# Electronic Supplementary Material (ESI) for Chemical Communications # This journal is © The Royal Society of Chemistry 2012 data_global _journal_name_full Chem.Commun. _journal_coden_cambridge 0182 _journal_year ? _journal_volume ? _journal_page_first ? _publ_contact_author_name 'Zhongmin Su' _publ_contact_author_email 'zmsu@nenu.edu.cn, zmsu@hotmail.com' loop_ _publ_author_name 'Zhongmin Su' 'Ya-Qian Lan' 'Wen-Wen He' data_IFMC-15 _database_code_depnum_ccdc_archive 'CCDC 884014' #TrackingRef '- cif.cif' _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C60 H80 N9 O23 Zn4' _chemical_formula_weight 1556.81 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' 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' N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting 'MONOCLINIC ' _symmetry_space_group_name_H-M 'P 1 21/n 1' _symmetry_space_group_name_Hall -P_2yn loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 10.2830(11) _cell_length_b 27.339(3) _cell_length_c 27.2460(16) _cell_angle_alpha 90.00 _cell_angle_beta 92.806(2) _cell_angle_gamma 90.00 _cell_volume 7650.4(12) _cell_formula_units_Z 4 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used 98 _cell_measurement_theta_min 1.49 _cell_measurement_theta_max 25.10 _exptl_crystal_description block _exptl_crystal_colour yellow _exptl_crystal_size_max 0.32 _exptl_crystal_size_mid 0.28 _exptl_crystal_size_min 0.26 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.352 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 3228 _exptl_absorpt_coefficient_mu 1.313 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.663 _exptl_absorpt_correction_T_max 0.710 _exptl_absorpt_process_details 'SADABS (Sheldrick, 1996)' _exptl_special_details ; ? ; _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.71069 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'Bruker APEX CCD area-detector' _diffrn_measurement_method '\w scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number 0 _diffrn_standards_interval_count 0 _diffrn_standards_interval_time 0 _diffrn_standards_decay_% 0 _diffrn_reflns_number 38450 _diffrn_reflns_av_R_equivalents 0.0869 _diffrn_reflns_av_sigmaI/netI 0.1256 _diffrn_reflns_limit_h_min -12 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_k_min -32 _diffrn_reflns_limit_k_max 21 _diffrn_reflns_limit_l_min -31 _diffrn_reflns_limit_l_max 32 _diffrn_reflns_theta_min 1.49 _diffrn_reflns_theta_max 25.10 _reflns_number_total 13550 _reflns_number_gt 7624 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'SMART (Bruker, 1997)' _computing_cell_refinement SMART _computing_data_reduction 'SAINT (Bruker, 1999)' _computing_structure_solution 'SHELXS-97(Sheldrick, 2008)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 2008)' _computing_molecular_graphics 'Diamond (Brandenburg and Putz, 2008)' _computing_publication_material SHELXL-97 _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^)+(0.0243P)^2^+0.0000P] 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 13550 _refine_ls_number_parameters 478 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0739 _refine_ls_R_factor_gt 0.0394 _refine_ls_wR_factor_ref 0.0763 _refine_ls_wR_factor_gt 0.0719 _refine_ls_goodness_of_fit_ref 0.777 _refine_ls_restrained_S_all 0.777 _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 -0.18179(4) 0.301946(14) 0.197137(13) 0.02202(10) Uani 1 1 d . . . Zn2 Zn -0.04741(4) 0.321771(15) 0.099070(14) 0.02543(11) Uani 1 1 d . . . Zn3 Zn 0.10928(4) 0.308340(14) 0.203769(13) 0.02230(10) Uani 1 1 d . . . Zn4 Zn -0.04005(4) 0.406296(14) 0.181665(14) 0.02499(11) Uani 1 1 d . . . C5 C 0.6891(3) 0.28261(13) 