) 0.4984(7) 0.025(3) Uani 1 1 d . . . C3 C 0.2542(7) 0.7232(8) 0.5684(7) 0.026(3) Uani 1 1 d . . . C4 C 0.2429(9) 0.3920(8) 0.4410(7) 0.031(3) Uani 1 1 d . . . C5 C 0.2229(8) 1.0571(9) 0.4536(8) 0.032(3) Uani 1 1 d . . . C6 C 0.2901(9) 1.0584(8) 0.5239(8) 0.034(3) Uani 1 1 d . . . C7 C 0.3104(8) 0.3919(8) 0.5065(9) 0.033(3) Uani 1 1 d . . . C8 C 0.0736(9) 0.2248(10) 0.6752(8) 0.040(3) Uani 1 1 d . . . C9 C 0.4363(8) 0.8889(9) 0.3188(8) 0.037(3) Uani 1 1 d . . . C10 C 0.5565(8) 0.1469(9) 0.1969(8) 0.034(3) Uani 1 1 d . . . C11 C -0.0173(8) 0.4620(10) 0.7747(9) 0.039(3) Uani 1 1 d . . . C12 C 0.3578(9) 0.1678(11) 0.2965(8) 0.043(4) Uani 1 1 d . . . H12 H 0.3021 0.1612 0.2814 0.052 Uiso 1 1 calc R . . C13 C 0.1251(9) 0.5016(11) 0.7360(10) 0.050(4) Uani 1 1 d . . . H13 H 0.1415 0.5104 0.7910 0.060 Uiso 1 1 calc R . . C14 C 0.0450(8) 0.4734(10) 0.7127(9) 0.041(3) Uani 1 1 d . . . C15 C 0.0109(8) 0.2231(10) 0.7372(8) 0.036(3) Uani 1 1 d . . . C16 C 0.5378(9) 0.1574(12) 0.1134(9) 0.046(4) Uani 1 1 d . . . H16 H 0.4873 0.1799 0.0941 0.055 Uiso 1 1 calc R . . C17 C 0.1780(10) 0.5155(11) 0.6774(9) 0.047(4) Uani 1 1 d . . . H17 H 0.2310 0.5331 0.6941 0.056 Uiso 1 1 calc R . . C18 C 0.4726(10) 0.9279(11) 0.1775(9) 0.049(4) Uani 1 1 d . . . H18 H 0.4174 0.9358 0.1611 0.058 Uiso 1 1 calc R . . C19 C 0.5177(9) 0.2018(12) 0.3342(9) 0.048(4) Uani 1 1 d . . . H19 H 0.5726 0.2138 0.3491 0.058 Uiso 1 1 calc R . . C20 C 0.0044(9) 0.4276(11) 0.8521(9) 0.043(3) Uani 1 1 d . . . H20 H 0.0589 0.4137 0.8666 0.052 Uiso 1 1 calc R . . C21 C 0.5350(11) 0.9411(11) 0.1211(10) 0.053(4) Uani 1 1 d . . . H21 H 0.5201 0.9643 0.0698 0.063 Uiso 1 1 calc R . . C22 C 0.6384(9) 0.1277(11) 0.2215(9) 0.046(4) Uani 1 1 d . . . H22 H 0.6561 0.1254 0.2768 0.055 Uiso 1 1 calc R . . C23 C 0.4948(8) 0.1670(9) 0.2579(8) 0.035(3) Uani 1 1 d . . . C24 C 0.4128(9) 0.1454(14) 0.2390(9) 0.053(4) Uani 1 1 d . . . H24 H 0.3958 0.1174 0.1905 0.064 Uiso 1 1 calc R . . C25 C -0.0990(9) 0.4799(10) 0.7594(9) 0.041(3) Uani 1 1 d . . . H25 H -0.1175 0.5007 0.7081 0.049 Uiso 1 1 calc R . . C26 C 0.4577(10) 0.2183(12) 0.3873(9) 0.049(4) Uani 1 1 d . . . H26 H 0.4727 0.2447 0.4371 0.059 Uiso 1 1 calc R . . C27 C 0.0258(9) 0.4612(10) 0.6305(9) 0.041(3) Uani 1 1 d . . . H27 H -0.0270 0.4441 0.6122 0.049 Uiso 1 1 calc R . . C28 C 0.4959(9) 0.9035(10) 0.2559(9) 0.040(3) Uani 1 1 d . . . C29 C 0.3545(9) 0.8657(11) 0.2976(9) 0.047(4) Uani 1 1 d . . . H29 H 0.3371 0.8542 0.2434 0.056 Uiso 1 1 calc R . . C30 C 0.3008(9) 0.8601(11) 0.3577(9) 0.048(4) Uani 1 1 d . . . H30 H 0.2465 0.8462 0.3422 0.057 Uiso 1 1 calc R . . C31 C -0.1255(9) 0.2444(8) 0.7790(8) 0.035(3) Uani 1 1 d . . . H31 H -0.1788 0.2638 0.7660 0.042 Uiso 1 1 calc R . . C32 C 0.3993(10) 0.8903(13) 0.4570(10) 0.055(4) Uani 1 1 d . . . H32 H 0.4159 0.8935 0.5124 0.066 Uiso 1 1 calc R . . C33 C 0.4576(9) 0.9036(12) 0.4013(9) 0.049(4) Uani 1 1 d . . . H33 H 0.5102 0.9220 0.4186 0.059 Uiso 1 1 calc