data_EB21 _audit_creation_date 2016-11-04 #============================================================================== # SUBMISSION DETAILS _publ_contact_author_name ; Hakan Arslan ; _publ_contact_author_address ; Department of Chemistry, Faculty of Arts and Science, Mersin University, Mersin, TR 33343, Turkey ; _publ_contact_author_email ; hakan.arslan@mersin.edu.tr ; _publ_contact_author_fax ; +90.324.3610047 ; _publ_contact_author_phone ; +90.532.7073122 ; _publ_contact_letter ; ; _publ_requested_journal ; Journal of Chemistry ; #============================================================================== _audit_creation_method SHELXL-97 _chemical_name_common ; tetrakis(\m-4-methylbenzoato-\k^2^O:O')-bis[(\m-acetylpyridine-\kN^1^)-zinc(II) ; _chemical_name_systematic ; tetrakis(\m-4-methylbenzoato-\k^2^O:O')-bis[(\m-acetylpyridine-\kN^1^)-zinc(II) ; _chemical_formula_moiety 'C23 H21 N O5 Zn' _chemical_formula_sum 'C23 H21 N O5 Zn' _chemical_formula_weight 456.78 _chemical_melting_point ? 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' _space_group_crystal_system 'monoclinic' _space_group_IT_number 14 _space_group_name_H-M_alt 'P 1 21/c 1' _space_group_name_Hall '-P 2ybc' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' _cell_length_a 10.4827(3) _cell_length_b 8.6141(2) _cell_length_c 24.7582(6) _cell_angle_alpha 90 _cell_angle_beta 101.0660(10) _cell_angle_gamma 90 _cell_volume 2194.07(10) _cell_formula_units_Z 4 _cell_measurement_reflns_used 8305 _cell_measurement_temperature 296(2) _cell_measurement_theta_max 29.41 _cell_measurement_theta_min 2.51 _exptl_absorpt_coefficient_mu 1.152 _exptl_absorpt_correction_T_max 0.7616 _exptl_absorpt_correction_T_min 0.7616 _exptl_absorpt_correction_type 'multi-scan' _exptl_absorpt_process_details 'Sheldrick, G. M. (2014) SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.' _exptl_crystal_colour colourless _exptl_crystal_colour_primary colourless _exptl_crystal_density_diffrn 1.383 _exptl_crystal_density_meas . _exptl_crystal_density_method 'not measured' _exptl_crystal_description PRIZM _exptl_crystal_F_000 944 _exptl_crystal_preparation ? _exptl_crystal_recrystallization_method ? _exptl_crystal_size_max 0.25 _exptl_crystal_size_mid 0.25 _exptl_crystal_size_min 0.25 _exptl_special_details ; ? ; _exptl_transmission_factor_max ? _exptl_transmission_factor_min ? _diffrn_reflns_av_R_equivalents 0.0388 _diffrn_reflns_av_unetI/netI 0.0333 _diffrn_reflns_Laue_measured_fraction_full 0.999 _diffrn_reflns_Laue_measured_fraction_max 0.996 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_k_max 10 _diffrn_reflns_limit_k_min -9 _diffrn_reflns_limit_l_max 30 _diffrn_reflns_limit_l_min -30 _diffrn_reflns_number 18962 _diffrn_reflns_point_group_measured_fraction_full 0.999 _diffrn_reflns_point_group_measured_fraction_max 0.996 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 26.371 _diffrn_reflns_theta_min 1.980 _diffrn_ambient_temperature 296.15 _diffrn_detector_area_resol_mean ? _diffrn_measured_fraction_theta_full 0.999 _diffrn_measured_fraction_theta_max 0.996 _diffrn_measurement_device_type 'Bruker APEX-II CCD' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_monochromator graphite _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_source ? _diffrn_standards_number 0 _reflns_Friedel_coverage 0.000 _reflns_number_gt 3721 _reflns_number_total 4465 _reflns_special_details ; Reflections were merged by SHELXL according to the crystal class for the calculation of statistics and refinement. _reflns_Friedel_fraction is defined as the number of unique Friedel pairs measured divided by the number that would be possible