data_2010581 _journal_name_full 'Acta Crystallographica, Section C' _journal_year 2000 _journal_volume 56 _journal_page_first e10 _journal_page_last e11 _publ_section_title ; Bis[3-(salicylideneamino-O,N)propanolato]manganese(III) perchlorate ; loop_ _publ_author_name 'Zhang, Cungen' 'Wu, Dan' 'Sun, Jie' 'Kong, Xiangfu' _chemical_formula_moiety 'C20 H24 Mn N2 O4 1+, Cl O4 1-' _chemical_formula_sum 'C20 H24 Cl Mn N2 O8 ' _chemical_formula_iupac '[Mn (C10 H12 N O2)2] Cl O4' _chemical_formula_weight 510.81 _symmetry_cell_setting Monoclinic _symmetry_space_group_name_H-M 'C 2/c' 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+1/2' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, z+1/2' _cell_length_a 18.359(4) _cell_length_b 6.8980(10) _cell_length_c 18.256(4) _cell_angle_alpha 90.00 _cell_angle_beta 110.62(2) _cell_angle_gamma 90.00 _cell_volume 2163.8(9) _cell_formula_units_Z 4 _cell_measurement_temperature 293(2) _exptl_crystal_density_diffrn 1.568 _exptl_crystal_density_meas 1.57 _diffrn_ambient_temperature 293(2) 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_attached_atom Mn .7500 .2500 .5000 .0289 Uani Mn Cl .5000 .6087(2) .2500 .0483 Uani Cl O1 .65990(10) .2311(3) .52520(10) .0386 Uani O O2 .68570(10) .4088(3) .38440(10) .0424 Uani O O3 .4362(2) .7187(5) .2511(2) .1085 Uani O O4 .5251(2) .4928(6) .3176(2) .1033 Uani O N .7157(2) .0120(4) .43150(10) .0343 Uani N C1 .6288(2) .0655(5) .5387(2) .0355 Uani C C2 .5859(2) .0678(6) .5888(2) .0457 Uani C C3 .5525(2) -.0984(7) .6031(2) .0523 Uani C C4 .5589(2) -.2720(6) .5683(2) .0567 Uani C C5 .5989(2) -.2775(5) .5176(2) .0499 Uani C C6 .6356(2) -.1106(5) .5028(2) .0394 Uani C C7 .6711(2) -.1191(5) .4440(2) .0401 Uani C C8 .7342(2) -.0039(5) .3591(2) .0430 Uani C C9 .6824(2) .1322(6) .2973(2) .0504 Uani C C10 .6999(2) .3465(6) .3149(2) .0487 Uani C H1 .5808 .1862 .6078 .0647 Uiso H H2 .5266 -.0856 .6376 .0647 Uiso H H3 .5353 -.3799 .5767 .0647 Uiso H H4 .6034 -.3884 .4917 .0647 Uiso H H5 .6534 -.2289 .4073 .0647 Uiso H H6 .7241 -.1299 .3408 .0647 Uiso H H7 .7896 .0324 .3704 .0647 Uiso H H8 .6279 .1140 .2919 .0647 Uiso H H9 .6890 .1110 .2499 .0647 Uiso H H10 .6670 .4357 .2705 .0647 Uiso H H11 .7567 .3810 .3262 .0647 Uiso H H12 .6365 .4079 .3747 .0647 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 Mn .0320(3) .0279(3) .0267(3) .0010(3) .0101(2) -.0038(3) Cl .0452(7) .0571(8) .0379(6) .0000 .0087(5) .0000 O1 .0380(10) .0370(10) .0430(10) .0040(10) .0169(10) -.0030(10) O2 .0440(10) .0460(10) .0350(10) .0090(10) .0110(10) .0040(10) O3 .102(3) .111(3) .105(3) .047(2) .026(2) -.024(2) O4 .065(2) .154(3) .091(2) .013(2) .028(2) .072(2) N .0390(10) .0330(10) .0300(10) .0040(10) .0110(10) -.0030(10) C1 .029(2) .043(2) .031(2) .0010(10) .0060(10) .0030(10) C2 .040(2) .058(2) .036(2) .006(2) .0090(10) -.001(2) C3 .035(2) .084(3) .037(2) .000(2) .012(2) .014(2) C4 .043(2) .061(3) .062(2) -.007(2) .014(2) .022(2) C5 .046(2) .040(2) .056(2) .002(2) .008(2) .003(2) C6 .033(2) .039(2) .044(2) .0040(10) .0110(10) .005(2) C7 .040(2) .031(2) .047(2) .0030(10) .011(2) -.006(2) C8 .055(2) .040(2) .037(2) .001(2) .019(2) -.0130(10) C9 .050(2) .072(3) .026(2) .003(2) .010(2) -.012(2) C10 .049(2) .062(2) .034(2) .006(2) .014(2) .008(2) loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Mn O1 . 1.871(2) yes Mn O2 . 2.300(2) yes Mn N . 2.026(3) yes Cl O3 . 1.402(3) no Cl O4 . 1.405(3) no O1 C1 . 1.339(4) no O2 C10 . 1.447(4) no N C7 . 1.293(4) yes N C8 . 1.480(4) yes C1 C2 . 1.401(5) no C1 C6 . 1.406(4) no C2 C3 . 1.367(5) no C3 C4 . 1.379(6) no C4 C5 . 1.369(5) no C5 C6 . 1.408(5) no C6 C7 . 1.439(4) no C8 C9 . 1.518(5) no C9 C10 . 1.523(6) no