R . . C34 C -0.1534(10) 0.4680(10) 0.8167(9) 0.045(3) Uani 1 1 d . . . H34 H -0.2077 0.4849 0.8048 0.054 Uiso 1 1 calc R . . C35 C 0.0297(10) 0.1912(12) 0.8175(9) 0.054(4) Uani 1 1 d . . . H35 H 0.0826 0.1725 0.8336 0.064 Uiso 1 1 calc R . . C36 C 0.1561(9) 0.2337(13) 0.6971(9) 0.052(4) Uani 1 1 d . . . H36 H 0.1738 0.2385 0.7522 0.062 Uiso 1 1 calc R . . C37 C -0.0525(10) 0.4146(11) 0.9047(9) 0.048(4) Uani 1 1 d . . . H37 H -0.0356 0.3911 0.9553 0.058 Uiso 1 1 calc R . . C38 C 0.5800(9) 0.8893(12) 0.2753(10) 0.050(4) Uani 1 1 d . . . H38 H 0.5990 0.8719 0.3276 0.060 Uiso 1 1 calc R . . C39 C 0.0844(9) 0.4741(11) 0.5753(8) 0.043(3) Uani 1 1 d . . . H39 H 0.0720 0.4604 0.5205 0.051 Uiso 1 1 calc R . . C40 C -0.0702(9) 0.2472(12) 0.7186(9) 0.048(4) Uani 1 1 d . . . H40 H -0.0872 0.2651 0.6659 0.057 Uiso 1 1 calc R . . C41 C 0.0514(9) 0.2242(13) 0.5914(9) 0.048(4) Uani 1 1 d . . . H41 H -0.0039 0.2233 0.5731 0.058 Uiso 1 1 calc R . . C42 C -0.0300(9) 0.1886(9) 0.8700(9) 0.040(3) Uani 1 1 d . . . H42 H -0.0166 0.1659 0.9218 0.048 Uiso 1 1 calc R . . C43 C 0.1102(9) 0.2249(12) 0.5362(9) 0.048(4) Uani 1 1 d . . . H43 H 0.0934 0.2208 0.4808 0.058 Uiso 1 1 calc R . . C44 C 0.2131(9) 0.2357(13) 0.6382(9) 0.052(4) Uani 1 1 d . . . H44 H 0.2686 0.2405 0.6552 0.062 Uiso 1 1 calc R . . C45 C 0.6341(11) 0.9021(12) 0.2143(10) 0.052(4) Uani 1 1 d . . . H45 H 0.6899 0.8960 0.2292 0.062 Uiso 1 1 calc R . . C46 C 0.5961(9) 0.1335(11) 0.0585(9) 0.044(4) Uani 1 1 d . . . H46 H 0.5797 0.1329 0.0029 0.053 Uiso 1 1 calc R . . N1 N 0.3206(7) 0.8732(8) 0.4364(7) 0.040(3) Uani 1 1 d . . . N2 N 0.6145(8) 0.9211(7) 0.1401(7) 0.040(3) Uani 1 1 d . . . N3 N -0.1329(7) 0.4329(8) 0.8906(7) 0.043(3) Uani 1 1 d . . . N4 N 0.1598(7) 0.5061(8) 0.5983(7) 0.035(3) Uani 1 1 d . . . N5 N 0.3771(7) 0.1975(6) 0.3700(7) 0.030(2) Uani 1 1 d . . . N6 N 0.6718(7) 0.1122(7) 0.0804(6) 0.034(2) Uani 1 1 d . . . N7 N 0.1918(7) 0.2312(9) 0.5571(6) 0.041(3) Uani 1 1 d . . . N8 N -0.1074(8) 0.2159(11) 0.8538(8) 0.056(4) Uani 1 1 d . . . O1 O 0.2985(6) 0.9941(6) 0.5703(6) 0.037(2) Uani 1 1 d . . . O2 O 0.1830(6) 0.9907(7) 0.4459(6) 0.040(2) Uani 1 1 d . . . O3 O 0.3370(5) 1.1258(6) 0.5346(6) 0.036(2) Uani 1 1 d . . . O4 O 0.2133(5) 1.1256(6) 0.4110(5) 0.034(2) Uani 1 1 d . . . O5 O 0.2772(5) 0.7963(5) 0.5976(5) 0.0294(19) Uani 1 1 d . . . O6 O 0.1534(5) 0.7963(6) 0.4728(5) 0.032(2) Uani 1 1 d . . . O7 O 0.2843(5) 0.6533(6) 0.5868(5) 0.034(2) Uani 1 1 d . . . O8 O 0.1619(5) 0.6535(6) 0.4703(5) 0.035(2) Uani 1 1 d . . . O9 O 0.3302(5) 0.4636(6) 0.5449(5) 0.033(2) Uani 1 1 d . . . O10 O 0.2022(5) 0.4631(6) 0.4245(5) 0.0317(19) Uani 1 1 d . . . O11 O 0.3470(5) 0.3225(6) 0.5218(5) 0.032(2) Uani 1 1 d . . . O12 O 0.2270(5) 0.3245(6) 0.4034(5) 0.034(2) Uani 1 1 d . . . Zn1 Zn 0.28807(9) 0.22326(10) 0.45998(9) 0.0319(5) Uani 1 1 d . . . Zn2 Zn 0.22279(9) 0.89477(10) 0.52708(9) 0.0317(5) Uani 1 1 d . . . Zn3 Zn 0.24399(9) 0.55674(10) 0.50764(9) 