data_2011567 _journal_name_full 'Acta Crystallographica, Section C' _journal_year 2000 _journal_volume 56 _journal_page_first 1298 _journal_page_last 1299 _publ_section_title ; Dichlorobis[2-(o-tolyliminiomethyl)phenolato-O]zinc(II) ; loop_ _publ_author_name '\"Ulk\"u, Din\,cer' 'Ar\?ic\?i, Cengiz' 'Tahir, M. Nawaz' 'Atakol, Orhan' _chemical_formula_moiety 'C28 H26 Cl2 N2 O2 Zn' _chemical_formula_sum 'C28 H26 Cl2 N2 O2 Zn' _chemical_formula_iupac '[ZnCl2 (C14 H13 NO )2 ]' _chemical_formula_weight 558.808 _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'C 2/c' _symmetry_space_group_name_Hall '-C 2yc' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '-x,y,-z+1/2' '-x,-y,-z' 'x,-y,z+1/2' 'x+1/2,y+1/2,z' '-x+1/2,-y+1/2,-z' '-x+1/2,y+1/2,-z+1/2' 'x+1/2,-y+1/2,z+1/2' _cell_length_a 16.0495(11) _cell_length_b 10.5240(13) _cell_length_c 15.6324(12) _cell_angle_alpha 90.00 _cell_angle_beta 104.232(2) _cell_angle_gamma 90.00 _cell_volume 2559.4(4) _cell_formula_units_Z 4 _cell_measurement_temperature 295 _exptl_crystal_density_diffrn 1.450 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_thermal_displace_type _atom_site_calc_flag _atom_site_calc_attached_atom _atom_site_type_symbol Zn .500 .07524(4) .250 .04190(10) Ueq . . Zn Cl .61546(4) .19710(7) .25456(4) .0574(2) Ueq . . Cl O1 .53260(10) -.0419(2) .35170(10) .0458(4) Ueq . . O N1 .65480(10) -.0923(2) .49080(10) .0388(5) Ueq . . N C1 .47910(10) -.1045(2) .3873(2) .0407(6) Ueq . . C C2 .3926(2) -.1265(3) .3432(2) .0522(6) Ueq . . C C3 .3382(2) -.1893(3) .3840(2) .0584(8) Ueq . . C C4 .3658(2) -.2329(3) .4703(2) .0543(6) Ueq . . C C5 .44950(10) -.2158(2) .5149(2) .0457(6) Ueq . . C C6 .50790(10) -.1532(2) .47470(10) .0375(6) Ueq . . C C7 .59510(10) -.1435(2) .52250(10) .0394(6) Ueq . . C C8 .74390(10) -.0838(2) .5332(2) .0416(6) Ueq . . C C9 .7724(2) -.0957(3) .6239(2) .0579(8) Ueq . . C C10 .8592(2) -.0893(3) .6633(2) .0703(10) Ueq . . C C11 .9167(2) -.0678(3) .6126(2) .0693(10) Ueq . . C C12 .8877(2) -.0553(3) .5231(2) .0575(8) Ueq . . C C13 .8013(2) -.0633(2) .4806(2) .0452(6) Ueq . . C C14 .7709(2) -.0503(3) .3819(2) .0626(8) Ueq . . C H1 .637 -.057 .433 .0507 Uiso . . H H2 .372 -.098 .284 .0684 Uiso . . H H3 .280 -.203 .353 .0760 Uiso . . H H4 .327 -.275 .498 .0722 Uiso . . H H5 .469 -.246 .574 .0608 Uiso . . H H7 .611 -.176 .581 .0519 Uiso . . H H9 .732 -.110 .659 .0773 Uiso . . H H10 .879 -.098 .725 .0925 Uiso . . H H11 .976 -.062 .640 .0887 Uiso . . H H12 .928 -.041 .489 .0773 Uiso . . H H141 .717 -.009 .367 .0823 Uiso . . H H142 .812 -.002 .361 .0823 Uiso . . H H143 .766 -.132 .356 .0823 Uiso . . H loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 _atom_site_aniso_type_symbol Zn .0322(2) .0573(2) .0347(2) 0 .00510(10) 0 Zn Cl .0425(3) .0744(4) .0540(3) -.0146(3) .0094(2) -.0044(3) Cl O1 .0325(7) .0634(9) .0392(7) -.0025(7) .0042(6) .0071(7) O N1 .0276(8) .0460(10) .0400(9) .0015(7) .0031(7) .0005(8) N C1 .0340(10) .0420(10) .0440(10) -.0002(9) .0057(9) -.0060(9) C C2 .0370(10) .0630(10) .0490(10) -.0050(10) -.0040(10) -.0010(10) C C3 .0310(10) .0570(10) .080(2) -.0090(10) .0000(10) -.0050(10) C C4 .0380(10) .0520(10) .0750(10) -.0070(10) .0180(10) .0020(10) C C5 .0390(10) .0440(10) .0550(10) -.0010(10) .0135(9) .0020(10) C C6 .0302(9) .0400(10) .0410(10) .0016(9) .0063(8) -.0033(9) C C7 .0350(10) .0420(10) .0390(10) .0031(9) .0049(8) .0009(9) C C8 .0287(9) .0410(10) .0510(10) .0030(9) .0019(9) -.0020(10) C C9 .0370(10) .079(2) .0530(10) .0020(10) .0020(10) -.0020(10) C C10 .0440(10) .096(2) .059(2) .0010(10) -.0100(10) -.005(2) C C11 .0310(10) .078(2) .087(2) .0010(10) -.0080(10) .001(2) C C12 .0310(10) .0560(10) .084(2) .0000(10) .0110(10) .0090(10) C C13 .0340(10) .0390(10) .0610(10) .0009(9) .0089(9) .0030(10) C C14 .0440(10) .084(2) .0620(10) .0000(10) .0170(10) .0100(10) C loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Zn Cl . . 2.2401(7) yes Zn O1 . . 1.977(2) yes O1 C1 . . 1.311(3) yes N1 C7 . . 1.299(3) yes N1 C8 . . 1.423(3) yes N1 H1 . . .95 no C1 C2 . . 1.409(3) no C1 C6 . . 1.426(3) no C2 C3 . . 1.371(4) no C2 H2 . . .95 no C3 C4 . . 1.390(4) no C3 H3 . . .95 no C4 C5 . . 1.364(3) no C4 H4 . . .95 no C5 C6 . . 1.414(3) no C5 H5 . . .95 no C6 C7 . . 1.418(3) no C7 H7 . . .95 no C8 C9 . . 1.384(4) no C8 C13 . . 1.395(4) no C9 C10 . . 1.379(4) no C9 H9 . . .95 no C10 C11 . . 1.375(5) no C10 H10 . . .95 no C11 C12 . . 1.368(5) no C11 H11 . . .95 no C12 C13 . . 1.384(3) no C12 H12 . . .95 no C13 C14 . . 1.506(4) no C14 H141 . . .95 no C14 H142 . . .95 no C14 H143 . . .95 no