theoretically, ignoring centric projections and systematic absences. ; _reflns_threshold_expression 'I > 2\s(I)' _computing_cell_refinement ? _computing_data_collection ? _computing_data_reduction ? _computing_molecular_graphics 'Olex2 (Dolomanov et al., 2009)' _computing_publication_material 'Olex2 (Dolomanov et al., 2009)' _computing_structure_refinement 'ShelXL (Sheldrick, 2015)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 2008)' _refine_diff_density_max 0.268 _refine_diff_density_min -0.216 _refine_diff_density_rms 0.047 _refine_ls_extinction_coef . _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.037 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 274 _refine_ls_number_reflns 4465 _refine_ls_number_restraints 76 _refine_ls_R_factor_all 0.0439 _refine_ls_R_factor_gt 0.0333 _refine_ls_restrained_S_all 1.028 _refine_ls_shift/su_max 0.006 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0443P)^2^+0.1996P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0798 _refine_ls_wR_factor_ref 0.0836 _refine_special_details ; ? ; _atom_sites_solution_hydrogens geom _atom_sites_solution_primary ? _atom_sites_solution_secondary ? 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_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy _atom_site_disorder_assembly _atom_site_disorder_group Zn1 Zn 0.42892(2) 0.36576(2) 1.01556(2) 0.04176(10) Uani 1 1 d . U . . . O1 O 0.49544(15) 0.27201(17) 0.95111(6) 0.0578(4) Uani 1 1 d . U . . . O2 O 0.60571(16) 0.47455(17) 0.92849(6) 0.0607(4) Uani 1 1 d . U . . . O3 O 0.29609(15) 0.47875(19) 0.95710(6) 0.0635(4) Uani 1 1 d . U . . . O4 O 0.39915(15) 0.6869(2) 0.93422(6) 0.0633(4) Uani 1 1 d . U . . . O5 O 0.0006(2) -0.1571(2) 1.09996(10) 0.0953(7) Uani 1 1 d . U . . . N1 N 0.31501(15) 0.18774(18) 1.03295(6) 0.0411(4) Uani 1 1 d . U . . . C1 C 0.56012(19) 0.3403(2) 0.92071(8) 0.0447(5) Uani 1 1 d . U . . . C2 C 0.58155(18) 0.2568(2) 0.87026(7) 0.0413(4) Uani 1 1 d . U . . . C3 C 0.6670(2) 0.3143(3) 0.83890(8) 0.0532(5) Uani 1 1 d . U . . . H3 H 0.7157 0.4026 0.8505 0.064 Uiso 1 1 calc R . . . . C4 C 0.6804(2) 0.2419(3) 0.79077(8) 0.0597(6) Uani 1 1 d . U . . . H4 H 0.7390 0.2820 0.7705 0.072 Uiso 1 1 calc R . . . . C5 C 0.6096(2) 0.1119(3) 0.77180(9) 0.0594(6) Uani 1 1 d . U . . . C6 C 0.5275(3) 0.0531(3) 0.80419(9) 0.0708(7) Uani 1 1 d . U . . . H6 H 0.4800 -0.0363 0.7929 0.085 Uiso 1 1 calc R . . . . C7 C 0.5142(2) 0.1235(3) 0.85288(9) 0.0577(6) Uani 1 1 d . U . . . H7 H 0.4590 0.0803 0.8741 0.069 Uiso 1 1 calc R . . . . C8 C 0.6184(3) 0.0408(4) 0.71705(10) 0.0912(9) Uani 1 1 d . U . . . H8A H 0.5926 -0.0662 0.7167 0.137 Uiso 1 1 calc GR . . . . H8B H 0.7062 0.0475 0.7114 0.137 Uiso 1 1 calc GR . . . . H8C H 0.5619 0.0956 0.6882 0.137 Uiso 1 1 calc GR . . . . C9 C 0.3036(2) 0.5975(3) 0.92885(8) 0.0480(5) Uani 1 1 d . U . . . C10 C 0.1879(2) 0.6351(2) 0.88512(8) 0.0472(5) Uani 1 1 d . U . . . C11 C 0.1697(2) 0.7811(3) 0.86161(9) 0.0636(6) Uani 1 1 d . U . . . H11 H 0.2297 0.8595 0.8732 0.076 Uiso 1 1 calc R . . . . C12 C 0.0627(3) 0.8105(4) 0.82113(12) 0.0827(8) Uani 1 1 d . U . . . H12 H 0.0509 0.9095 0.8060 0.099 Uiso 1 1 calc R . . . . C13 C -0.0271(3) 0.6966(5) 0.80250(12) 0.0910(9) Uani 1 1 d . U . . . C14 C -0.0067(3) 0.5520(4) 0.82562(11) 0.0855(9) Uani 1 1 d . U . . . H14 H -0.0655 0.4730 0.8133 0.103 Uiso 1 1 calc R . . . . C15 C 0.0984(2) 0.5212(3) 0.86647(9) 0.0625(6) Uani 1 1 d . U . . . H15 H 0.1093 0.4223 0.8817 0.075 Uiso 1 1 calc R . . . . C16 C -0.1447(4) 0.7314(7) 0.75765(17) 0.167(2) Uani 1 1 d . U . . . H16A H -0.2222 0.6962 0.7692 0.250 Uiso 1 1 calc GR . . . . H16B H -0.1358 0.6787 0.7244 0.250 Uiso 1 1 calc