0.0308(5) 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 C1 0.030(7) 0.062(10) 0.039(7) -0.004(7) 0.000(6) 0.003(7) C2 0.026(6) 0.014(6) 0.038(6) -0.001(5) 0.021(5) 0.003(5) C3 0.019(5) 0.035(7) 0.027(6) -0.001(5) 0.010(5) 0.001(5) C4 0.050(8) 0.018(6) 0.027(6) -0.001(5) 0.021(6) 0.000(6) C5 0.025(6) 0.032(7) 0.040(7) 0.006(6) 0.005(5) 0.008(6) C6 0.050(8) 0.024(6) 0.030(6) -0.002(5) 0.021(6) -0.008(6) C7 0.026(6) 0.028(7) 0.048(8) -0.003(6) 0.017(6) -0.004(5) C8 0.036(7) 0.049(8) 0.034(7) -0.013(6) 0.004(6) 0.014(7) C9 0.034(7) 0.038(8) 0.040(7) 0.006(6) 0.004(6) 0.004(6) C10 0.033(7) 0.030(7) 0.039(7) 0.003(6) 0.005(6) 0.004(6) C11 0.033(7) 0.044(8) 0.041(7) 0.002(6) 0.002(6) -0.010(6) C12 0.027(7) 0.074(11) 0.027(7) -0.011(7) -0.001(5) 0.014(7) C13 0.038(8) 0.059(10) 0.050(9) 0.000(7) -0.010(7) -0.014(7) C14 0.033(7) 0.053(9) 0.037(7) 0.019(6) 0.003(6) -0.002(6) C15 0.032(7) 0.050(8) 0.027(6) 0.002(6) 0.007(5) -0.008(6) C16 0.037(8) 0.067(10) 0.034(7) 0.005(7) 0.005(6) 0.018(7) C17 0.037(8) 0.061(10) 0.042(8) 0.004(7) 0.004(6) -0.011(7) C18 0.046(8) 0.061(10) 0.041(8) 0.005(7) 0.010(7) -0.009(7) C19 0.032(7) 0.074(11) 0.039(8) -0.012(7) 0.005(6) -0.001(7) C20 0.031(7) 0.060(10) 0.038(7) 0.006(7) 0.000(6) -0.006(7) C21 0.062(10) 0.054(10) 0.042(8) 0.010(7) 0.004(7) 0.001(8) C22 0.040(8) 0.063(10) 0.033(7) -0.004(7) -0.002(6) 0.007(7) C23 0.033(7) 0.042(8) 0.031(6) -0.003(6) 0.004(5) 0.005(6) C24 0.035(8) 0.094(13) 0.031(7) -0.005(8) 0.001(6) 0.006(8) C25 0.040(8) 0.048(9) 0.035(7) 0.010(6) -0.002(6) 0.001(7) C26 0.045(8) 0.072(11) 0.031(7) -0.026(7) 0.001(6) 0.010(8) C27 0.032(7) 0.047(8) 0.043(8) -0.003(7) 0.001(6) -0.001(6) C28 0.038(7) 0.045(8) 0.040(7) -0.008(6) 0.013(6) 0.003(6) C29 0.040(8) 0.064(10) 0.037(7) -0.012(7) 0.002(6) -0.008(7) C30 0.036(8) 0.065(11) 0.043(8) -0.002(7) 0.002(6) -0.005(7) C31 0.036(7) 0.032(7) 0.037(7) 0.001(6) 0.001(6) 0.004(6) C32 0.047(9) 0.082(13) 0.036(8) 0.011(8) 0.010(7) 0.000(9) C33 0.029(7) 0.076(11) 0.043(8) -0.009(8) 0.005(6) -0.003(7) C34 0.048(9) 0.041(8) 0.045(8) 0.002(7) -0.002(7) 0.006(7) C35 0.038(8) 0.084(13) 0.039(8) -0.009(8) 0.001(7) 0.014(8) C36 0.035(8) 0.089(13) 0.032(7) -0.004(8) 0.009(6) -0.012(8) C37 0.044(8) 0.060(10) 0.040(8) 0.013(7) -0.008(7) -0.015(7) C38 0.035(8) 0.072(11) 0.041(8) 0.005(8) 0.000(6) 0.006(7) C39 0.041(8) 0.060(10) 0.028(7) -0.002(6) 0.005(6) -0.007(7) C40 0.036(8) 0.076(12) 0.032(7) -0.008(7) 0.004(6) 0.004(7) C41 0.028(7) 0.081(11) 0.035(7) 0.010(8) 0.003(6) 0.008(7) C42 0.041(8) 0.041(8) 0.037(7) -0.002(6) -0.002(6) 0.002(6) C43 0.029(7) 0.078(11) 0.037(7) -0.011(8) -0.002(6) 0.007(7) C44 0.027(7) 0.086(13) 0.041(8) 0.005(8) 0.004(6) -0.009(8) C45 0.048(9) 0.062(10) 0.047(9) -0.014(8) 0.010(7) -0.010(8) C46 0.038(8) 0.065(10) 0.030(7) 0.002(7) 0.007(6) -0.006(7) N1 0.031(6) 0.049(7) 0.041(6) 0.006(5) 0.003(5) -0.005(5) N2 0.049(7) 0.029(6) 0.043(7) -0.001(5) 0.001(5) 0.002(5) N3 0.040(7) 0.050(7) 