0.10011(13) 0.0265(9) Uani 1 1 d . . . C1 C 0.2061(3) 0.28806(13) 0.09723(14) 0.0318(9) Uani 1 1 d . . . O13 O -0.7646(2) 0.35939(8) 0.22494(8) 0.0326(6) Uani 1 1 d . . . C20 C -0.7740(3) 0.40497(13) 0.22244(12) 0.0278(9) Uani 1 1 d . . . C21 C -0.0804(4) 0.29645(15) 0.29076(14) 0.0429(11) Uani 1 1 d . . . O15 O 0.6875(2) 0.28140(9) 0.14640(8) 0.0355(6) Uani 1 1 d . . . O12 O -0.1886(2) 0.43338(8) 0.21292(9) 0.0383(7) Uani 1 1 d . . . O3 O -0.0345(3) 0.44238(10) 0.11918(10) 0.0562(9) Uani 1 1 d . . . O6 O 0.1200(3) 0.23978(9) 0.22227(11) 0.0575(8) Uani 1 1 d . . . O1 O -0.04118(19) 0.33756(7) 0.16762(7) 0.0193(5) Uani 1 1 d . . . O9 O -0.1775(3) 0.28086(11) 0.26509(9) 0.0550(8) Uani 1 1 d . . . O4 O 0.1008(2) 0.28889(9) 0.07214(8) 0.0370(7) Uani 1 1 d . . . O16 O 0.7885(2) 0.29117(9) 0.07619(8) 0.0348(6) Uani 1 1 d . . . O14 O -0.8769(2) 0.42914(8) 0.21444(9) 0.0394(7) Uani 1 1 d . . . C19 C -0.5321(3) 0.40941(12) 0.22364(12) 0.0291(9) Uani 1 1 d . . . H19 H -0.5324 0.3762 0.2163 0.035 Uiso 1 1 calc R . . C18 C -0.6495(3) 0.43296(12) 0.22998(13) 0.0284(9) Uani 1 1 d . . . O10 O 0.0100(3) 0.32020(11) 0.27492(8) 0.0567(8) Uani 1 1 d . . . O11 O -0.2993(2) 0.36291(9) 0.21121(10) 0.0503(8) Uani 1 1 d . . . C4 C 0.5638(3) 0.27432(13) 0.07290(11) 0.0263(9) Uani 1 1 d . . . C3 C 0.4477(3) 0.28130(13) 0.09591(12) 0.0311(9) Uani 1 1 d . . . H3 H 0.4505 0.2891 0.1292 0.037 Uiso 1 1 calc R . . O5 O 0.2202(2) 0.29736(11) 0.14171(9) 0.0525(8) Uani 1 1 d . . . O7 O -0.0719(3) 0.23152(9) 0.18167(11) 0.0620(9) Uani 1 1 d . . . C16 C -0.5307(3) 0.50814(12) 0.24682(14) 0.0352(10) Uani 1 1 d . . . C7 C 0.4371(3) 0.25537(14) -0.00258(12) 0.0357(10) Uani 1 1 d . . . C6 C 0.5578(3) 0.26155(13) 0.02346(12) 0.0365(10) Uani 1 1 d . . . H6 H 0.6346 0.2570 0.0073 0.044 Uiso 1 1 calc R . . C14 C -0.4153(3) 0.43382(12) 0.22792(12) 0.0262(9) Uani 1 1 d . . . C27 C 0.0235(4) 0.29921(18) 0.37546(14) 0.0702(16) Uani 1 1 d . . . H27 H 0.0891 0.3186 0.3634 0.084 Uiso 1 1 calc R . . C8 C 0.3232(3) 0.26447(14) 0.02192(12) 0.0386(10) Uani 1 1 d . . . H8 H 0.2429 0.2620 0.0049 0.046 Uiso 1 1 calc R . . C15 C -0.4160(3) 0.48369(12) 0.23930(13) 0.0383(10) Uani 1 1 d . . . H15 H -0.3377 0.5007 0.2419 0.046 Uiso 1 1 calc R . . C2 C 0.3285(3) 0.27708(13) 0.07103(12) 0.0308(9) Uani 1 1 d . . . C28 C 0.0225(5) 0.21473(14) 0.20516(16) 0.0473(12) Uani 1 1 d . . . C13 C -0.2909(3) 0.40782(14) 0.21639(12) 0.0298(9) Uani 1 1 d . . . O2 O -0.0478(3) 0.38373(10) 0.06162(9) 0.0565(9) Uani 1 1 d . . . C32 C 0.0303(4) 0.06105(13) 0.24160(16) 0.0453(11) Uani 1 1 d . . . C26 C 0.0264(4) 0.28639(18) 0.42525(14) 0.0650(15) Uani 1 1 d . . . H26 H 0.0950 0.2972 0.4459 0.078 Uiso 1 1 calc R . . C25 C -0.0689(4) 0.25840(16) 0.44418(13) 0.0453(11) Uani 1 1 d . . . C17 C -0.6469(3) 0.48262(13) 0.24130(13) 0.0363(10) Uani 1 1 d . . . H17 H -0.7249 0.4990 0.2452 0.044 Uiso 1 1 calc R . . C29 C 0.0268(4) 0.16106(13) 0.21784(16) 0.0454(11) Uani 1 1 d . . . C24 C -0.1653(4) 0.24208(18) 0.41232(14) 0.0720(17) Uani 1 1 d . . . H24 H -0.2302 0.2222 0.4241 0.086 Uiso 1 1 calc R . . C33 C 0.1292(4) 0.09166(14) 0.25697(18) 0.0716(16) Uani 1 1 d . . . H33 H 0.2004 0.0789 0.2750 0.086 Uiso 1 1 calc R . . C22 C -0.0761(4) 0.28315(16) 0.34483(13) 0.0490(12) Uani 1 1 d . . . C34 C 0.1260(4) 0.14097(14) 0.24632(18) 0.0710(16) Uani 1 1 d . . . H34 H 0.1929 0.1610 0.2588 0.085 Uiso 1 1 calc R . . C10 C -0.0172(4) 0.46487(16) 0.03584(16) 0.0514(12) Uani 1 1 d . . . C11 C -0.0166(5) 0.45195(17) -0.01231(16) 0.0802(17) Uani 1 1 d . . . H11 H -0.0276 0.4193 -0.0211 0.096 Uiso 1 1 calc R . . C30 C -0.0707(4) 0.13118(15) 0.20156(18) 0.0700(15) Uani 