data_2006281 _journal_name_full 'Acta Crystallographica' _journal_year 1997 _journal_volume C53 _journal_page_first 872 _journal_page_last 874 _publ_section_title ; Bis{(\m-acetato)[\m-bis(salicylidene)-1,3-propanediaminato](N,N- dimethylformamide)nickel(II)}cadmium(II) ; loop_ _publ_author_name '\"Ulk\"u, Din\,cer' 'Tahir, M. Nawaz' 'Atakol, Orhan' 'Nazir, Hasan' _chemical_formula_moiety '[Cd (C2 H3 O2)2 {Ni (C3 H7 NO) (C17 H16 N2 O2)}2]' _chemical_formula_sum 'C44 H52 Cd N6 Ni2 O10' _chemical_formula_weight 1054.759 _symmetry_cell_setting triclinic _symmetry_space_group_name_H-M 'P -1' _symmetry_space_group_name_Hall '-P 1' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '-x,-y,-z' _cell_length_a 9.616(2) _cell_length_b 10.672(2) _cell_length_c 12.344(3) _cell_angle_alpha 112.870(2) _cell_angle_beta 100.174(3) _cell_angle_gamma 90.257(2) _cell_volume 1145.2(6) _cell_formula_units_Z 1 _cell_measurement_temperature 294 _exptl_crystal_density_diffrn 1.529 _refine_ls_R_factor_obs .022 _refine_ls_wR_factor_obs .031 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 Cd .000 .000 .000 .03450(10) Ueq . . Cd Ni .21755(3) -.10066(2) .17485(2) .03130(10) Ueq . . Ni O1 .1760(2) .08060(10) .16350(10) .0388(4) Ueq . . O O2 .02130(10) -.16300(10) .07520(10) .0367(4) Ueq . . O O3 .3162(2) -.1622(2) .03080(10) .0421(4) Ueq . . O O4 .1769(2) -.0966(2) -.10040(10) .0475(4) Ueq . . O O5 .1327(2) -.0291(2) .34020(10) .0473(4) Ueq . . O N1 .4059(2) -.0091(2) .2845(2) .0374(5) Ueq . . N N2 .2337(2) -.2849(2) .1845(2) .0369(5) Ueq . . N N3 .0004(2) .1348(2) .4403(2) .0476(6) Ueq . . N C1 .2103(2) .1993(2) .2529(2) .0361(5) Ueq . . C C2 .1251(3) .3088(2) .2627(2) .0476(6) Ueq . . C C3 .1581(3) .4329(2) .3567(2) .0573(8) Ueq . . C C4 .2775(3) .4564(3) .4444(2) .0601(8) Ueq . . C C5 .3635(3) .3526(2) .4360(2) .0501(6) Ueq . . C C6 .3327(2) .2229(2) .3434(2) .0377(6) Ueq . . C C7 .4286(2) .1190(2) .3456(2) .0397(6) Ueq . . C C8 .5196(2) -.0960(2) .2983(2) .0505(6) Ueq . . C C9 .4678(3) -.2163(3) .3218(2) .0550(6) Ueq . . C C10 .3751(2) -.3273(2) .2148(2) .0487(6) Ueq . . C C11 .1274(2) -.3698(2) .1626(2) .0403(5) Ueq . . C C12 -.0211(2) -.3526(2) .1259(2) .0367(5) Ueq . . C C13 -.1223(3) -.4462(2) .1285(2) .0490(6) Ueq . . C C14 -.2639(3) -.4420(3) .0928(2) .0543(6) Ueq . . C C15 -.3096(3) -.3441(3) .0499(2) .0536(6) Ueq . . C C16 -.2144(2) -.2516(2) .0436(2) .0441(6) Ueq . . C C17 -.0679(2) -.2525(2) .0824(2) .0351(5) Ueq . . C C18 .2859(2) -.1451(2) -.0646(2) .0433(6) Ueq . . C C19 .3931(3) -.1869(4) -.1454(3) .1031(12) Ueq . . C C20 .0256(2) .0338(2) .3437(2) .0456(6) Ueq . . C C21 -.1272(3) .2059(3) .4355(3) .0900(12) Ueq . . C C22 .1048(3) .1880(3) .5499(2) .0650(10) Ueq . . C H2 .042 .295 .203 .0621 Ueq . . H H3 .098 .505 .362 .0760 Ueq . . H H4 .301 .543 .509 .0773 Ueq . . H H5 .447 .368 .495 .0659 Ueq . . H H7 .518 .149 .398 .0519 Ueq . . H H11 .148 -.453 .171 .0507 Ueq . . H H13 -.090 -.516 .154 .0646 Ueq . . H H14 -.331 -.504 .098 .0709 Ueq . . H H15 -.408 -.340 .025 .0684 Ueq . . H H16 -.247 -.187 .012 .0583 Ueq . . H H20 -.044 .008 .272 .0595 Ueq . . H H81 .594 -.043 .362 .0671 Ueq . . H H82 .554 -.132 .226 .0671 Ueq . . H H91 .412 -.182 .382 .0697 Ueq . . H H92 .547 -.255 .350 .0697 Ueq . . H H101 .421 -.347 .148 .0621 Ueq . . H H102 .366 -.407 .231 .0621 Ueq . . H H191 .462 -.221 -.122 .1343 Ueq . . H H192 .350 -.253 -.221 .1343 Ueq . . H H193 .405 -.108 -.166 .1343 Ueq . . H H211 -.177 .167 .369 .1203 Ueq . . H H212 -.170 .209 .503 .1203 Ueq . . H H213 -.093 .299 .452 .1203 Ueq . . H H221 .178 .133 .551 .0823 Ueq . . H H222 .144 .276 .562 .0823 Ueq . . H H223 .066 .191 .621 .0823 Ueq . . 