0.039(6) -0.003(6) 0.003(5) 0.005(6) N4 0.029(6) 0.041(6) 0.036(6) -0.001(5) 0.009(5) 0.002(5) N5 0.032(6) 0.021(5) 0.036(6) 0.002(4) -0.004(5) 0.006(4) N6 0.034(6) 0.037(6) 0.032(6) 0.002(5) 0.003(5) -0.005(5) N7 0.034(6) 0.060(8) 0.027(5) 0.003(5) 0.003(5) -0.009(6) N8 0.041(7) 0.078(10) 0.051(8) -0.017(7) 0.015(6) -0.025(7) O1 0.035(5) 0.040(5) 0.036(5) 0.000(4) -0.002(4) 0.004(4) O2 0.041(5) 0.045(6) 0.034(5) -0.006(4) -0.003(4) -0.011(5) O3 0.032(5) 0.036(5) 0.039(5) 0.017(4) -0.009(4) 0.007(4) O4 0.035(5) 0.029(5) 0.037(5) 0.000(4) -0.007(4) -0.003(4) O5 0.032(5) 0.026(5) 0.029(4) 0.004(3) -0.009(4) 0.002(4) O6 0.029(5) 0.028(5) 0.039(5) -0.003(4) -0.003(4) -0.004(4) O7 0.034(5) 0.038(5) 0.030(4) 0.006(4) 0.006(4) 0.006(4) O8 0.031(5) 0.039(5) 0.033(5) 0.000(4) 0.002(4) 0.001(4) O9 0.034(5) 0.029(5) 0.034(5) -0.007(4) -0.006(4) 0.003(4) O10 0.027(4) 0.031(5) 0.035(5) -0.007(4) -0.009(4) -0.001(4) O11 0.030(5) 0.036(5) 0.029(4) 0.004(4) -0.001(4) 0.004(4) O12 0.027(4) 0.042(5) 0.033(5) -0.004(4) 0.004(4) -0.011(4) Zn1 0.0291(8) 0.0342(9) 0.0325(8) -0.0019(6) 0.0034(6) 0.0001(6) Zn2 0.0313(8) 0.0310(8) 0.0333(8) 0.0000(6) 0.0052(6) 0.0010(6) Zn3 0.0309(8) 0.0304(8) 0.0313(8) 0.0001(6) 0.0034(6) 0.0004(6) _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 C1 N6 1.341(18) . ? C1 C22 1.39(2) . ? C2 O8 1.218(15) . ? C2 O6 1.299(15) . ? C2 C3 1.573(18) . ? C3 O7 1.224(16) . ? C3 O5 1.281(15) . ? C4 O12 1.236(15) . ? C4 O10 1.310(15) . ? C4 C7 1.48(2) . ? C5 O2 1.224(17) . ? C5 O4 1.279(16) . ? C5 C6 1.53(2) . ? C6 O1 1.260(16) . ? C6 O3 1.303(16) . ? C7 O11 1.253(16) . ? C7 O9 1.310(16) . ? C8 C36 1.37(2) . ? C8 C41 1.39(2) . ? C8 C15 1.487(18) . ? C9 C33 1.39(2) . ? C9 C29 1.40(2) . ? C9 C28 1.479(19) . ? C10 C16 1.39(2) . ? C10 C22 1.40(2) . ? C10 C23 1.497(18) . ? C11 C25 1.37(2) . ? C11 C20 1.40(2) . ? C11 C14 1.494(19) . ? C12 N5 1.305(17) . ? C12 C24 1.39(2) . ? C13 C17 1.35(2) . ? C13 C14 1.40(2) . ? C14 C27 1.37(2) . ? C15 C40 1.39(2) . ? C15 C35 1.42(2) . ? C16 C46 1.40(2) . ? C17 N4 1.315(19) . ? C18 C28 1.37(2) . ? C18 C21 1.43(2) . ? C19 C26 1.38(2) . ? C19 C23 1.39(2) . ? C20 C37 1.32(2) . ? C21 N2 1.35(2) . ? C23 C24 1.39(2) . ? C25 C34 1.35(2) . ? C26 N5 1.363(19) . ? C27 C39 1.37(2) . ? C28 C38 1.40(2) . ? C29 C30 1.36(2) . ? C30 N1 1.322(19) . ? C31 N8 1.32(2) . ? C31 C40 1.38(2) . ? C32 N1 1.33(2) . ? C32 C33 1.38(2) . ? C34 N3 1.35(2) . ? C35 C42 1.34(2) . ? C36 C44 1.38(2) . ? C37 N3 1.34(2) . ? C38 C45 1.39(2) . ? C39 N4 1.355(19) . ? C41 C43 1.36(2) . ? C42 N8 1.34(2) . ? C43 N7 1.353(18) . ? C44 N7 1.350(19) . ? C45 N2 1.27(2) . ? C46 N6 1.304(19) . ? N1 Zn2 2.275(12) . ? N3 Zn2 2.140(12) 2_546 ? N4 Zn3 2.231(11) . ? N5 Zn1 2.173(11) . ? N6 Zn3 2.230(11) 2_645 ? N7 Zn1 2.312(11) . ? O1 Zn2 2.073(10) . ? O2 Zn2 2.073(10) . ? O3 Zn1 2.073(8) 1_565 ? O4 Zn1 2.076(9) 1_565 ? O5 Zn2 2.082(8) . ? O6 Zn2 2.070(9) . ? O7 Zn3 2.064(10) . ? O8 Zn3 2.081(9) . ? O9 Zn3 2.082(9) . ? O10 Zn3 2.077(8) . ? O11 Zn1 2.051(9) . ? O12 Zn1 2.052(10) . ? Zn1 O3 2.073(8) 1_545 ? Zn1 O4 2.076(9) 1_545 ? Zn2 N3 2.140(12) 2_556 ? Zn3 N6 2.230(11) 2_655 ? 