1 1 d . . . H30 H -0.1394 0.1439 0.1821 0.084 Uiso 1 1 calc R . . C31 C -0.0697(4) 0.08171(14) 0.21354(18) 0.0691(16) Uani 1 1 d . . . H31 H -0.1387 0.0621 0.2022 0.083 Uiso 1 1 calc R . . C23 C -0.1701(4) 0.25393(18) 0.36336(14) 0.0686(16) Uani 1 1 d . . . H23 H -0.2375 0.2421 0.3427 0.082 Uiso 1 1 calc R . . C12 C -0.0001(5) 0.48639(17) -0.04823(16) 0.0861(19) Uani 1 1 d . . . H12 H -0.0004 0.4769 -0.0810 0.103 Uiso 1 1 calc R . . C9 C -0.0340(4) 0.42745(17) 0.07529(17) 0.0507(12) 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 0.0202(2) 0.0257(2) 0.0200(2) 0.00460(19) -0.00042(17) -0.00330(19) Zn2 0.0212(2) 0.0329(3) 0.0223(2) 0.0032(2) 0.00251(17) -0.00160(19) Zn3 0.0202(2) 0.0191(2) 0.0273(2) 0.0053(2) -0.00134(17) -0.00154(18) Zn4 0.0214(2) 0.0212(2) 0.0325(2) 0.0042(2) 0.00291(18) -0.00050(19) C5 0.016(2) 0.036(2) 0.028(2) -0.0046(19) 0.0008(17) 0.0004(17) C1 0.018(2) 0.043(3) 0.034(2) -0.001(2) 0.0074(18) -0.0013(18) O13 0.0233(15) 0.0256(15) 0.0486(16) -0.0063(13) -0.0039(12) -0.0071(12) C20 0.025(2) 0.023(2) 0.036(2) -0.0055(19) 0.0048(17) 0.0019(18) C21 0.044(3) 0.057(3) 0.029(2) 0.007(2) 0.005(2) -0.002(2) O15 0.0297(16) 0.0543(18) 0.0222(14) -0.0057(13) -0.0020(11) -0.0113(13) O12 0.0159(15) 0.0306(15) 0.0693(19) -0.0096(14) 0.0121(13) -0.0019(12) O3 0.094(3) 0.0400(19) 0.0350(17) 0.0198(15) 0.0109(16) -0.0053(16) O6 0.046(2) 0.0306(17) 0.095(2) 0.0207(16) -0.0036(17) 0.0013(14) O1 0.0192(13) 0.0197(13) 0.0192(12) 0.0016(10) 0.0016(10) -0.0009(10) O9 0.049(2) 0.086(2) 0.0297(16) 0.0227(16) -0.0022(14) -0.0079(17) O4 0.0170(15) 0.0624(19) 0.0314(15) -0.0082(13) -0.0011(12) 0.0028(13) O16 0.0208(15) 0.0576(18) 0.0257(14) -0.0026(13) 0.0001(11) -0.0050(13) O14 0.0217(16) 0.0320(15) 0.0640(18) -0.0059(14) -0.0021(13) -0.0033(12) C19 0.023(2) 0.0148(19) 0.050(2) -0.0069(18) 0.0046(17) -0.0006(17) C18 0.013(2) 0.017(2) 0.054(3) -0.0030(19) 0.0024(17) -0.0025(16) O10 0.070(2) 0.080(2) 0.0213(15) 0.0077(15) 0.0097(14) -0.0243(18) O11 0.0325(17) 0.0207(16) 0.099(2) -0.0168(16) 0.0161(15) 0.0050(13) C4 0.015(2) 0.046(2) 0.0176(19) -0.0027(18) -0.0026(15) 0.0034(17) C3 0.024(2) 0.050(3) 0.0186(19) -0.0047(19) -0.0023(16) 0.0021(19) O5 0.0269(16) 0.100(3) 0.0311(16) -0.0181(17) 0.0077(12) 0.0061(15) O7 0.072(2) 0.0255(17) 0.086(2) 0.0119(16) -0.0213(18) 0.0097(16) C16 0.017(2) 0.015(2) 0.073(3) -0.011(2) 0.0041(19) 0.0020(16) C7 0.022(2) 0.065(3) 0.020(2) -0.012(2) -0.0001(17) 0.0074(19) C6 0.017(2) 0.064(3) 0.028(2) -0.010(2) 0.0025(17) 0.0006(19) C14 0.012(2) 0.022(2) 0.045(2) -0.0068(18) 0.0059(16) 0.0005(16) C27 0.052(3) 0.127(5) 0.031(3) 0.024(3) -0.002(2) -0.033(3) C8 0.018(2) 0.070(3) 0.028(2) -0.010(2) -0.0007(17) 0.002(2) C15 0.016(2) 0.023(2) 0.076(3) -0.013(2) 0.0103(19) -0.0037(17) C2 0.018(2) 0.050(3) 0.024(2) -0.0067(19) 0.0005(16) 0.0024(18) C28 0.048(3) 0.020(2) 0.073(3) 0.007(2) -0.005(2) 0.005(2) C13 0.020(2) 0.030(2) 0.039(2) -0.007(2) 0.0005(17) 0.0073(18) O2 0.092(3) 0.0360(18) 0.0412(18) 0.0212(15) 0.0020(16) -0.0083(17) C32 0.022(2) 0.021(2) 0.092(3) 0.019(2) -0.002(2) 0.0014(18) C26 0.042(3) 0.127(5) 0.025(2) 0.020(3) -0.005(2) -0.026(3) C25 0.025(3) 0.085(3) 0.026(2) 0.012(2) -0.0010(19) 0.001(2) C17 0.020(2) 0.031(2) 0.058(3) -0.013(2) 0.0063(19) 0.0006(18) C29 0.035(3) 0.024(2) 0.077(3) 0.011(2) -0.004(2) 0.001(2) C24 0.042(3) 0.139(5) 0.035(3) 0.042(3) -0.002(2) -0.041(3) C33 0.033(3) 0.031(3) 0.147(5) 0.038(3) -0.031(3) -0.004(2) C22 0.044(3) 0.082(3) 0.020(2) 0.027(2) -0.002(2) -0.001(2) C34 0.044(3) 0.026(3) 0.141(5) 0.023(3) -0.014(3) -0.011(2) C10 0.063(3) 0.047(3) 0.045(3) 0.022(2) 0.008(2) -0.001(2) C11 0.158(6) 