GR . . . . H16C H -0.1504 0.8412 0.7511 0.250 Uiso 1 1 calc GR . . . . C17 C 0.2999(2) 0.0608(3) 1.00240(9) 0.0566(6) Uani 1 1 d . U . . . H17 H 0.3455 0.0525 0.9738 0.068 Uiso 1 1 calc R . . . . C18 C 0.2201(2) -0.0594(3) 1.01093(9) 0.0571(6) Uani 1 1 d . U . . . H18 H 0.2127 -0.1467 0.9885 0.068 Uiso 1 1 calc R . . . . C19 C 0.15182(18) -0.0503(2) 1.05232(8) 0.0432(4) Uani 1 1 d . U . . . C20 C 0.1691(2) 0.0800(3) 1.08488(10) 0.0648(7) Uani 1 1 d . U . . . H20 H 0.1256 0.0898 1.1141 0.078 Uiso 1 1 calc R . . . . C21 C 0.2504(2) 0.1955(3) 1.07415(9) 0.0618(6) Uani 1 1 d . U . . . H21 H 0.2610 0.2830 1.0966 0.074 Uiso 1 1 calc R . . . . C22 C 0.0609(2) -0.1755(2) 1.06381(10) 0.0563(6) Uani 1 1 d . U . . . C23 C 0.0491(3) -0.3204(3) 1.03009(11) 0.0746(7) Uani 1 1 d . U . . . H23A H 0.1261 -0.3820 1.0408 0.112 Uiso 1 1 calc GR . . . . H23B H 0.0387 -0.2938 0.9918 0.112 Uiso 1 1 calc GR . . . . H23C H -0.0251 -0.3785 1.0360 0.112 Uiso 1 1 calc GR . . . . 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 0.05202(15) 0.03817(15) 0.03867(14) -0.00338(9) 0.01764(10) -0.01665(10) O1 0.0774(10) 0.0562(9) 0.0479(8) -0.0098(7) 0.0328(7) -0.0141(8) O2 0.0833(10) 0.0526(10) 0.0531(9) -0.0185(7) 0.0305(8) -0.0207(8) O3 0.0689(10) 0.0649(11) 0.0544(9) 0.0118(8) 0.0060(7) -0.0041(8) O4 0.0589(9) 0.0685(10) 0.0601(10) -0.0008(8) 0.0052(7) -0.0139(8) O5 0.1162(16) 0.0659(12) 0.1263(17) -0.0175(11) 0.0797(14) -0.0405(11) N1 0.0482(9) 0.0372(9) 0.0411(9) -0.0010(7) 0.0166(7) -0.0114(7) C1 0.0510(11) 0.0473(13) 0.0367(10) -0.0053(9) 0.0107(9) -0.0037(9) C2 0.0453(10) 0.0445(11) 0.0346(9) -0.0035(8) 0.0085(8) -0.0033(9) C3 0.0581(12) 0.0575(13) 0.0472(12) -0.0090(10) 0.0184(10) -0.0152(10) C4 0.0639(14) 0.0744(16) 0.0470(12) -0.0063(11) 0.0256(10) -0.0081(12) C5 0.0670(14) 0.0704(16) 0.0431(12) -0.0133(10) 0.0163(11) -0.0024(12) C6 0.0862(17) 0.0694(17) 0.0607(14) -0.0269(13) 0.0236(13) -0.0255(14) C7 0.0693(14) 0.0581(14) 0.0509(13) -0.0113(10) 0.0248(11) -0.0182(11) C8 0.110(2) 0.111(3) 0.0575(15) -0.0317(16) 0.0301(15) -0.0084(19) C9 0.0559(12) 0.0507(13) 0.0401(11) -0.0089(9) 0.0159(9) -0.0034(10) C10 0.0521(11) 0.0546(13) 0.0385(10) -0.0025(9) 0.0180(9) -0.0039(9) C11 0.0756(15) 0.0580(15) 0.0590(14) 0.0002(12) 0.0174(12) -0.0002(12) C12 0.095(2) 0.0824(19) 0.0710(18) 0.0195(15) 0.0171(15) 0.0272(17) C13 0.0665(17) 0.130(3) 0.0719(18) 0.0144(19) 0.0016(14) 0.0113(18) C14 0.0596(15) 0.120(3) 0.0733(18) 0.0074(17) 0.0032(13) -0.0251(16) C15 0.0593(13) 0.0764(17) 0.0526(13) 0.0071(11) 0.0125(11) -0.0157(12) C16 0.101(3) 0.232(5) 0.142(4) 0.039(4) -0.039(3) 0.027(3) C17 0.0712(14) 0.0520(13) 0.0563(12) -0.0137(11) 0.0367(11) -0.0206(11) C18 0.0752(14) 0.0417(12) 0.0607(13) -0.0159(10) 0.0292(11) -0.0212(11) C19 0.0455(10) 0.0345(11) 0.0513(11) 0.0018(9) 0.0139(9) -0.0075(8) C20 0.0857(16) 0.0512(13) 0.0719(15) -0.0155(12) 0.0513(13) -0.0255(12) C21 0.0851(16) 0.0447(12) 0.0667(14) -0.0190(11) 0.0426(13) -0.0267(12) C22 0.0596(13) 0.0426(12) 0.0711(15) 0.0015(11) 0.0240(12) -0.0139(10) C23 0.0902(18) 0.0528(15) 0.0864(18) -0.0112(13) 0.0307(15) -0.0338(13) _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 Zn1 2.9332(4) 3_667 ? Zn1 O1 2.0276(13) . ? Zn1 O2 2.0339(14) 3_667 ? Zn1 O3 2.0512(15) . ? Zn1 O4 2.0348(16) 3_667 ? Zn1 N1 2.0397(15) . ? O1 C1 1.252(2) . ? O2 Zn1 2.0338(14) 3_667 ? O2 C1 1.252(2) . ? O3 C9 1.250(3) . ? O4 Zn1 2.0347(15) 3_667 ? O4 C9 1.250(3) . ? O5 C22 1.201(3) . ? N1 C17 1.322(3) . ? N1 C21 1.330(3) . ? C1 C2 1.495(3) . ? C2 C3 1.385(3) . ? C2 C7 1.373(3) . ? C3 H3 0.9300 . ? C3 C4 1.376(3) . ? C4 H4 0.9300 . ? C4 C5 1.376(3) . ? C5 C6 1.380(3) . ? C5 C8 1.506(3) . ? C6 