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 N6 C1 C22 124.9(13) . . ? O8 C2 O6 124.9(12) . . ? O8 C2 C3 116.9(10) . . ? O6 C2 C3 118.2(10) . . ? O7 C3 O5 126.6(11) . . ? O7 C3 C2 116.2(11) . . ? O5 C3 C2 117.1(10) . . ? O12 C4 O10 122.2(12) . . ? O12 C4 C7 118.6(11) . . ? O10 C4 C7 119.3(11) . . ? O2 C5 O4 127.3(12) . . ? O2 C5 C6 115.8(11) . . ? O4 C5 C6 116.8(11) . . ? O1 C6 O3 121.5(13) . . ? O1 C6 C5 118.9(11) . . ? O3 C6 C5 119.6(11) . . ? O11 C7 O9 122.9(12) . . ? O11 C7 C4 117.7(11) . . ? O9 C7 C4 119.4(11) . . ? C36 C8 C41 116.1(13) . . ? C36 C8 C15 121.9(12) . . ? C41 C8 C15 121.8(12) . . ? C33 C9 C29 116.9(13) . . ? C33 C9 C28 121.2(13) . . ? C29 C9 C28 121.8(13) . . ? C16 C10 C22 116.7(12) . . ? C16 C10 C23 121.2(12) . . ? C22 C10 C23 121.5(12) . . ? C25 C11 C20 115.3(12) . . ? C25 C11 C14 123.3(12) . . ? C20 C11 C14 121.3(12) . . ? N5 C12 C24 126.0(13) . . ? C17 C13 C14 118.9(14) . . ? C27 C14 C13 117.1(13) . . ? C27 C14 C11 121.9(12) . . ? C13 C14 C11 121.0(13) . . ? C40 C15 C35 116.1(12) . . ? C40 C15 C8 122.2(12) . . ? C35 C15 C8 121.5(13) . . ? C10 C16 C46 119.1(13) . . ? N4 C17 C13 124.7(14) . . ? C28 C18 C21 118.8(15) . . ? C26 C19 C23 118.8(14) . . ? C37 C20 C11 120.2(14) . . ? N2 C21 C18 122.0(14) . . ? C1 C22 C10 118.1(13) . . ? C19 C23 C24 119.3(12) . . ? C19 C23 C10 122.0(12) . . ? C24 C23 C10 118.6(12) . . ? C12 C24 C23 116.3(14) . . ? C34 C25 C11 121.6(13) . . ? N5 C26 C19 122.7(13) . . ? C14 C27 C39 120.0(13) . . ? C18 C28 C38 117.4(13) . . ? C18 C28 C9 122.8(14) . . ? C38 C28 C9 119.7(13) . . ? C30 C29 C9 119.0(13) . . ? N1 C30 C29 124.6(14) . . ? N8 C31 C40 124.0(13) . . ? N1 C32 C33 124.1(15) . . ? C32 C33 C9 118.7(14) . . ? C25 C34 N3 123.0(14) . . ? C42 C35 C15 118.9(14) . . ? C8 C36 C44 120.8(14) . . ? C20 C37 N3 125.1(14) . . ? C45 C38 C28 118.2(15) . . ? N4 C39 C27 122.0(13) . . ? C31 C40 C15 119.4(13) . . ? C43 C41 C8 120.4(13) . . ? N8 C42 C35 125.2(14) . . ? N7 C43 C41 123.8(13) . . ? N7 C44 C36 122.8(13) . . ? N2 C45 C38 126.0(16) . . ? N6 C46 C16 124.2(13) . . ? C30 N1 C32 116.3(12) . . ? C30 N1 Zn2 121.5(10) . . ? C32 N1 Zn2 120.8(10) . . ? C45 N2 C21 116.8(14) . . ? C37 N3 C34 114.7(13) . . ? C37 N3 Zn2 122.3(10) . 2_546 ? C34 N3 Zn2 122.5(10) . 2_546 ? C17 N4 C39 116.9(12) . . ? C17 N4 Zn3 120.5(9) . . ? C39 N4 Zn3 122.2(9) . . ? C12 N5 C26 116.3(11) . . ? C12 N5 Zn1 124.0(9) . . ? C26 N5 Zn1 119.5(8) . . ? C46 N6 C1 116.0(12) . . ? C46 N6 Zn3 122.3(9) . 2_645 ? C1 N6 Zn3 120.8(9) . 2_645 ? C44 N7 C43 115.8(12) . . ? C44 N7 Zn1 122.4(9) . . ? C43 N7 Zn1 121.5(9) . . ? C31 N8 C42 116.1(13) . . ? C6 O1 Zn2 110.6(8) . . ? C5 O2 Zn2 113.8(8) . . ? C6 O3 Zn1 108.3(8) . 1_565 ? C5 O4 Zn1 110.8(8) . 