0.044(3) 0.040(3) 0.014(3) 0.019(3) -0.014(3) C30 0.050(3) 0.031(3) 0.125(4) 0.022(3) -0.037(3) 0.003(2) C31 0.044(3) 0.022(3) 0.137(5) 0.013(3) -0.032(3) -0.005(2) C23 0.049(3) 0.129(5) 0.027(2) 0.027(3) -0.009(2) -0.028(3) C12 0.180(6) 0.045(3) 0.034(3) 0.020(3) 0.007(3) -0.005(3) C9 0.057(3) 0.049(3) 0.047(3) 0.025(3) 0.010(2) -0.002(2) _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 1.938(2) . ? Zn1 O1 1.949(2) . ? Zn1 O15 1.962(2) 1_455 ? Zn1 O11 2.105(2) . ? Zn1 O7 2.282(3) . ? Zn1 Zn3 2.9948(6) . ? Zn1 Zn2 3.1151(5) . ? Zn2 O1 1.9150(19) . ? Zn2 O4 1.944(2) . ? Zn2 O16 1.958(2) 1_455 ? Zn2 O2 1.977(3) . ? Zn3 O6 1.943(2) . ? Zn3 O1 1.963(2) . ? Zn3 O13 1.972(2) 1_655 ? Zn3 O5 2.107(2) . ? Zn3 O10 2.258(2) . ? Zn3 Zn4 3.1308(6) . ? Zn4 O1 1.918(2) . ? Zn4 O12 1.932(2) . ? Zn4 O14 1.963(2) 1_655 ? Zn4 O3 1.971(3) . ? C5 O16 1.260(4) . ? C5 O15 1.263(4) . ? C5 C4 1.473(4) . ? C1 O5 1.240(4) . ? C1 O4 1.252(4) . ? C1 C2 1.508(4) . ? O13 C20 1.251(4) . ? O13 Zn3 1.972(2) 1_455 ? C20 O14 1.257(4) . ? C20 C18 1.497(4) . ? C21 O10 1.230(4) . ? C21 O9 1.265(4) . ? C21 C22 1.516(5) . ? O15 Zn1 1.962(2) 1_655 ? O12 C13 1.271(4) . ? O3 C9 1.264(5) . ? O6 C28 1.282(4) . ? O16 Zn2 1.958(2) 1_655 ? O14 Zn4 1.963(2) 1_455 ? C19 C14 1.374(4) . ? C19 C18 1.386(4) . ? C19 H19 0.9300 . ? C18 C17 1.392(4) . ? O11 C13 1.238(4) . ? C4 C3 1.389(4) . ? C4 C6 1.390(4) . ? C3 C2 1.376(4) . ? C3 H3 0.9300 . ? O7 C28 1.225(4) . ? C16 C15 1.379(4) . ? C16 C17 1.386(4) . ? C16 C32 1.481(4) 2_455 ? C7 C8 1.398(4) . ? C7 C6 1.409(4) . ? C7 C25 1.497(4) 4_665 ? C6 H6 0.9300 . ? C14 C15 1.398(4) . ? C14 C13 1.509(4) . ? C27 C22 1.362(5) . ? C27 C26 1.400(5) . ? C27 H27 0.9300 . ? C8 C2 1.380(4) . ? C8 H8 0.9300 . ? C15 H15 0.9300 . ? C28 C29 1.507(5) . ? O2 C9 1.258(5) . ? C32 C33 1.367(5) . ? C32 C31 1.372(5) . ? C32 C16 1.481(4) 2_445 ? C26 C25 1.364(5) . ? C26 H26 0.9300 . ? C25 C24 1.361(5) . ? C25 C7 1.497(4) 4_566 ? C17 H17 0.9300 . ? C29 C30 1.351(5) . ? C29 C34 1.367(5) . ? C24 C23 1.371(5) . ? C24 H24 0.9300 . ? C33 C34 1.379(5) . ? C33 H33 0.9300 . ? C22 C23 1.369(5) . ? C34 H34 0.9300 . ? C10 C11 1.359(5) . ? C10 C12 1.384(5) 3_565 ? C10 C9 1.500(5) . ? C11 C12 1.375(5) . ? C11 H11 0.9300 . ? C30 C31 1.391(5) . ? C30 H30 0.9300 . ? C31 H31 0.9300 . ? C23 H23 0.9300 . ? C12 C10 1.384(5) 3_565 ? C12 H12 0.9300 . ? 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 O1 124.08(10) . . ? O9 Zn1 O15 124.79(11) . 1_455 ? O1 Zn1 O15 110.40(9) . 1_455 ? O9 Zn1 O11 92.74(11) . . ? O1 Zn1 O11 97.10(9) . . ? O15 Zn1 O11 88.61(10) 1_455 . ? O9 Zn1 O7 86.40(11) . . ? O1 Zn1 O7 87.77(10) . . ? O15 Zn1 O7 87.52(10) 1_455 . ? O11 Zn1 O7 174.60(10) . . ? O9 Zn1 Zn3 89.09(8) . . ? O1 Zn1 Zn3 40.21(6) . . ? O15 Zn1 Zn3 135.00(7) 1_455 . ? O11 Zn1 Zn3 121.58(7) . . ? O7 Zn1 Zn3 63.75(7) . . ? O9 Zn1 Zn2 151.79(8) . . ? O1 Zn1 Zn2 35.91(6) . . ? O15 Zn1 Zn2 76.28(7) 1_455 . ? O11 Zn1 Zn2 107.53(8) . . ? O7 Zn1 Zn2 75.16(8) . . ? Zn3 Zn1 Zn2 63.742(13) . . ? O1 Zn2 O4 118.88(9) . . ? O1 Zn2 O16 113.20(9) . 1_455 ? O4 Zn2 O16 111.20(10) . 1_455 ? O1 Zn2 O2 108.01(10) . . ? O4 Zn2 O2 100.57(11) . . ? O16 Zn2 O2 102.81(11) 1_455 . ? O1 Zn2 Zn1 36.65(6) . . ? O4 Zn2 Zn1 129.22(7) . . ? O16 Zn2 Zn1 77.71(7) 1_455 . ? O2 Zn2 Zn1 126.99(9) . . ? O6 Zn3 O1 123.79(10) . . ? O6 Zn3 O13 125.37(11) . 1_655 ? O1 Zn3 O13 110.46(9) . 