H6 0.9300 . ? C6 C7 1.381(3) . ? C7 H7 0.9300 . ? C8 H8A 0.9600 . ? C8 H8B 0.9600 . ? C8 H8C 0.9600 . ? C9 C10 1.497(3) . ? C10 C11 1.384(3) . ? C10 C15 1.374(3) . ? C11 H11 0.9300 . ? C11 C12 1.376(4) . ? C12 H12 0.9300 . ? C12 C13 1.377(4) . ? C13 C14 1.370(5) . ? C13 C16 1.522(4) . ? C14 H14 0.9300 . ? C14 C15 1.371(3) . ? C15 H15 0.9300 . ? C16 H16A 0.9600 . ? C16 H16B 0.9600 . ? C16 H16C 0.9600 . ? C17 H17 0.9300 . ? C17 C18 1.373(3) . ? C18 H18 0.9300 . ? C18 C19 1.360(3) . ? C19 C20 1.374(3) . ? C19 C22 1.502(3) . ? C20 H20 0.9300 . ? C20 C21 1.369(3) . ? C21 H21 0.9300 . ? C22 C23 1.493(3) . ? C23 H23A 0.9600 . ? C23 H23B 0.9600 . ? C23 H23C 0.9600 . ? 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 Zn1 80.71(4) . 3_667 ? O1 Zn1 O2 159.84(6) . 3_667 ? O1 Zn1 O3 85.59(6) . . ? O1 Zn1 O4 89.65(7) . 3_667 ? O1 Zn1 N1 99.81(6) . . ? O2 Zn1 Zn1 79.15(4) 3_667 3_667 ? O2 Zn1 O3 88.51(7) 3_667 . ? O2 Zn1 O4 89.29(7) 3_667 3_667 ? O2 Zn1 N1 100.16(6) 3_667 . ? O3 Zn1 Zn1 75.57(5) . 3_667 ? O4 Zn1 Zn1 84.34(5) 3_667 3_667 ? O4 Zn1 O3 159.85(6) 3_667 . ? O4 Zn1 N1 100.90(7) 3_667 . ? N1 Zn1 Zn1 174.73(5) . 3_667 ? N1 Zn1 O3 99.21(6) . . ? C1 O1 Zn1 126.43(13) . . ? C1 O2 Zn1 128.08(13) . 3_667 ? C9 O3 Zn1 132.54(15) . . ? C9 O4 Zn1 121.69(15) . 3_667 ? C17 N1 Zn1 120.79(13) . . ? C17 N1 C21 117.26(17) . . ? C21 N1 Zn1 121.93(14) . . ? O1 C1 O2 125.17(18) . . ? O1 C1 C2 117.52(17) . . ? O2 C1 C2 117.29(17) . . ? C3 C2 C1 120.89(18) . . ? C7 C2 C1 120.87(18) . . ? C7 C2 C3 118.21(18) . . ? C2 C3 H3 119.7 . . ? C4 C3 C2 120.6(2) . . ? C4 C3 H3 119.7 . . ? C3 C4 H4 119.1 . . ? C5 C4 C3 121.8(2) . . ? C5 C4 H4 119.1 . . ? C4 C5 C6 117.2(2) . . ? C4 C5 C8 121.1(2) . . ? C6 C5 C8 121.7(2) . . ? C5 C6 H6 119.2 . . ? C7 C6 C5 121.6(2) . . ? C7 C6 H6 119.2 . . ? C2 C7 C6 120.6(2) . . ? C2 C7 H7 119.7 . . ? C6 C7 H7 119.7 . . ? C5 C8 H8A 109.5 . . ? C5 C8 H8B 109.5 . . ? C5 C8 H8C 109.5 . . ? H8A C8 H8B 109.5 . . ? H8A C8 H8C 109.5 . . ? H8B C8 H8C 109.5 . . ? O3 C9 O4 125.4(2) . . ? O3 C9 C10 116.89(19) . . ? O4 C9 C10 117.7(2) . . ? C11 C10 C9 121.9(2) . . ? C15 C10 C9 119.6(2) . . ? C15 C10 C11 118.5(2) . . ? C10 C11 H11 120.0 . . ? C12 C11 C10 120.0(3) . . ? C12 C11 H11 120.0 . . ? C11 C12 H12 119.3 . . ? C11 C12 C13 121.5(3) . . ? C13 C12 H12 119.3 . . ? C12 C13 C16 120.7(4) . . ? C14 C13 C12 117.8(3) . . ? C14 C13 C16 121.6(4) . . ? C13 C14 H14 119.2 . . ? C13 C14 C15 121.5(3) . . ? C15 C14 H14 119.2 . . ? C10 C15 H15 119.7 . . ? C14 C15 C10 120.7(2) . . ? C14 C15 H15 119.7 . . ? C13 C16 H16A 109.5 . . ? C13 C16 H16B 109.5 . . ? C13 C16 H16C 109.5 . . ? H16A C16 H16B 109.5 . . ? H16A C16 H16C 109.5 . . ? H16B C16 H16C 109.5 . . ? N1 C17 H17 118.5 . . ? N1 C17 C18 123.05(19) . . ? C18 C17 H17 118.5 . . ? C17 C18 H18 120.1 . . ? C19 C18 C17 119.82(19) . . ? C19 C18 H18 120.1 . . ? C18 C19 C20 117.38(18) . . ? C18 C19 C22 123.12(19) . . ? C20 C19 C22 119.49(19) . . ? C19 C20 H20 120.1 . . ? C21 C20 C19 119.78(19) . . ? C21 C20 H20 120.1 . . ? N1 C21 C20 122.7(2) . . ? N1 C21 H21 118.7 . . ? C20 C21 H21 118.7 . . ? O5 C22 C19 119.4(2) . . ? O5 C22 C23 121.9(2) . . ? C23 C22 C19 118.8(2) . . ? C22 C23 H23A 109.5 . . ? C22 C23 H23B 109.5 . . ? C22 C23 H23C 109.5 . . ? H23A C23 H23B 109.5 . . ? H23A C23 H23C 109.5 . . ? H23B C23 H23C 109.5 . . ? 