1_565 ? C3 O5 Zn2 110.2(7) . . ? C2 O6 Zn2 109.5(7) . . ? C3 O7 Zn3 112.9(8) . . ? C2 O8 Zn3 112.0(8) . . ? C7 O9 Zn3 108.4(8) . . ? C4 O10 Zn3 108.8(7) . . ? C7 O11 Zn1 110.7(8) . . ? C4 O12 Zn1 110.6(8) . . ? O11 Zn1 O12 80.7(3) . . ? O11 Zn1 O3 96.6(4) . 1_545 ? O12 Zn1 O3 169.7(4) . 1_545 ? O11 Zn1 O4 170.5(4) . 1_545 ? O12 Zn1 O4 97.9(3) . 1_545 ? O3 Zn1 O4 83.2(4) 1_545 1_545 ? O11 Zn1 N5 99.3(4) . . ? O12 Zn1 N5 99.3(4) . . ? O3 Zn1 N5 90.9(4) 1_545 . ? O4 Zn1 N5 90.2(4) 1_545 . ? O11 Zn1 N7 86.4(4) . . ? O12 Zn1 N7 86.5(4) . . ? O3 Zn1 N7 83.5(4) 1_545 . ? O4 Zn1 N7 84.1(4) 1_545 . ? N5 Zn1 N7 172.4(4) . . ? O6 Zn2 O1 174.0(4) . . ? O6 Zn2 O2 97.0(4) . . ? O1 Zn2 O2 80.4(4) . . ? O6 Zn2 O5 83.7(3) . . ? O1 Zn2 O5 98.1(4) . . ? O2 Zn2 O5 171.5(4) . . ? O6 Zn2 N3 95.7(4) . 2_556 ? O1 Zn2 N3 89.7(4) . 2_556 ? O2 Zn2 N3 90.3(4) . 2_556 ? O5 Zn2 N3 98.1(4) . 2_556 ? O6 Zn2 N1 89.8(4) . . ? O1 Zn2 N1 84.6(4) . . ? O2 Zn2 N1 83.8(4) . . ? O5 Zn2 N1 87.8(4) . . ? N3 Zn2 N1 172.4(5) 2_556 . ? O7 Zn3 O10 177.8(4) . . ? O7 Zn3 O8 80.0(4) . . ? O10 Zn3 O8 98.1(4) . . ? O7 Zn3 O9 98.4(3) . . ? O10 Zn3 O9 83.5(3) . . ? O8 Zn3 O9 177.6(4) . . ? O7 Zn3 N6 86.5(4) . 2_655 ? O10 Zn3 N6 92.2(4) . 2_655 ? O8 Zn3 N6 86.6(4) . 2_655 ? O9 Zn3 N6 91.5(4) . 2_655 ? O7 Zn3 N4 91.4(4) . . ? O10 Zn3 N4 89.8(4) . . ? O8 Zn3 N4 92.3(4) . . ? O9 Zn3 N4 89.5(4) . . ? N6 Zn3 N4 177.8(4) 2_655 . ? 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 O8 C2 C3 O7 2.4(15) . . . . ? O6 C2 C3 O7 -175.0(10) . . . . ? O8 C2 C3 O5 179.3(10) . . . . ? O6 C2 C3 O5 1.9(14) . . . . ? O2 C5 C6 O1 -2.4(17) . . . . ? O4 C5 C6 O1 176.1(11) . . . . ? O2 C5 C6 O3 177.9(11) . . . . ? O4 C5 C6 O3 -3.7(17) . . . . ? O12 C4 C7 O11 -1.6(16) . . . . ? O10 C4 C7 O11 178.6(10) . . . . ? O12 C4 C7 O9 177.4(10) . . . . ? O10 C4 C7 O9 -2.4(16) . . . . ? C17 C13 C14 C27 0(2) . . . . ? C17 C13 C14 C11 -176.3(15) . . . . ? C25 C11 C14 C27 -33(2) . . . . ? C20 C11 C14 C27 143.8(16) . . . . ? C25 C11 C14 C13 143.9(16) . . . . ? C20 C11 C14 C13 -40(2) . . . . ? C36 C8 C15 C40 154.4(18) . . . . ? C41 C8 C15 C40 -20(2) . . . . ? C36 C8 C15 C35 -30(2) . . . . ? C41 C8 C15 C35 155.3(17) . . . . ? C22 C10 C16 C46 11(2) . . . . ? C23 C10 C16 C46 -176.8(15) . . . . ? C14 C13 C17 N4 1(3) . . . . ? C25 C11 C20 C37 0(2) . . . . ? C14 C11 C20 C37 -177.0(15) . . . . ? C28 C18 C21 N2 8(3) . . . . ? N6 C1 C22 C10 -2(3) . . . . ? C16 C10 C22 C1 -6(2) . . . . ? C23 C10 C22 C1 -178.1(14) . . . . ? C26 C19 C23 C24 -4(2) . . . . ? C26 C19 C23 C10 -179.7(15) . . . . ? C16 C10 C23 C19 -144.5(17) . . . . ? C22 C10 C23 C19 27(2) . . . . ? C16 C10 C23 C24 39(2) . . . . ? C22 C10 C23 C24 -149.3(16) . . . . ? N5 C12 C24 C23 -9(3) . . . . ? C19 C23 C24 C12 6(2) . . . . ? C10 C23 C24 C12 -178.1(15) . . . . ? C20 C11 C25 C34 3(2) . . . . ? C14 C11 C25 C34 179.4(15) . . . . ? C23 C19 C26 N5 4(3) . . . . ? C13 C14 C27 C39 2(2) . . . . ? C11 C14 C27 C39 178.6(15) . . . . ? C21 C18 C28 C38 -3(2) . . . . ? C21 C18 C28 C9 179.6(15) . . . . ? C33 C9 