1_655 ? O6 Zn3 O5 92.56(12) . . ? O1 Zn3 O5 95.72(9) . . ? O13 Zn3 O5 87.80(10) 1_655 . ? O6 Zn3 O10 86.45(12) . . ? O1 Zn3 O10 89.65(9) . . ? O13 Zn3 O10 88.03(10) 1_655 . ? O5 Zn3 O10 174.09(10) . . ? O6 Zn3 Zn1 90.18(8) . . ? O1 Zn3 Zn1 39.88(6) . . ? O13 Zn3 Zn1 134.41(7) 1_655 . ? O5 Zn3 Zn1 121.47(7) . . ? O10 Zn3 Zn1 64.39(7) . . ? O6 Zn3 Zn4 153.67(9) . . ? O1 Zn3 Zn4 35.73(6) . . ? O13 Zn3 Zn4 76.12(7) 1_655 . ? O5 Zn3 Zn4 104.31(8) . . ? O10 Zn3 Zn4 78.71(7) . . ? Zn1 Zn3 Zn4 63.831(13) . . ? O1 Zn4 O12 117.79(9) . . ? O1 Zn4 O14 113.52(9) . 1_655 ? O12 Zn4 O14 110.72(10) . 1_655 ? O1 Zn4 O3 108.56(10) . . ? O12 Zn4 O3 104.22(11) . . ? O14 Zn4 O3 99.99(11) 1_655 . ? O1 Zn4 Zn3 36.71(6) . . ? O12 Zn4 Zn3 129.34(7) . . ? O14 Zn4 Zn3 77.55(7) 1_655 . ? O3 Zn4 Zn3 124.04(9) . . ? O16 C5 O15 124.9(3) . . ? O16 C5 C4 118.7(3) . . ? O15 C5 C4 116.4(3) . . ? O5 C1 O4 126.0(3) . . ? O5 C1 C2 116.3(3) . . ? O4 C1 C2 117.7(3) . . ? C20 O13 Zn3 129.9(2) . 1_455 ? O13 C20 O14 126.5(3) . . ? O13 C20 C18 116.0(3) . . ? O14 C20 C18 117.5(3) . . ? O10 C21 O9 125.0(4) . . ? O10 C21 C22 118.7(4) . . ? O9 C21 C22 116.2(4) . . ? C5 O15 Zn1 130.9(2) . 1_655 ? C13 O12 Zn4 119.8(2) . . ? C9 O3 Zn4 131.1(3) . . ? C28 O6 Zn3 112.8(2) . . ? Zn2 O1 Zn4 114.53(10) . . ? Zn2 O1 Zn1 107.44(9) . . ? Zn4 O1 Zn1 113.86(10) . . ? Zn2 O1 Zn3 112.68(10) . . ? Zn4 O1 Zn3 107.57(9) . . ? Zn1 O1 Zn3 99.91(9) . . ? C21 O9 Zn1 114.1(3) . . ? C1 O4 Zn2 118.4(2) . . ? C5 O16 Zn2 128.5(2) . 1_655 ? C20 O14 Zn4 127.2(2) . 1_455 ? C14 C19 C18 121.8(3) . . ? C14 C19 H19 119.1 . . ? C18 C19 H19 119.1 . . ? C19 C18 C17 118.3(3) . . ? C19 C18 C20 119.3(3) . . ? C17 C18 C20 122.4(3) . . ? C21 O10 Zn3 127.4(3) . . ? C13 O11 Zn1 140.2(2) . . ? C3 C4 C6 118.3(3) . . ? C3 C4 C5 120.2(3) . . ? C6 C4 C5 121.5(3) . . ? C2 C3 C4 122.1(3) . . ? C2 C3 H3 119.0 . . ? C4 C3 H3 119.0 . . ? C1 O5 Zn3 140.5(2) . . ? C28 O7 Zn1 127.3(3) . . ? C15 C16 C17 118.6(3) . . ? C15 C16 C32 120.8(3) . 2_455 ? C17 C16 C32 120.5(3) . 2_455 ? C8 C7 C6 118.4(3) . . ? C8 C7 C25 120.8(3) . 4_665 ? C6 C7 C25 120.8(3) . 4_665 ? C4 C6 C7 120.9(3) . . ? C4 C6 H6 119.5 . . ? C7 C6 H6 119.5 . . ? C19 C14 C15 118.6(3) . . ? C19 C14 C13 120.0(3) . . ? C15 C14 C13 121.3(3) . . ? C22 C27 C26 119.5(4) . . ? C22 C27 H27 120.2 . . ? C26 C27 H27 120.2 . . ? C2 C8 C7 120.9(3) . . ? C2 C8 H8 119.6 . . ? C7 C8 H8 119.6 . . ? C16 C15 C14 121.3(3) . . ? C16 C15 H15 119.3 . . ? C14 C15 H15 119.3 . . ? C3 C2 C8 119.4(3) . . ? C3 C2 C1 119.6(3) . . ? C8 C2 C1 121.0(3) . . ? O7 C28 O6 125.1(4) . . ? O7 C28 C29 119.8(4) . . ? O6 C28 C29 115.0(4) . . ? O11 C13 O12 126.1(3) . . ? O11 C13 C14 115.8(3) . . ? O12 C13 C14 118.0(3) . . ? C9 O2 Zn2 131.6(3) . . ? C33 C32 C31 116.4(3) . . ? C33 C32 C16 122.6(3) . 2_445 ? C31 C32 C16 121.0(3) . 2_445 ? C25 C26 C27 121.7(4) . . ? C25 C26 H26 119.2 . . ? C27 C26 H26 119.2 . . ? C24 C25 C26 117.2(3) . . ? C24 C25 C7 122.0(4) . 4_566 ? C26 C25 C7 120.7(3) . 4_566 ? C16 C17 C18 121.5(3) . . ? C16 C17 H17 119.3 . . ? C18 C17 H17 119.3 . . ? C30 C29 C34 117.7(4) . . ? C30 C29 C28 120.0(4) . . ? C34 C29 C28 122.2(4) . . ? C25 C24 C23 122.2(4) . . ? C25 C24 H24 118.9 . . ? C23 C24 H24 118.9 . . ? C32 C33 C34 121.6(4) . . ? C32 C33 H33 119.2 . . ? C34 C33 H33 119.2 . . ? C27 C22 C23 119.0(4) . . ? C27 C22 C21 120.2(4) . . ? C23 C22 C21 120.7(4) . . ? C29 C34 C33 121.4(4) . . ? C29 C34 H34 119.3 . . ? C33 C34 H34 119.3 . . ? C11 C10 C12 118.6(4) . 3_565 ? C11 C10 C9 121.4(4) . . ? C12 C10 C9 120.0(4) 3_565 . ? C10 C11 C12 121.1(4) . . ? C10 C11 H11 119.5 . . ? C12 C11 H11 119.5 . . ? C29 C30 C31 120.9(4) . . ? C29 C30 H30 119.5 . . ? C31 C30 H30 119.5 . . ? C32 C31 C30 121.9(4) . . ? C32 C31 H31 119.1 . . ? C30 C31 H31 119.1 . . ? C22 C23 C24 120.3(4) . . ? C22 C23 H23 119.9 . . ? C24 C23 H23 119.9 . . ? C11 C12 C10 120.3(4) . 