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 Zn1 O1 C1 O2 7.5(3) . . . . ? Zn1 O1 C1 C2 -170.66(13) . . . . ? Zn1 O2 C1 O1 -9.2(3) 3_667 . . . ? Zn1 O2 C1 C2 168.98(13) 3_667 . . . ? Zn1 O3 C9 O4 -6.9(3) . . . . ? Zn1 O3 C9 C10 173.23(13) . . . . ? Zn1 O4 C9 O3 8.7(3) 3_667 . . . ? Zn1 O4 C9 C10 -171.43(13) 3_667 . . . ? Zn1 N1 C17 C18 -177.14(18) . . . . ? Zn1 N1 C21 C20 177.0(2) . . . . ? O1 C1 C2 C3 -170.68(19) . . . . ? O1 C1 C2 C7 11.3(3) . . . . ? O2 C1 C2 C3 11.0(3) . . . . ? O2 C1 C2 C7 -167.1(2) . . . . ? O3 C9 C10 C11 162.4(2) . . . . ? O3 C9 C10 C15 -19.3(3) . . . . ? O4 C9 C10 C11 -17.5(3) . . . . ? O4 C9 C10 C15 160.8(2) . . . . ? N1 C17 C18 C19 0.2(4) . . . . ? C1 C2 C3 C4 -176.1(2) . . . . ? C1 C2 C7 C6 175.4(2) . . . . ? C2 C3 C4 C5 0.6(4) . . . . ? C3 C2 C7 C6 -2.7(3) . . . . ? C3 C4 C5 C6 -2.4(4) . . . . ? C3 C4 C5 C8 175.6(2) . . . . ? C4 C5 C6 C7 1.6(4) . . . . ? C5 C6 C7 C2 0.9(4) . . . . ? C7 C2 C3 C4 2.0(3) . . . . ? C8 C5 C6 C7 -176.3(3) . . . . ? C9 C10 C11 C12 179.3(2) . . . . ? C9 C10 C15 C14 -178.6(2) . . . . ? C10 C11 C12 C13 -0.9(4) . . . . ? C11 C10 C15 C14 -0.2(3) . . . . ? C11 C12 C13 C14 0.0(5) . . . . ? C11 C12 C13 C16 -180.0(3) . . . . ? C12 C13 C14 C15 0.9(5) . . . . ? C13 C14 C15 C10 -0.8(4) . . . . ? C15 C10 C11 C12 1.0(3) . . . . ? C16 C13 C14 C15 -179.2(3) . . . . ? C17 N1 C21 C20 -1.2(4) . . . . ? C17 C18 C19 C20 -1.4(3) . . . . ? C17 C18 C19 C22 179.0(2) . . . . ? C18 C19 C20 C21 1.3(4) . . . . ? C18 C19 C22 O5 -177.5(2) . . . . ? C18 C19 C22 C23 3.0(3) . . . . ? C19 C20 C21 N1 0.0(4) . . . . ? C20 C19 C22 O5 2.9(4) . . . . ? C20 C19 C22 C23 -176.5(2) . . . . ? C21 N1 C17 C18 1.1(4) . . . . ? C22 C19 C20 C21 -179.1(2) . . . . ? _shelx_res_checksum 49928 _shelx_hkl_file ; -1 0 0 3297.17 158.48 -1 0 0 3406.86 105.69 2 0 0 2823.22 123.19 -2 0 0 2843.92 93.09 3 0 0 178.28 5.40 3 0 0 189.48 8.60 -3 0 0 175.38 6.60 -4 0 0 12.60 1.80 4 0 0 13.60 1.40 4 0 0 11.30 1.60 -5 0 0 545.85 18.60 5 0 0 526.95 15.00 5 0 0 551.24 24.20 6 0 0 101.79 4.60 6 0 0 112.29 6.40 -6 0 0 110.19 11.90 -7 0 0 945.81 32.60 7 0 0 1009.90 42.80 7 0 0 952.70 26.50 8 0 0 503.85 23.60 8 0 0 490.05 15.30 -8 0 0 510.95 18.70 -9 0 0 8.80 2.60 9 0 0 8.70 2.50 -10 0 0 14.20 3.00 10 0 0 16.90 3.20 10 0 0 14.90 3.00 -11 0 0 44.50 5.10 11 0 0 42.40 6.30 11 0 0 44.40 4.50 -12 0 0 36.10 5.00 12 0 0 37.70 5.20 -13 0 0 1.40 2.70 13 0 0 8.90 3.40 14 0 0 5.50 3.50 -14 0 0 5.70 2.80 0 -1 0 0.00 0.50 0 1 0 0.00 1.20 -1 -1 0 511.75 17.50 -1 1 0 557.94 23.40 1 1 0 551.84 23.90 -1 1 0 542.65 17.10 -2 -1 0 16.00 1.70 2 1 0 13.80 0.90 -2 1 0 14.60 1.00 2 1 0 18.60 2.40 -2 1 0 14.10 1.20 -3 -1 0 126.79 9.40 3 -1 0 126.99 4.10 -3 1 0 119.19 6.00 3 1 0 116.59 4.00 3 1 0 121.49 4.00 3 1 0 135.49 6.90 -3 1 0 118.99 4.70 -4 -1 0 356.36 20.30 4 -1 0 326.57 9.80 -4 1 0 339.47 15.40 4 1 0 369.96 16.30 -4 1 0 333.27 11.80 4 1 0 332.97 9.80 5 -1 0 166.68 5.90 -5 -1 0 167.28 7.20 5 1 0 169.78 5.90 -5 1 0 164.28 8.40 -5 1 0 160.48 6.70 5 1 0 183.78 9.40 6 -1 0 455.45 23.90 -6 -1 0 454.05 16.40 6 -1 0 456.45 13.30 -6 1 0 423.16 15.80 6 1 0 457.05 22.60 6 1 0 428.26 13.20 6 1 0 481.45 21.60 7 -1 0 1.50 1.20 -7 -1 0 0.00 1.60 7 -1 0 3.00 1.50 7 1 0 1.80 2.90 7 1 0 0.00 1.60 7 1 0 1.00 1.50 -7 1 0 1.00 1.40 -8 -1 0 12.90 5.50 8 -1 0 11.20 2.20 8 1 0 9.90 9.00 8 1 0 10.60 2.30 -8 1 0 12.10 2.30 8 1 0 12.90 2.50 -9 -1 0 1.20 2.40 9 -1 0 1.90 1.90 -9 1 0 0.50 1.70 9 1 0 4.50 2.20 -10 -1 0 90.39 6.90 10 -1 0 81.69 5.50 -10 1 0 74.69 5.80 10 1 0 74.39 5.50 -11 -1 0 13.10 3.60 11 -1 0 17.00 3.30 11 -1 0 16.20 3.30 11 1 0 14.90 3.30 -11 1 0 14.00 3.10 -12 -1 0 22.10 4.40 12 -1 0 23.30 4.30 12 -1 0 26.10 4.30 -12 1 0 23.70 4.00 12 1 0 29.50 4.70 -13 -1 0 2.40 3.30 13 -1 0 3.50 3.00 13 1 0 4.40 3.30 -13 1 0 0.20 2.40 14 -1 0 0.00 2.10 -14 -1 0 0.00 2.80 14 1 0 6.90 4.00 0 -2 0 710.63 22.80 0 2 0 619.24 31.70 0 2 0 781.12 18.10 -1 -2 0 3.80 1.40 1 -2 0 1.00 0.50 1 -2 0 1.90 0.60 -1 2 0 1.50 2.20 1 2 0 1.50 0.50 1 2 0 4.50 3.20 -2 -2 0 560.34 18.90 