C28 C18 -149.6(17) . . . . ? C29 C9 C28 C18 26(2) . . . . ? C33 C9 C28 C38 33(2) . . . . ? C29 C9 C28 C38 -152.0(16) . . . . ? C33 C9 C29 C30 1(2) . . . . ? C28 C9 C29 C30 -174.5(15) . . . . ? C9 C29 C30 N1 -2(3) . . . . ? N1 C32 C33 C9 -8(3) . . . . ? C29 C9 C33 C32 3(2) . . . . ? C28 C9 C33 C32 178.9(16) . . . . ? C11 C25 C34 N3 -5(2) . . . . ? C40 C15 C35 C42 -2(2) . . . . ? C8 C15 C35 C42 -177.7(15) . . . . ? C41 C8 C36 C44 -4(3) . . . . ? C15 C8 C36 C44 -179.5(17) . . . . ? C11 C20 C37 N3 -1(3) . . . . ? C18 C28 C38 C45 1(2) . . . . ? C9 C28 C38 C45 178.7(15) . . . . ? C14 C27 C39 N4 -6(2) . . . . ? N8 C31 C40 C15 -3(2) . . . . ? C35 C15 C40 C31 4(2) . . . . ? C8 C15 C40 C31 -179.9(14) . . . . ? C36 C8 C41 C43 6(3) . . . . ? C15 C8 C41 C43 -179.4(17) . . . . ? C15 C35 C42 N8 -2(3) . . . . ? C8 C41 C43 N7 -4(3) . . . . ? C8 C36 C44 N7 2(3) . . . . ? C28 C38 C45 N2 -4(3) . . . . ? C10 C16 C46 N6 -9(3) . . . . ? C29 C30 N1 C32 -2(3) . . . . ? C29 C30 N1 Zn2 164.7(14) . . . . ? C33 C32 N1 C30 7(3) . . . . ? C33 C32 N1 Zn2 -160.0(15) . . . . ? C38 C45 N2 C21 9(2) . . . . ? C18 C21 N2 C45 -10(2) . . . . ? C20 C37 N3 C34 -1(2) . . . . ? C20 C37 N3 Zn2 171.8(14) . . . 2_546 ? C25 C34 N3 C37 3(2) . . . . ? C25 C34 N3 Zn2 -169.3(12) . . . 2_546 ? C13 C17 N4 C39 -5(2) . . . . ? C13 C17 N4 Zn3 167.4(14) . . . . ? C27 C39 N4 C17 7(2) . . . . ? C27 C39 N4 Zn3 -164.9(12) . . . . ? C24 C12 N5 C26 9(2) . . . . ? C24 C12 N5 Zn1 -175.7(14) . . . . ? C19 C26 N5 C12 -6(2) . . . . ? C19 C26 N5 Zn1 178.3(14) . . . . ? C16 C46 N6 C1 1(2) . . . . ? C16 C46 N6 Zn3 170.9(13) . . . 2_645 ? C22 C1 N6 C46 4(2) . . . . ? C22 C1 N6 Zn3 -165.3(13) . . . 2_645 ? C36 C44 N7 C43 0(3) . . . . ? C36 C44 N7 Zn1 -174.8(15) . . . . ? C41 C43 N7 C44 1(3) . . . . ? C41 C43 N7 Zn1 176.1(15) . . . . ? C40 C31 N8 C42 0(2) . . . . ? C35 C42 N8 C31 3(2) . . . . ? O3 C6 O1 Zn2 -173.6(9) . . . . ? C5 C6 O1 Zn2 6.6(13) . . . . ? O4 C5 O2 Zn2 178.3(10) . . . . ? C6 C5 O2 Zn2 -3.4(14) . . . . ? O1 C6 O3 Zn1 -169.4(10) . . . 1_565 ? C5 C6 O3 Zn1 10.4(13) . . . 1_565 ? O2 C5 O4 Zn1 172.8(11) . . . 1_565 ? C6 C5 O4 Zn1 -5.4(13) . . . 1_565 ? O7 C3 O5 Zn2 167.4(10) . . . . ? C2 C3 O5 Zn2 -9.2(11) . . . . ? O8 C2 O6 Zn2 -170.6(9) . . . . ? C3 C2 O6 Zn2 6.5(11) . . . . ? O5 C3 O7 Zn3 -167.9(9) . . . . ? C2 C3 O7 Zn3 8.7(12) . . . . ? O6 C2 O8 Zn3 165.3(9) . . . . ? C3 C2 O8 Zn3 -11.9(11) . . . . ? O11 C7 O9 Zn3 -173.7(9) . . . . ? C4 C7 O9 Zn3 7.4(12) . . . . ? O12 C4 O10 Zn3 176.0(9) . . . . ? C7 C4 O10 Zn3 -4.2(12) . . . . ? O9 C7 O11 Zn1 172.4(9) . . . . ? C4 C7 O11 Zn1 -8.6(13) . . . . ? O10 C4 O12 Zn1 -169.4(9) . . . . ? C7 C4 O12 Zn1 10.8(12) . . . . ? C7 O11 Zn1 O12 10.8(8) . . . . ? C7 O11 Zn1 O3 -159.1(8) . . . 1_545 ? C7 O11 Zn1 O4 -71(2) . . . 1_545 ? C7 O11 Zn1 N5 108.9(8) . . . . ? C7 O11 Zn1 N7 -76.2(8) . . . . ? C4 O12 Zn1 O11 -11.7(8) . . . . ? C4 O12 Zn1 O3 64(2) . . . 1_545 ? C4 O12 Zn1 O4 158.8(8) . . . 