3_565 ? C11 C12 H12 119.8 . . ? C10 C12 H12 119.8 3_565 . ? O2 C9 O3 125.5(4) . . ? O2 C9 C10 116.8(4) . . ? O3 C9 C10 117.6(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 O9 Zn1 Zn2 O1 -56.4(2) . . . . ? O15 Zn1 Zn2 O1 161.64(12) 1_455 . . . ? O11 Zn1 Zn2 O1 77.58(12) . . . . ? O7 Zn1 Zn2 O1 -107.29(12) . . . . ? Zn3 Zn1 Zn2 O1 -39.59(10) . . . . ? O9 Zn1 Zn2 O4 30.6(2) . . . . ? O1 Zn1 Zn2 O4 86.99(13) . . . . ? O15 Zn1 Zn2 O4 -111.37(12) 1_455 . . . ? O11 Zn1 Zn2 O4 164.57(12) . . . . ? O7 Zn1 Zn2 O4 -20.30(12) . . . . ? Zn3 Zn1 Zn2 O4 47.40(9) . . . . ? O9 Zn1 Zn2 O16 138.0(2) . . . 1_455 ? O1 Zn1 Zn2 O16 -165.55(12) . . . 1_455 ? O15 Zn1 Zn2 O16 -3.91(10) 1_455 . . 1_455 ? O11 Zn1 Zn2 O16 -87.97(10) . . . 1_455 ? O7 Zn1 Zn2 O16 87.16(10) . . . 1_455 ? Zn3 Zn1 Zn2 O16 154.86(7) . . . 1_455 ? O9 Zn1 Zn2 O2 -125.1(2) . . . . ? O1 Zn1 Zn2 O2 -68.66(15) . . . . ? O15 Zn1 Zn2 O2 92.98(13) 1_455 . . . ? O11 Zn1 Zn2 O2 8.92(13) . . . . ? O7 Zn1 Zn2 O2 -175.95(13) . . . . ? Zn3 Zn1 Zn2 O2 -108.25(11) . . . . ? O9 Zn1 Zn3 O6 57.77(13) . . . . ? O1 Zn1 Zn3 O6 -149.73(13) . . . . ? O15 Zn1 Zn3 O6 -84.52(14) 1_455 . . . ? O11 Zn1 Zn3 O6 150.42(13) . . . . ? O7 Zn1 Zn3 O6 -28.67(12) . . . . ? Zn2 Zn1 Zn3 O6 -114.36(9) . . . . ? O9 Zn1 Zn3 O1 -152.50(13) . . . . ? O15 Zn1 Zn3 O1 65.21(14) 1_455 . . . ? O11 Zn1 Zn3 O1 -59.85(13) . . . . ? O7 Zn1 Zn3 O1 121.06(12) . . . . ? Zn2 Zn1 Zn3 O1 35.37(9) . . . . ? O9 Zn1 Zn3 O13 -86.67(13) . . . 1_655 ? O1 Zn1 Zn3 O13 65.83(13) . . . 1_655 ? O15 Zn1 Zn3 O13 131.04(14) 1_455 . . 1_655 ? O11 Zn1 Zn3 O13 5.98(13) . . . 1_655 ? O7 Zn1 Zn3 O13 -173.11(13) . . . 1_655 ? Zn2 Zn1 Zn3 O13 101.20(10) . . . 1_655 ? O9 Zn1 Zn3 O5 150.88(13) . . . . ? O1 Zn1 Zn3 O5 -56.62(13) . . . . ? O15 Zn1 Zn3 O5 8.59(14) 1_455 . . . ? O11 Zn1 Zn3 O5 -116.47(13) . . . . ? O7 Zn1 Zn3 O5 64.44(12) . . . . ? Zn2 Zn1 Zn3 O5 -21.24(9) . . . . ? O9 Zn1 Zn3 O10 -28.20(12) . . . . ? O1 Zn1 Zn3 O10 124.29(12) . . . . ? O15 Zn1 Zn3 O10 -170.50(13) 1_455 . . . ? O11 Zn1 Zn3 O10 64.45(12) . . . . ? O7 Zn1 Zn3 O10 -114.64(12) . . . . ? Zn2 Zn1 Zn3 O10 159.67(8) . . . . ? O9 Zn1 Zn3 Zn4 -117.85(9) . . . . ? O1 Zn1 Zn3 Zn4 34.65(9) . . . . ? O15 Zn1 Zn3 Zn4 99.86(10) 1_455 . . . ? O11 Zn1 Zn3 Zn4 -25.19(9) . . . . ? O7 Zn1 Zn3 Zn4 155.72(8) . . . . ? Zn2 Zn1 Zn3 Zn4 70.027(13) . . . . ? O6 Zn3 Zn4 O1 -48.6(2) . . . . ? O13 Zn3 Zn4 O1 163.76(12) 1_655 . . . ? O5 Zn3 Zn4 O1 79.72(12) . . . . ? O10 Zn3 Zn4 O1 -105.48(12) . . . . ? Zn1 Zn3 Zn4 O1 -38.63(10) . . . . ? O6 Zn3 Zn4 O12 36.2(2) . . . . ? O1 Zn3 Zn4 O12 84.80(13) . . . . ? O13 Zn3 Zn4 O12 -111.44(12) 1_655 . . . ? O5 Zn3 Zn4 O12 164.52(12) . . . . ? O10 Zn3 Zn4 O12 -20.68(12) . . . . ? Zn1 Zn3 Zn4 O12 46.17(9) . . . . ? O6 Zn3 Zn4 O14 143.0(2) . . . 1_655 ? O1 Zn3 Zn4 O14 -168.48(12) . . . 1_655 ? O13 Zn3 Zn4 O14 -4.72(10) 1_655 . . 1_655 ? O5 Zn3 Zn4 O14 -88.76(10) . . . 1_655 ? O10 Zn3 Zn4 O14 86.03(10) . . . 1_655 ? Zn1 Zn3 Zn4 O14 152.89(8) . . . 1_655 ? O6 Zn3 Zn4 O3 -123.3(2) . . . . ? O1 Zn3 Zn4 O3 -74.74(14) . . . . ? O13 Zn3 Zn4 O3 89.02(12) 1_655 . . . ? O5 Zn3 Zn4 O3 4.99(13) . . . . ? O10 Zn3 Zn4 O3 179.78(13) . . . . ? Zn1 Zn3 Zn4 O3 -113.37(10) . . . . ? Zn3 O13 C20 O14 15.2(6) 1_455 . . . ? Zn3 O13 C20 C18 -165.1(2) 1_455 . . . ? O16 C5 O15 Zn1 11.7(6) . . . 1_655 ? C4 C5 O15 Zn1 -167.0(2) . . . 