data_2009075 _journal_name_full 'Acta Crystallographica' _journal_year 1999 _journal_volume C55 _journal_page_first 1652 _journal_page_last 1654 _publ_section_title ; Bis{(\m-nitrato)[\m-bis(salicylidene)-1,3-propanediaminato]copper(II)}zinc(II) ; loop_ _publ_author_name '\"Ulk\"u, Din\,cer' 'Tatar, Leyla' 'Atakol, Orhan' 'Durmu\;s, Sefa' _chemical_formula_moiety 'C34 H32 Cu2 N6 O10 Zn' _chemical_formula_sum 'C34 H32 Cu2 N6 O10 Zn' _chemical_formula_iupac '[Zn Cu2 (C17 H16 N2 O2)2 (N1 O3)2]' _chemical_formula_weight 877.14 _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 21/c' _symmetry_space_group_name_Hall '-P 2ybc' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '-x,y+1/2,1/2-z' '-x,-y,-z' 'x,1/2-y,z+1/2' _cell_length_a 9.0652(10) _cell_length_b 11.5566(11) _cell_length_c 16.2857(16) _cell_angle_alpha 90 _cell_angle_beta 100.558(8) _cell_angle_gamma 90 _cell_volume 1677.3(3) _cell_formula_units_Z 2 _cell_measurement_temperature 295 _exptl_crystal_density_diffrn 1.737 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 0 0 0 .0268(2) Ueq . . Zn Cu .23239(5) .18083(4) .06024(3) .02680(10) Ueq . . Cu O1 .1874(3) .0742(2) -.03350(10) .0281(6) Ueq . . O O2 .1142(3) .0694(2) .10960(10) .0289(6) Ueq . . O O3 -.1321(3) .1568(2) -.0346(2) .0387(8) Ueq . . O O4 .0247(3) .2971(2) .0045(2) .0465(10) Ueq . . O O5 -.2036(4) .3339(3) -.0516(3) .0749(14) Ueq . . O N1 .3947(3) .2533(3) .0135(2) .0317(8) Ueq . . N N2 .2451(3) .2822(3) .1577(2) .0308(8) Ueq . . N N3 -.1021(4) .2633(3) -.0269(2) .0365(12) Ueq . . N C1 .2847(4) .0335(3) -.0777(2) .0270(12) Ueq . . C C2 .2529(4) -.0679(3) -.1256(2) .0331(12) Ueq . . C C3 .3512(4) -.1084(4) -.1738(2) .0387(12) Ueq . . C C4 .4869(4) -.0531(4) -.1754(2) .0412(12) Ueq . . C C5 .5206(4) .0453(4) -.1289(2) .0371(12) Ueq . . C C6 .4211(4) .0911(3) -.0798(2) .0292(12) Ueq . . C C7 .4635(4) .1993(3) -.0372(2) .0349(12) Ueq . . C C8 .4504(5) .3717(4) .0372(3) .0473(12) Ueq . . C C9 .4464(5) .4057(4) .1255(3) .0481(12) Ueq . . C C10 .2909(5) .4027(3) .1470(3) .0447(12) Ueq . . C C11 .2119(4) .2522(3) .2272(2) .0349(12) Ueq . . C C12 .1636(4) .1393(3) .2495(2) .0318(12) Ueq . . C C13 .1593(5) .1179(4) .3338(2) .0456(14) Ueq . . C C14 .1248(5) .0119(5) .3612(3) .0543(14) Ueq . . C C15 .0945(5) -.0779(4) .3040(3) .0469(12) Ueq . . C C16 .0915(4) -.0595(4) .2200(2) .0376(12) Ueq . . C C17 .1235(4) .0498(3) .1908(2) .0277(12) Ueq . . C H2 .162 -.109 -.126 .0431 Uiso . . H H3 .326 -.176 -.207 .0507 Uiso . . H H4 .555 -.083 -.208 .0532 Uiso . . H H5 .613 .084 -.130 .0481 Uiso . . H H7 .553 .235 -.048 .0456 Uiso . . H H11 .219 .310 .269 .0456 Uiso . . H H13 .181 .179 .373 .0595 Uiso . . H H14 .121 .000 .419 .0709 Uiso . . H H15 .076 -.153 .323 .0608 Uiso . . H H16 .067 -.122 .182 .0494 Uiso . . H H81 .390 .425 .001 .0608 Uiso . . H H82 .551 .377 .029 .0608 Uiso . . H H91 .485 .482 .134 .0621 Uiso . . H H92 .509 .354 .162 .0621 Uiso . . H H101 .292 .444 .198 .0583 Uiso . . H H102 .222 .438 .103 .0583 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 .0227(3) .0307(3) .0272(3) -.0063(2) .0054(2) -.0105(2) Zn Cu .0288(2) .0244(2) .0272(2) -.0032(2) .0055(2) -.0104(2) Cu O1 .0240(10) .0310(10) .0310(10) -.0090(10) .0096(9) -.0100(10) O O2 .0330(10) .0310(10) .0230(10) -.0040(10) .0063(9) -.0150(10) O O3 .0340(10) .0250(10) .055(2) -.0020(10) .0030(10) -.0040(10) O O4 .037(2) .0320(10) .064(2) -.0010(10) -.0080(10) -.0080(10) O O5 .040(2) .040(2) .138(3) .013(2) -.001(2) .0060(10) O N1 .031(2) .0300(10) .0330(10) .0030(10) .0030(10) -.0140(10) N N2 .0260(10) .0290(10) .036(2) -.0050(10) .0020(10) -.0050(10) N N3 .034(2) .035(2) .041(2) .0010(10) .0080(10) .0000(10) N C1 .023(2) .035(2) .023(2) .0070(10) .0040(10) .0010(10) C C2 .029(2) .035(2) .035(2) -.001(2) .0050(10) .000(2) C C3 .038(2) .041(2) .037(2) -.002(2) .007(2) .009(2) C C4 .032(2) .054(2) .040(2) .003(2) .013(2) .016(2) C C5 .021(2) .054(2) .037(2) .011(2) .0070(10) .005(2) C C6 .023(2) .037(2) .027(2) .007(2) .0030(10) .000(2) C C7 .026(2) .042(2) .036(2) .011(2) .0040(10) -.011(2) C C8 .051(2) .036(2) .054(2) .003(2) .007(2) -.020(2) C C9 .049(2) .033(2) .059(2) -.006(2) .001(2) -.018(2) C C10 .053(2) .024(2) .054(2) -.010(2) .002(2) -.008(2) C C11 .029(2) .039(2) .034(2) -.016(2) -.001(2) -.002(2) C C12 .024(2) .043(2) .028(2) -.007(2) .0040(10) -.002(2) C C13 .044(2) .062(3) .030(2) -.011(2) .005(2) -.009(2) C C14 .049(2) .087(3) .027(2) .005(2) .007(2) -.012(2) C C15 .040(2) .057(2) .043(2) .016(2) .006(2) -.013(2) C C16 .036(2) .040(2) .037(2) .003(2) .007(2) -.011(2) C C17 .020(2) .036(2) .028(2) -.0030(10) .0070(10) -.0030(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 Cu . . 3.0017(6) yes Zn O1 . . 2.063(2) yes Zn O2 . . 2.055(2) yes Zn O3 . . 2.188(2) yes Cu O1 . . 1.945(2) yes Cu O2 . . 1.941(2) yes Cu O4 . . 2.355(3) yes Cu N1 . . 1.964(3) yes Cu N2 . . 1.959(3) yes O1 C1 . . 1.323(4) no O2 C17 . . 1.328(4) no O3 N3 . . 1.261(4) yes O4 N3 . . 1.233(4) yes O5 N3 . . 1.240(4) yes N1 C7 . . 1.284(5) no N1 C8 . . 1.484(5) no N2 C10 . . 1.473(5) no N2 C11 . . 1.270(5) no C1 C2 . . 1.407(5) no C1 C6 . . 1.410(5) no C2 C3 . . 1.374(6) no C2 H2 . . .95 no C3 C4 . . 1.391(6) no C3 H3 . . .95 no C4 C5 . . 1.369(6) no C4 H4 . . .95 no C5 C6 . . 1.413(6) no C5 H5 . . .95 no C6 C7 . . 1.447(5) no C7 H7 . . .95 no C8 C9 . . 1.497(6) no C8 H81 . . .95 no C8 H82 . . .95 no C9 C10 . . 1.515(7) no C9 H91 . . .95 no C9 H92 . . .95 no C10 H101 . . .95 no C10 H102 . . .95 no C11 C12 . . 1.443(6) no C11 H11 . . .95 no C12 C13 . . 1.402(5) no C12 C17 . . 1.410(5) no C13 C14 . . 1.359(7) no C13 H13 . . .95 no C14 C15 . . 1.389(6) no C14 H14 . . .95 no C15 C16 . . 1.379(6) no C15 H15 . . .95 no C16 C17 . . 1.398(5) no C16 H16 . . .95 no