1_545 ? C4 O12 Zn1 N5 -109.7(8) . . . . ? C4 O12 Zn1 N7 75.3(8) . . . . ? C12 N5 Zn1 O11 -149.6(12) . . . . ? C26 N5 Zn1 O11 25.7(12) . . . . ? C12 N5 Zn1 O12 -67.6(12) . . . . ? C26 N5 Zn1 O12 107.7(11) . . . . ? C12 N5 Zn1 O3 113.6(12) . . . 1_545 ? C26 N5 Zn1 O3 -71.1(11) . . . 1_545 ? C12 N5 Zn1 O4 30.4(12) . . . 1_545 ? C26 N5 Zn1 O4 -154.3(11) . . . 1_545 ? C12 N5 Zn1 N7 72(3) . . . . ? C26 N5 Zn1 N7 -113(3) . . . . ? C44 N7 Zn1 O11 -47.3(13) . . . . ? C43 N7 Zn1 O11 137.9(13) . . . . ? C44 N7 Zn1 O12 -128.1(14) . . . . ? C43 N7 Zn1 O12 57.0(13) . . . . ? C44 N7 Zn1 O3 49.8(13) . . . 1_545 ? C43 N7 Zn1 O3 -125.1(14) . . . 1_545 ? C44 N7 Zn1 O4 133.6(14) . . . 1_545 ? C43 N7 Zn1 O4 -41.3(13) . . . 1_545 ? C44 N7 Zn1 N5 92(3) . . . . ? C43 N7 Zn1 N5 -83(3) . . . . ? C2 O6 Zn2 O1 99(4) . . . . ? C2 O6 Zn2 O2 162.7(7) . . . . ? C2 O6 Zn2 O5 -8.8(7) . . . . ? C2 O6 Zn2 N3 -106.3(8) . . . 2_556 ? C2 O6 Zn2 N1 79.0(8) . . . . ? C6 O1 Zn2 O6 58(4) . . . . ? C6 O1 Zn2 O2 -6.3(8) . . . . ? C6 O1 Zn2 O5 165.2(8) . . . . ? C6 O1 Zn2 N3 -96.7(9) . . . 2_556 ? C6 O1 Zn2 N1 78.3(9) . . . . ? C5 O2 Zn2 O6 -169.3(9) . . . . ? C5 O2 Zn2 O1 5.3(9) . . . . ? C5 O2 Zn2 O5 -75(3) . . . . ? C5 O2 Zn2 N3 95.0(9) . . . 2_556 ? C5 O2 Zn2 N1 -80.2(9) . . . . ? C3 O5 Zn2 O6 10.0(7) . . . . ? C3 O5 Zn2 O1 -164.3(7) . . . . ? C3 O5 Zn2 O2 -85(3) . . . . ? C3 O5 Zn2 N3 104.8(8) . . . 2_556 ? C3 O5 Zn2 N1 -80.1(8) . . . . ? C30 N1 Zn2 O6 43.3(13) . . . . ? C32 N1 Zn2 O6 -150.5(13) . . . . ? C30 N1 Zn2 O1 -134.6(13) . . . . ? C32 N1 Zn2 O1 31.6(13) . . . . ? C30 N1 Zn2 O2 -53.7(12) . . . . ? C32 N1 Zn2 O2 112.4(13) . . . . ? C30 N1 Zn2 O5 127.1(13) . . . . ? C32 N1 Zn2 O5 -66.8(13) . . . . ? C30 N1 Zn2 N3 -93(4) . . . 2_556 ? C32 N1 Zn2 N3 73(4) . . . 2_556 ? C3 O7 Zn3 O10 21(9) . . . . ? C3 O7 Zn3 O8 -11.4(8) . . . . ? C3 O7 Zn3 O9 166.8(8) . . . . ? C3 O7 Zn3 N6 75.8(8) . . . 2_655 ? C3 O7 Zn3 N4 -103.4(8) . . . . ? C4 O10 Zn3 O7 152(9) . . . . ? C4 O10 Zn3 O8 -175.6(7) . . . . ? C4 O10 Zn3 O9 6.2(7) . . . . ? C4 O10 Zn3 N6 97.5(8) . . . 2_655 ? C4 O10 Zn3 N4 -83.4(8) . . . . ? C2 O8 Zn3 O7 12.6(8) . . . . ? C2 O8 Zn3 O10 -166.1(8) . . . . ? C2 O8 Zn3 O9 -35(9) . . . . ? C2 O8 Zn3 N6 -74.4(8) . . . 2_655 ? C2 O8 Zn3 N4 103.7(8) . . . . ? C7 O9 Zn3 O7 174.0(7) . . . . ? C7 O9 Zn3 O10 -7.3(8) . . . . ? C7 O9 Zn3 O8 -139(8) . . . . ? C7 O9 Zn3 N6 -99.4(8) . . . 2_655 ? C7 O9 Zn3 N4 82.6(8) . . . . ? C17 N4 Zn3 O7 -29.3(12) . . . . ? C39 N4 Zn3 O7 142.7(11) . . . . ? C17 N4 Zn3 O10 152.5(12) . . . . ? C39 N4 Zn3 O10 -35.4(11) . . . . ? C17 N4 Zn3 O8 -109.3(12) . . . . ? C39 N4 Zn3 O8 62.7(11) . . . . ? C17 N4 Zn3 O9 69.1(12) . . . . ? C39 N4 Zn3 O9 -118.9(11) . . . . ? C17 N4 Zn3 N6 -50(11) . . . 2_655 ? C39 N4 Zn3 N6 122(11) . . . 2_655 ? _diffrn_measured_fraction_theta_max 0.942 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.942 _refine_diff_density_max 2.605 _refine_diff_density_min -2.104 _refine_diff_density_rms 0.174