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 Cd .03590(10) .03468(9) .03243(8) .00482(8) -.00119(8) .01611(7) Cd Ni .03120(10) .03250(10) .03150(10) .00540(10) .00300(10) .01519(8) Ni O1 .0433(8) .0309(6) .0359(6) .0025(6) -.0046(6) .0118(5) O O2 .0319(7) .0345(6) .0469(6) .0003(6) .0008(6) .0225(5) O O3 .0435(8) .0518(7) .0374(6) .0115(6) .0117(6) .0226(5) O O4 .0480(8) .0584(8) .0413(7) .0145(7) .0093(6) .0250(5) O O5 .0508(8) .0507(8) .0442(7) .0161(7) .0163(6) .0198(6) O N1 .0306(8) .0461(9) .0351(7) .0073(7) .0031(7) .0170(6) N N2 .0385(9) .0384(8) .0390(7) .0118(7) .0094(7) .0200(6) N N3 .0460(10) .0460(10) .0463(9) .0088(9) .0133(8) .0117(7) N C1 .0400(10) .0332(9) .0358(9) -.0021(8) .0043(8) .0159(7) C C2 .0520(10) .0370(10) .0490(10) .0040(10) -.0040(10) .0178(8) C C3 .070(2) .0320(10) .0620(10) .0110(10) .0060(10) .0130(10) C C4 .078(2) .0330(10) .0510(10) -.0030(10) -.0010(10) .0030(10) C C5 .0550(10) .0430(10) .0430(10) -.0070(10) -.0030(10) .0125(9) C C6 .0390(10) .0380(10) .0348(9) -.0025(9) .0036(8) .0145(7) C C7 .0330(10) .0490(10) .0332(9) -.0025(9) -.0002(8) .0149(7) C C8 .0350(10) .0540(10) .0560(10) .0100(10) .0010(10) .0180(10) C C9 .0460(10) .0670(10) .0560(10) .0230(10) .0000(10) .0327(9) C C10 .0440(10) .0480(10) .0620(10) .0179(9) .0110(10) .0298(8) C C11 .0520(10) .0349(9) .0425(9) .0125(9) .0156(9) .0215(7) C C12 .0440(10) .0332(9) .0346(9) .0025(9) .0122(8) .0133(7) C C13 .0620(10) .0410(10) .0490(10) -.0010(10) .0179(9) .0201(8) C C14 .0530(10) .0510(10) .0600(10) -.0110(10) .0180(10) .0202(9) C C15 .0400(10) .0540(10) .0590(10) -.0050(10) .0100(10) .0140(10) C C16 .0370(10) .0440(10) .0490(10) .0033(9) .0079(9) .0162(8) C C17 .0370(10) .0316(9) .0333(9) .0026(8) .0081(8) .0086(7) C C18 .0440(10) .0490(10) .0401(9) .0070(10) .0111(9) .0196(8) C C19 .084(2) .194(3) .0770(10) .073(2) .0480(10) .0880(10) C C20 .0460(10) .0490(10) .0430(10) .0070(10) .0123(9) .0178(8) C C21 .073(2) .084(2) .092(2) .0390(10) .021(2) .010(2) C C22 .072(2) .065(2) .0460(10) -.0070(10) .0120(10) .0090(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 Ni Cd . . 3.2274(5) yes Cd O1 . . 2.2600(10) yes Cd O2 . . 2.263(2) yes Cd O4 . . 2.293(2) yes Ni O1 . . 2.030(2) yes Ni O2 . . 2.0120(10) yes Ni O3 . . 2.047(2) yes Ni O5 . . 2.190(2) yes Ni N1 . . 2.039(2) yes Ni N2 . . 2.021(2) yes O1 C1 . . 1.309(2) yes O2 C17 . . 1.319(3) yes O3 C18 . . 1.246(3) yes O4 C18 . . 1.257(3) yes O5 C20 . . 1.230(3) yes N1 C7 . . 1.274(3) no N1 C8 . . 1.466(3) no N2 C10 . . 1.467(3) no N2 C11 . . 1.281(3) no N3 C20 . . 1.322(3) no N3 C21 . . 1.449(4) no N3 C22 . . 1.442(3) no C1 C2 . . 1.409(3) no C1 C6 . . 1.418(3) no C2 C3 . . 1.369(3) no C2 H2 . . .95 no C3 C4 . . 1.378(4) no C3 H3 . . .95 no C4 C5 . . 1.368(4) no C4 H4 . . .95 no C5 C6 . . 1.399(3) no C5 H5 . . .95 no C6 C7 . . 1.451(3) no C7 H7 . . .95 no C8 C9 . . 1.522(4) no C8 H81 . . .95 no C8 H82 . . .95 no C9 C10 . . 1.516(3) no C9 H91 . . .95 no C9 H92 . . .95 no C10 H101 . . .95 no C10 H102 . . .95 no C11 C12 . . 1.455(3) no C11 H11 . . .95 no C12 C13 . . 1.405(4) no C12 C17 . . 1.414(3) no C13 C14 . . 1.362(3) no C13 H13 . . .95 no C14 C15 . . 1.384(4) no C14 H14 . . .95 no C15 C16 . . 1.377(4) no C15 H15 . . .95 no C16 C17 . . 1.407(3) no C16 H16 . . .95 no C18 C19 . . 1.509(4) no C19 H191 . . .82 no C19 H192 . . .942 no C19 H193 . . .987 no C20 H20 . . .95 no C21 H211 . . .821 no C21 H212 . . .98 no C21 H213 . . .977 no C22 H221 . . .923 no C22 H222 . . .956 no C22 H223 . . 1.004 no