1_655 ? O1 Zn4 O12 C13 -11.1(3) . . . . ? O14 Zn4 O12 C13 -144.1(2) 1_655 . . . ? O3 Zn4 O12 C13 109.2(3) . . . . ? Zn3 Zn4 O12 C13 -53.4(3) . . . . ? O1 Zn4 O3 C9 1.3(4) . . . . ? O12 Zn4 O3 C9 -125.0(4) . . . . ? O14 Zn4 O3 C9 120.4(4) 1_655 . . . ? Zn3 Zn4 O3 C9 38.8(4) . . . . ? O1 Zn3 O6 C28 5.0(3) . . . . ? O13 Zn3 O6 C28 177.2(3) 1_655 . . . ? O5 Zn3 O6 C28 -93.7(3) . . . . ? O10 Zn3 O6 C28 92.2(3) . . . . ? Zn1 Zn3 O6 C28 27.8(3) . . . . ? Zn4 Zn3 O6 C28 36.7(4) . . . . ? O4 Zn2 O1 Zn4 114.53(12) . . . . ? O16 Zn2 O1 Zn4 -112.16(12) 1_455 . . . ? O2 Zn2 O1 Zn4 0.98(14) . . . . ? Zn1 Zn2 O1 Zn4 -127.55(15) . . . . ? O4 Zn2 O1 Zn1 -117.92(11) . . . . ? O16 Zn2 O1 Zn1 15.38(13) 1_455 . . . ? O2 Zn2 O1 Zn1 128.53(12) . . . . ? O4 Zn2 O1 Zn3 -8.85(15) . . . . ? O16 Zn2 O1 Zn3 124.46(11) 1_455 . . . ? O2 Zn2 O1 Zn3 -122.40(12) . . . . ? Zn1 Zn2 O1 Zn3 109.07(13) . . . . ? O12 Zn4 O1 Zn2 114.46(12) . . . . ? O14 Zn4 O1 Zn2 -113.81(12) 1_655 . . . ? O3 Zn4 O1 Zn2 -3.57(15) . . . . ? Zn3 Zn4 O1 Zn2 -126.08(15) . . . . ? O12 Zn4 O1 Zn1 -9.74(14) . . . . ? O14 Zn4 O1 Zn1 122.00(11) 1_655 . . . ? O3 Zn4 O1 Zn1 -127.77(12) . . . . ? Zn3 Zn4 O1 Zn1 109.72(13) . . . . ? O12 Zn4 O1 Zn3 -119.46(11) . . . . ? O14 Zn4 O1 Zn3 12.28(13) 1_655 . . . ? O3 Zn4 O1 Zn3 122.51(11) . . . . ? O9 Zn1 O1 Zn2 151.60(12) . . . . ? O15 Zn1 O1 Zn2 -19.05(13) 1_455 . . . ? O11 Zn1 O1 Zn2 -110.21(11) . . . . ? O7 Zn1 O1 Zn2 67.46(11) . . . . ? Zn3 Zn1 O1 Zn2 117.72(13) . . . . ? O9 Zn1 O1 Zn4 -80.47(15) . . . . ? O15 Zn1 O1 Zn4 108.88(11) 1_455 . . . ? O11 Zn1 O1 Zn4 17.72(12) . . . . ? O7 Zn1 O1 Zn4 -164.60(11) . . . . ? Zn3 Zn1 O1 Zn4 -114.35(13) . . . . ? Zn2 Zn1 O1 Zn4 127.93(15) . . . . ? O9 Zn1 O1 Zn3 33.88(15) . . . . ? O15 Zn1 O1 Zn3 -136.77(9) 1_455 . . . ? O11 Zn1 O1 Zn3 132.07(10) . . . . ? O7 Zn1 O1 Zn3 -50.25(10) . . . . ? Zn2 Zn1 O1 Zn3 -117.72(13) . . . . ? O6 Zn3 O1 Zn2 -76.42(15) . . . . ? O13 Zn3 O1 Zn2 110.32(11) 1_655 . . . ? O5 Zn3 O1 Zn2 20.54(12) . . . . ? O10 Zn3 O1 Zn2 -161.91(11) . . . . ? Zn1 Zn3 O1 Zn2 -113.75(13) . . . . ? Zn4 Zn3 O1 Zn2 127.17(15) . . . . ? O6 Zn3 O1 Zn4 156.42(12) . . . . ? O13 Zn3 O1 Zn4 -16.84(12) 1_655 . . . ? O5 Zn3 O1 Zn4 -106.63(11) . . . . ? O10 Zn3 O1 Zn4 70.93(11) . . . . ? Zn1 Zn3 O1 Zn4 119.08(13) . . . . ? O6 Zn3 O1 Zn1 37.33(15) . . . . ? O13 Zn3 O1 Zn1 -135.93(9) 1_655 . . . ? O5 Zn3 O1 Zn1 134.29(10) . . . . ? O10 Zn3 O1 Zn1 -48.16(10) . . . . ? Zn4 Zn3 O1 Zn1 -119.08(13) . . . . ? O10 C21 O9 Zn1 -4.7(6) . . . . ? C22 C21 O9 Zn1 177.0(3) . . . . ? O1 Zn1 O9 C21 6.8(3) . . . . ? O15 Zn1 O9 C21 176.2(3) 1_455 . . . ? O11 Zn1 O9 C21 -93.6(3) . . . . ? O7 Zn1 O9 C21 91.7(3) . . . . ? Zn3 Zn1 O9 C21 27.9(3) . . . . ? Zn2 Zn1 O9 C21 43.0(4) . . . . ? O5 C1 O4 Zn2 15.6(5) . . . . ? C2 C1 O4 Zn2 -161.4(2) . . . . ? O1 Zn2 O4 C1 -14.8(3) . . . . ? O16 Zn2 O4 C1 -149.0(3) 1_455 . . . ? O2 Zn2 O4 C1 102.7(3) . . . . ? Zn1 Zn2 O4 C1 -57.7(3) . . . . ? O15 C5 O16 Zn2 -18.2(5) . . . 1_655 ? C4 C5 O16 Zn2 160.4(2) . . . 1_655 ? O13 C20 O14 Zn4 -23.0(5) . . . 1_455 ? C18 C20 O14 Zn4 157.3(2) . . . 1_455 ? C14 C19 C18 C17 -0.4(5) . . . . ? C14 C19 C18 C20 177.0(3) . . . . ? O13 C20 C18 C19 20.2(5) . . . . ? O14 C20 C18 C19 -160.0(3) . . . . ? O13 C20 C18 C17 -162.4(3) . . . . ? O14 C20 C18 C17 17.3(5) . . . . ? O9 C21 O10 Zn3 -40.7(6) . . . . ? C22 C21 O10 Zn3 137.7(3) . . . . ? O6 Zn3 O10 C21 -48.2(4) . . . . ? O1 Zn3 O10 C21 75.7(3) . . . . ? O13 Zn3 O10 C21 -173.8(4) 1_655 . . . ? O5 Zn3 O10 C21 -128.7(10) . . . . ? Zn1 Zn3 O10 C21 43.7(3) . . . . ? Zn4 Zn3 O10 C21 109.9(3) . . . . ? O9 Zn1 O11 C13 103.7(4) . . . . ? O1 Zn1 O11 C13 -21.2(4) . . . . ? O15 Zn1 O11 C13 -131.5(4) 1_455 . . . ? O7 Zn1 O11 C13 -175.6(10) . . . . ? Zn3 Zn1 O11 C13 13.1(4) . . . . ? Zn2 Zn1 O11 C13 -56.4(4) . . . . ? O16 C5 C4 C3 -158.0(3) . . . . ? O15 C5 C4 C3 20.7(5) . . . . ? O16 C5 C4 C6 19.1(5) . . . . ? O15 C5 C4 C6 -162.2(3) . . . . ? C6 C4 C3 C2 -1.5(6) . . . . ? C5 C4 C3 C2 175.7(3) . . . . ? O4 C1 O5 Zn3 11.5(7) . . . . ? C2 