2 -2 0 542.95 14.90 -2 2 0 568.84 18.10 2 2 0 543.65 14.80 2 2 0 578.74 26.50 -2 2 0 585.74 24.90 -3 -2 0 2.80 1.70 3 -2 0 0.60 0.60 -3 2 0 0.00 0.60 -3 2 0 0.00 0.80 3 2 0 0.10 0.70 3 2 0 5.10 3.50 -4 -2 0 143.59 7.60 4 -2 0 128.99 4.80 4 2 0 145.69 9.00 -4 2 0 136.19 5.40 -4 2 0 129.29 7.10 4 2 0 129.29 4.70 5 -2 0 2.90 1.10 -5 -2 0 1.90 3.20 -5 2 0 1.90 1.00 5 2 0 2.50 3.20 -5 2 0 3.20 1.10 5 2 0 2.20 1.10 -6 -2 0 0.20 3.50 6 -2 0 0.40 1.10 -6 2 0 2.00 0.90 -6 2 0 1.40 1.10 6 2 0 3.50 3.60 6 2 0 1.20 1.20 7 -2 0 1.20 1.40 -7 -2 0 3.40 2.10 7 2 0 5.60 4.60 -7 2 0 1.90 1.20 7 2 0 1.60 1.40 -7 2 0 1.70 1.10 -8 -2 0 47.40 4.60 8 -2 0 45.90 3.60 -8 2 0 44.10 3.60 8 2 0 52.29 10.90 8 2 0 43.30 7.40 -9 -2 0 3.40 6.10 9 -2 0 1.70 1.90 9 2 0 1.30 2.10 -9 2 0 2.60 1.70 9 2 0 0.00 5.80 10 -2 0 22.30 3.30 -10 -2 0 19.90 3.90 -10 2 0 19.40 3.10 10 2 0 21.80 3.60 -11 -2 0 8.60 3.90 11 -2 0 12.90 2.90 -11 2 0 5.80 2.40 11 2 0 5.60 2.80 12 -2 0 5.10 2.50 12 -2 0 0.00 3.10 -12 -2 0 3.90 3.40 12 2 0 7.10 3.30 13 -2 0 6.20 2.40 13 -2 0 5.50 3.30 -13 -2 0 3.80 3.70 13 2 0 3.00 3.30 14 -2 0 0.00 2.10 -14 -2 0 0.00 2.60 14 2 0 0.00 3.30 0 -3 0 0.60 1.80 0 3 0 2.90 4.50 0 3 0 0.00 0.40 1 -3 0 10.20 1.50 -1 -3 0 15.10 2.50 -1 3 0 14.00 1.20 1 3 0 15.80 5.50 1 3 0 13.00 1.10 -1 3 0 10.60 4.20 2 -3 0 393.06 11.00 -2 -3 0 398.66 14.30 -2 3 0 415.26 13.10 2 3 0 401.36 11.00 2 3 0 356.06 20.90 -2 3 0 412.16 19.00 3 -3 0 498.65 13.80 -3 -3 0 489.55 17.40 3 3 0 497.05 13.70 -3 3 0 514.25 16.50 -3 3 0 515.55 22.70 3 3 0 462.45 25.10 4 -3 0 60.59 3.00 -4 -3 0 58.59 4.30 4 3 0 55.59 8.60 -4 3 0 55.39 4.10 -4 3 0 62.79 3.10 4 3 0 62.49 3.00 5 -3 0 76.09 3.70 -5 -3 0 81.29 5.50 -5 3 0 84.09 4.00 -5 3 0 75.89 5.10 5 3 0 81.29 9.70 5 3 0 80.79 3.80 6 -3 0 12.60 1.90 -6 -3 0 10.40 2.60 6 3 0 19.40 6.40 -6 3 0 14.20 2.00 -6 3 0 13.00 2.10 6 3 0 15.80 2.20 7 -3 0 4.90 1.70 -7 -3 0 7.00 2.50 7 3 0 13.50 6.50 -7 3 0 5.50 1.50 -7 3 0 4.10 1.50 7 3 0 5.90 1.80 -8 -3 0 115.09 7.20 8 -3 0 105.39 5.50 8 3 0 123.29 13.90 -8 3 0 116.39 6.10 8 3 0 108.59 5.60 9 -3 0 103.79 5.70 -9 -3 0 112.49 7.70 9 3 0 80.29 13.90 9 3 0 106.89 6.10 -9 3 0 99.09 5.90 -10 -3 0 65.79 6.40 10 -3 0 63.09 4.80 10 3 0 65.59 5.10 11 -3 0 28.60 3.90 -11 -3 0 33.30 5.40 11 3 0 25.70 4.00 12 -3 0 8.60 2.60 -12 -3 0 9.60 4.10 12 3 0 10.50 3.90 -13 -3 0 0.40 3.90 13 -3 0 2.50 1.80 13 -3 0 0.00 3.30 13 3 0 2.40 3.70 0 -4 0 497.45 17.00 0 4 0 529.85 13.40 0 4 0 424.86 25.10 1 -4 0 379.66 13.30 -1 -4 0 385.46 13.90 1 4 0 352.86 21.60 -1 4 0 344.67 20.00 -1 4 0 411.26 10.80 1 4 0 398.76 10.80 2 -4 0 621.64 18.90 -2 -4 0 598.74 20.20 -2 4 0 587.44 27.50 2 4 0 592.64 15.80 2 4 0 483.35 29.50 -3 -4 0 72.99 4.90 3 -4 0 65.29 3.10 3 4 0 59.99 3.10 -3 4 0 65.09 5.40 3 4 0 59.39 10.00 -4 -4 0 1.90 2.00 4 -4 0 0.50 0.90 4 4 0 0.00 1.00 4 4 0 3.20 6.00 -4 4 0 1.10 0.60 -4 4 0 1.30 1.40 -5 -4 0 412.96 27.70 5 -4 0 393.86 12.00 -5 4 0 407.76 19.30 5 4 0 350.66 23.20 5 4 0 399.96 12.00 -5 4 0 404.06 13.90 6 -4 0 292.47 10.00 -6 -4 0 314.47 17.10 -6 4 0 304.07 15.20 6 4 0 292.07 21.20 -6 4 0 303.07 11.40 6 4 0 317.17 10.20 7 -4 0 201.78 7.80 -7 -4 0 210.68 20.70 -7 4 0 208.98 8.60 7 4 0 201.88 8.00 7 4 0 182.58 17.80 -8 -4 0 187.78 9.80 8 -4 0 160.78 7.10 8 4 0 163.98 7.20 8 4 0 142.19 17.10 -9 -4 0 39.30 5.40 9 -4 0 35.30 3.70 9 4 0 26.80 10.40 9 4 0 41.50 4.50 10 -4 0 12.70 2.60 -10 -4 0 11.80 6.00 10 4 0 12.90 3.40 -11 -4 0 0.00 3.00 11 -4 0 2.90 1.90 11 4 0 0.00 4.60 -12 -4 0 5.30 4.30 12 4 0 6.10 3.80 -13 -4 0 16.20 4.90 13 4 0 16.80 4.80 0 -5 0 0.00 2.20 0 5 0 0.00 0.80 0 5 0 0.50 6.80 1 -5 0 157.98 7.20 -1 -5 0 159.98 7.60 -1 5 0 163.28 5.50 -1 5 0 150.18 13.00 1 