C1 O5 Zn3 -171.5(3) . . . . ? O6 Zn3 O5 C1 92.1(4) . . . . ? O1 Zn3 O5 C1 -32.2(4) . . . . ? O13 Zn3 O5 C1 -142.5(4) 1_655 . . . ? O10 Zn3 O5 C1 172.3(9) . . . . ? Zn1 Zn3 O5 C1 0.4(5) . . . . ? Zn4 Zn3 O5 C1 -67.5(4) . . . . ? O9 Zn1 O7 C28 -45.9(4) . . . . ? O1 Zn1 O7 C28 78.5(4) . . . . ? O15 Zn1 O7 C28 -171.0(4) 1_455 . . . ? O11 Zn1 O7 C28 -126.8(11) . . . . ? Zn3 Zn1 O7 C28 44.9(4) . . . . ? Zn2 Zn1 O7 C28 112.6(4) . . . . ? C3 C4 C6 C7 -0.6(6) . . . . ? C5 C4 C6 C7 -177.8(3) . . . . ? C8 C7 C6 C4 2.8(6) . . . . ? C25 C7 C6 C4 -180.0(4) 4_665 . . . ? C18 C19 C14 C15 0.4(5) . . . . ? C18 C19 C14 C13 -174.7(3) . . . . ? C6 C7 C8 C2 -2.9(6) . . . . ? C25 C7 C8 C2 179.9(4) 4_665 . . . ? C17 C16 C15 C14 -2.1(6) . . . . ? C32 C16 C15 C14 -179.4(4) 2_455 . . . ? C19 C14 C15 C16 0.9(6) . . . . ? C13 C14 C15 C16 175.9(3) . . . . ? C4 C3 C2 C8 1.4(6) . . . . ? C4 C3 C2 C1 -176.3(3) . . . . ? C7 C8 C2 C3 0.8(6) . . . . ? C7 C8 C2 C1 178.6(4) . . . . ? O5 C1 C2 C3 -4.7(5) . . . . ? O4 C1 C2 C3 172.6(3) . . . . ? O5 C1 C2 C8 177.6(4) . . . . ? O4 C1 C2 C8 -5.2(5) . . . . ? Zn1 O7 C28 O6 -42.4(7) . . . . ? Zn1 O7 C28 C29 134.8(3) . . . . ? Zn3 O6 C28 O7 -3.5(6) . . . . ? Zn3 O6 C28 C29 179.2(3) . . . . ? Zn1 O11 C13 O12 1.6(7) . . . . ? Zn1 O11 C13 C14 -178.4(3) . . . . ? Zn4 O12 C13 O11 16.5(5) . . . . ? Zn4 O12 C13 C14 -163.6(2) . . . . ? C19 C14 C13 O11 -11.3(5) . . . . ? C15 C14 C13 O11 173.7(3) . . . . ? C19 C14 C13 O12 168.7(3) . . . . ? C15 C14 C13 O12 -6.3(5) . . . . ? O1 Zn2 O2 C9 6.8(4) . . . . ? O4 Zn2 O2 C9 -118.4(4) . . . . ? O16 Zn2 O2 C9 126.8(4) 1_455 . . . ? Zn1 Zn2 O2 C9 42.6(4) . . . . ? C22 C27 C26 C25 -0.5(8) . . . . ? C27 C26 C25 C24 2.0(7) . . . . ? C27 C26 C25 C7 179.2(4) . . . 4_566 ? C15 C16 C17 C18 2.1(6) . . . . ? C32 C16 C17 C18 179.4(4) 2_455 . . . ? C19 C18 C17 C16 -0.8(6) . . . . ? C20 C18 C17 C16 -178.2(3) . . . . ? O7 C28 C29 C30 2.8(7) . . . . ? O6 C28 C29 C30 -179.7(4) . . . . ? O7 C28 C29 C34 -176.2(5) . . . . ? O6 C28 C29 C34 1.3(7) . . . . ? C26 C25 C24 C23 -1.7(8) . . . . ? C7 C25 C24 C23 -178.9(4) 4_566 . . . ? C31 C32 C33 C34 2.4(7) . . . . ? C16 C32 C33 C34 -179.1(4) 2_445 . . . ? C26 C27 C22 C23 -1.3(7) . . . . ? C26 C27 C22 C21 -179.7(4) . . . . ? O10 C21 C22 C27 2.9(7) . . . . ? O9 C21 C22 C27 -178.6(4) . . . . ? O10 C21 C22 C23 -175.5(4) . . . . ? O9 C21 C22 C23 3.0(6) . . . . ? C30 C29 C34 C33 1.9(7) . . . . ? C28 C29 C34 C33 -179.1(5) . . . . ? C32 C33 C34 C29 -3.3(8) . . . . ? C12 C10 C11 C12 -0.3(9) 3_565 . . . ? C9 C10 C11 C12 -179.5(5) . . . . ? C34 C29 C30 C31 0.1(8) . . . . ? C28 C29 C30 C31 -178.9(4) . . . . ? C33 C32 C31 C30 -0.3(7) . . . . ? C16 C32 C31 C30 -178.9(4) 2_445 . . . ? C29 C30 C31 C32 -0.9(8) . . . . ? C27 C22 C23 C24 1.6(8) . . . . ? C21 C22 C23 C24 180.0(4) . . . . ? C25 C24 C23 C22 -0.1(8) . . . . ? C10 C11 C12 C10 0.3(9) . . . 3_565 ? Zn2 O2 C9 O3 -10.9(7) . . . . ? Zn2 O2 C9 C10 169.9(3) . . . . ? Zn4 O3 C9 O2 6.2(7) . . . . ? Zn4 O3 C9 C10 -174.6(3) . . . . ? C11 C10 C9 O2 -0.2(6) . . . . ? C12 C10 C9 O2 -179.3(5) 3_565 . . . ? C11 C10 C9 O3 -179.4(4) . . . . ? C12 C10 C9 O3 1.5(6) 3_565 . . . ? _diffrn_measured_fraction_theta_max 0.994 _diffrn_reflns_theta_full 25.00 _diffrn_measured_fraction_theta_full 0.998 _refine_diff_density_max 0.636 _refine_diff_density_min -0.379 _refine_diff_density_rms 0.067 # SQUEEZE RESULTS (APPEND TO CIF) loop_ _platon_squeeze_void_nr _platon_squeeze_void_average_x _platon_squeeze_void_average_y _platon_squeeze_void_average_z _platon_squeeze_void_volume _platon_squeeze_void_count_electrons 1 -0.031 -0.003 -0.008 5052.5 1297.7 _platon_squeeze_details ; ? ;