5 0 148.29 14.50 1 5 0 163.58 5.60 2 -5 0 475.65 16.60 -2 -5 0 495.35 17.60 -2 -5 0 515.15 15.30 2 5 0 492.75 13.80 -2 5 0 486.45 24.70 2 5 0 436.06 28.20 -2 5 0 492.55 13.80 -3 -5 0 584.44 20.40 3 -5 0 605.24 18.80 3 5 0 564.04 16.10 3 5 0 504.45 31.40 -3 5 0 590.24 27.60 4 -5 0 627.54 20.50 -4 -5 0 634.94 22.50 4 -5 0 623.44 17.80 4 5 0 635.64 17.80 -4 5 0 671.83 29.60 4 5 0 558.34 34.90 5 -5 0 117.89 5.30 -5 -5 0 135.59 16.70 5 5 0 125.39 17.00 5 5 0 128.19 5.60 -5 5 0 129.79 8.10 -6 -5 0 73.99 8.50 6 -5 0 64.09 4.00 6 5 0 72.19 4.30 -6 5 0 71.09 5.50 6 5 0 78.59 14.00 -7 -5 0 0.00 5.50 7 -5 0 0.90 1.40 7 5 0 1.00 1.90 -7 5 0 2.30 1.20 7 5 0 13.10 10.30 8 -5 0 12.60 2.40 -8 -5 0 11.60 3.40 8 5 0 9.70 2.70 8 5 0 12.00 10.70 -9 -5 0 9.20 3.60 9 -5 0 15.50 2.80 9 5 0 0.00 9.90 9 5 0 17.60 3.30 -10 -5 0 55.29 7.40 10 -5 0 57.49 4.60 10 5 0 32.10 12.90 10 5 0 59.49 5.30 -11 -5 0 30.30 5.50 11 5 0 37.30 5.20 -12 -5 0 3.30 3.90 12 5 0 8.40 3.60 0 -6 0 216.88 9.10 0 6 0 191.08 17.90 0 6 0 213.68 7.10 1 -6 0 2.10 2.40 -1 -6 0 3.00 2.60 -1 6 0 1.60 1.20 -1 6 0 0.00 6.70 1 6 0 6.10 8.70 1 6 0 0.50 1.20 -2 -6 0 176.28 8.50 2 -6 0 176.38 7.80 -2 6 0 169.98 13.60 2 6 0 172.18 19.30 2 6 0 180.28 6.60 -2 6 0 180.58 6.40 -3 -6 0 49.90 3.90 -3 -6 0 48.00 4.70 3 6 0 41.80 11.40 -3 6 0 51.59 3.20 3 6 0 46.50 3.40 -3 6 0 48.00 6.50 -4 -6 0 2.50 2.80 4 6 0 2.40 1.70 -4 6 0 0.30 2.70 4 6 0 7.80 9.40 -5 -6 0 7.90 3.00 5 -6 0 6.20 1.70 5 6 0 4.70 2.00 -5 6 0 6.90 2.70 5 6 0 22.80 10.70 6 -6 0 66.89 4.10 -6 -6 0 66.99 15.00 6 6 0 59.99 14.10 -6 6 0 66.29 5.80 6 6 0 62.99 4.30 -7 -6 0 14.30 9.00 7 -6 0 14.90 2.60 7 6 0 15.30 3.20 7 6 0 12.30 11.70 -8 -6 0 51.69 6.10 8 -6 0 45.20 3.90 8 6 0 49.30 14.30 8 6 0 47.00 4.60 -9 -6 0 30.20 5.10 9 -6 0 28.00 3.80 9 6 0 28.90 4.40 9 6 0 21.00 13.00 -10 -6 0 19.80 5.20 10 6 0 0.00 11.90 10 6 0 26.10 4.60 -11 -6 0 2.70 4.30 11 6 0 6.20 3.40 -12 -6 0 0.00 3.60 12 6 0 0.00 6.30 0 -7 0 0.00 2.40 0 7 0 2.30 1.40 0 7 0 0.00 7.20 -1 -7 0 7.50 2.70 1 7 0 9.20 9.50 1 7 0 12.30 5.20 -1 7 0 7.40 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22.20 -5 -4 4 791.42 28.20 -5 4 4 834.62 34.80 5 4 -4 807.62 21.70 5 4 -4 680.03 39.70 4 -4 -4 520.15 14.90 -4 -4 4 502.35 19.50 4 4 -4 440.96 27.70 -4 4 4 521.65 23.90 4 4 -4 527.05 14.40 3 -4 -4 9.00 1.60 -3 -4 4 11.10 3.50 -3 4 4 10.90 4.60 3 4 -4 12.30 5.80 3 4 -4 11.70 1.50 -2 -4 4 147.49 8.50 2 4 -4 154.48 5.00 -2 4 4 135.39 11.40 2 4 -4 145.59 11.70 -1 -4 4 575.64 20.40 1 -4 -4 591.14 18.30 -1 -4 4 592.64 16.60 -1 4 4 566.64 15.80 1 4 -4 574.94 15.20 -1 4 4 514.65 28.10 1 4 -4 572.64 28.20 0 -4 -4 456.75 18.40 0 -4 4 464.15 16.00 0 4 4 422.96 12.60 0 4 4 443.96 23.30 0 4 -4 462.35 22.40 0 4 -4 444.56 12.10 -1 -4 -4 1019.50 32.70 1 -4 4 1013.90 33.00 1 4 4 1009.90 26.60 -1 4 -4 1026.50 45.40 -1 4 -4 1007.50 25.90 1 4 4 975.40 46.60 -2 -4 -4 739.93 24.40 -2 -4 -4 719.83 21.60 -2 4 -4 714.43 33.50 2 4 4 742.73 35.10 2 4 4 700.23 19.70 -2 4 -4 736.53 24.60 -2 4 -4 747.73 19.10 -3 -4 -4 129.69 6.10 3 -4 4 128.49 4.40 3 4 4 127.09 4.90 -3 4 -4 122.39 8.10 -3 4 -4 128.19 5.90 3 4 4 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22 7.70 3.90 12 0 -23 6.30 3.30 11 0 -23 1.10 2.90 10 0 -23 3.60 3.00 9 0 -23 0.00 2.40 -9 0 23 0.00 5.10 8 0 -23 0.00 2.30 -8 0 23 4.40 5.00 -7 0 23 2.10 3.30 7 0 -23 0.00 1.90 -6 0 23 5.20 3.30 6 0 -23 0.90 1.80 5 0 -23 0.00 1.50 -5 0 23 7.20 3.00 5 0 -23 0.00 2.40 -4 0 23 1.40 5.50 4 0 -23 0.00 2.60 4 0 -23 0.70 1.40 3 0 -23 0.00 2.90 3 0 -23 0.00 1.20 -3 0 23 1.30 2.30 2 0 -23 0.20 2.40 2 0 -23 1.60 3.30 1 0 -23 0.90 2.80 1 0 -23 1.60 3.50 0 0 -23 0.00 3.50 0 0 -23 1.90 2.60 -1 0 -23 0.00 2.10 -1 0 -23 0.20 3.60 -2 0 -23 0.00 3.90 -2 0 -23 0.50 2.60 -3 0 -23 0.40 2.90 -3 0 -23 1.50 5.10 -4 0 -23 6.50 6.20 -4 0 -23 4.00 3.50 -5 0 -23 3.30 50.99 -5 0 -23 0.50 6.30 -6 0 -23 1.30 7.00 -6 0 -23 0.00 7.80 -7 0 -23 0.00 3.80 -7 0 -23 0.00 7.10 7 0 23 1.00 3.90 -8 0 -23 12.50 8.80 -8 0 -23 0.00 2.60 8 0 23 0.40 4.40 12 -1 -23 0.80 3.00 12 1 -23 4.20 3.60 11 -1 -23 0.00 2.80 11 1 -23 5.10 3.50 -10 -1 23 0.00 6.80 10 -1 -23 10.70 3.40 10 1 -23 18.50 4.00 9 -1 -23 38.00 4.80 -9 -1 23 17.90 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18.00 -5 2 23 308.57 17.60 -5 2 23 292.57 13.00 4 -2 -23 151.08 11.00 -4 -2 23 154.58 9.70 4 -2 -23 152.38 7.30 -4 2 23 155.18 8.60 4 2 -23 149.69 12.00 -3 -2 23 90.09 7.40 3 -2 -23 93.49 7.20 3 -2 -23 90.09 8.80 3 2 -23 90.99 10.10 2 -2 -23 4.50 3.60 2 -2 -23 3.50 4.20 -2 -2 23 6.20 3.10 2 2 -23 4.10 4.40 1 -2 -23 94.99 10.00 1 -2 -23 83.99 9.70 1 2 -23 91.89 10.30 -1 2 23 85.79 4.70 1 2 -23 80.49 7.50 0 -2 -23 228.68 15.80 0 -2 -23 206.38 11.80 0 2 23 210.58 7.80 0 2 -23 218.68 16.40 0 2 -23 202.78 17.60 -1 -2 -23 157.58 10.20 -1 -2 -23 170.58 13.70 -1 2 -23 166.38 14.40 -1 2 -23 170.18 11.30 1 2 23 160.48 13.60 -2 -2 -23 122.39 9.10 -2 -2 -23 136.99 12.50 -2 2 -23 126.39 12.80 -2 2 -23 115.29 15.40 2 2 23 114.19 12.20 -3 -2 -23 40.90 6.20 -3 -2 -23 73.29 95.79 -3 2 -23 70.59 11.40 -3 2 -23 56.99 7.10 3 2 23 51.99 23.70 -4 -2 -23 11.20 4.10 -4 -2 -23 8.30 6.70 -4 2 -23 13.70 7.90 4 2 23 11.00 5.30 -4 2 -23 6.80 3.80 -5 -2 -23 0.60 6.60 -5 2 -23 0.30 3.30 5 2 23 0.00 10.50 -5 2 -23 3.20 7.90 -6 -2 -23 4.40 4.10 -6 2 -23 2.80 4.00 6 2 23 4.30 5.10 -6 2 -23 9.40 8.30 -8 2 -23 72.29 84.49 11 -3 -23 22.20 5.00 11 3 -23 19.50 4.10 -10 -3 23 2.60 7.60 10 -3 -23 27.10 4.80 10 3 -23 30.70 4.50 -9 -3 23 59.49 9.80 9 -3 -23 92.59 20.50 9 3 -23 89.59 6.10 -8 -3 23 86.29 11.90 8 -3 -23 73.49 6.20 8 3 -23 82.99 5.70 7 -3 -23 49.80 5.50 -7 -3 23 43.90 7.90 7 3 -23 41.10 3.90 6 -3 -23 4.30 2.80 -6 -3 23 7.50 4.80 6 3 -23 4.90 5.90 5 -3 -23 2.70 2.50 -5 -3 23 6.30 4.10 5 3 -23 0.70 3.60 -4 -3 23 32.50 5.20 4 -3 -23 32.80 4.30 -4 3 23 37.50 5.90 4 3 -23 42.90 8.40 -4 3 23 43.40 4.10 3 -3 -23 33.30 4.70 -3 -3 23 29.50 5.00 3 3 -23 37.30 8.10 -3 3 23 35.70 7.80 -2 -3 23 69.79 6.80 2 -3 -23 70.79 6.20 -2 3 23 60.09 19.20 -2 3 23 64.89 4.50 2 3 -23 70.49 10.30 1 -3 -23 160.88 9.90 1 3 -23 186.28 15.60 -1 3 23 176.68 7.30 -1 3 23 186.88 19.40 0 -3 -23 92.19 7.50 0 3 23 81.19 19.60 0 3 -23 89.49 8.20 0 3 23 98.19 5.00 0 3 -23 96.19 11.30 -1 -3 -23 1.20 2.80 -1 3 -23 7.10 6.00 1 3 23 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15.40 0 -4 -28 35.70 5.60 0 -4 28 54.09 7.10 0 4 -28 52.19 12.60 0 4 28 37.90 9.10 -1 -4 -28 11.60 3.60 -1 4 -28 10.10 9.50 -1 4 -28 7.60 4.30 1 4 28 9.70 6.70 -2 -4 -28 3.60 2.90 -2 4 -28 2.70 8.00 -2 4 -28 6.20 4.00 2 4 28 4.90 6.50 -3 4 -28 8.70 4.60 -4 -4 -28 12.00 4.00 -4 4 -28 13.10 4.80 -4 4 -28 24.60 10.70 4 4 28 5.00 6.50 -7 -5 28 4.90 6.70 -5 -5 28 78.99 9.70 -5 5 28 65.89 5.50 5 5 -28 91.19 12.60 -4 -5 28 36.60 7.00 4 5 -28 47.50 11.90 -4 5 28 36.10 4.60 -3 -5 28 24.80 5.90 3 5 -28 27.50 9.80 -3 5 28 13.40 6.00 -3 5 28 14.80 3.40 -2 -5 28 15.00 4.70 -2 5 28 6.80 2.60 2 5 -28 8.90 7.50 -2 5 28 2.20 5.40 -1 -5 28 11.60 4.70 -1 5 28 5.30 5.40 1 5 -28 9.50 7.30 -1 5 28 0.00 2.10 0 -5 28 14.00 4.60 0 5 28 0.00 5.60 0 5 28 7.90 2.70 0 5 -28 9.00 8.30 1 -5 28 9.00 3.70 -1 5 -28 2.80 9.00 1 5 28 0.00 6.10 -2 5 -28 14.90 9.30 -2 5 -28 0.00 3.00 2 5 28 0.00 5.10 -3 -5 -28 16.60 4.00 -3 5 -28 50.39 13.90 -3 5 -28 21.00 6.00 3 5 28 16.30 8.50 -4 -6 28 9.80 5.10 4 6 -28 11.30 20.00 -4 6 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