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C84H72N12O60Y4, triclinic, P1 (no. 2), a = 13.618(3) Å, b = 14.038(3) Å, c = 14.664(3) Å, 0 = 94.08(3)°, 1 = 106.88(3)°, " = 103.06(3)°, V = 2584.9 Å, Z = 1, Rgt(F) = 0.035, wRref(F) = 0.090, T = 153 K. Source of material Amixture ofY2O3 (0.11 g, 0.5mmol), 4-nitrobenzoic acid (0.501 g, 3mmol) andwater (20ml)was sealed in a30mlTeflon-lined stainless steel reactor and heated for 48 h.A colorless solutionwas obtained after cooling the reaction to room temperature, light yellow single crystals were formed after 7 d. Experimental details Water hydrogen atoms ofwere located from theFourier difference maps and fitted to the electron density during refinements with d(O—H) = 0.85Å, the otherHatomswere added geometrically. Discussion In recent years, considerable efforts to novel rare earth aromatic carboxylate complexes have been actively made owing to their interesting structures, coordinationmodes and functional properties [1-3]. The title compound consists of a centrosymmetric tetranuclear complex and two solvent water molecules. The complex is composed by four yttrium atoms, twelve 4-nitrobenzoate groups, ten coordinated water molecules, withY1···Y2 separation of 4.932Å andY1···Y1 (symmetry code i: –x,–2–y,–z) separation of 4.960Å. Four yttrium atoms are bridged by six 4-nitrobenzoate groups, leading to the formation of three eight-membered (2Y, 2C, 4O) rings along four yttrium atoms with.Y1–Y2–Y1 = 167.01°. The eight-membered rings are approximately coplanar, with maximum deviations of 0.155Å forO13 atom and 0.069Å forO19 or O20 atom from the corresponding best planes.The dihedral angle of two adjacent eight-membered ring planes is 35.12°. The coordination environment of Y atom can be described as a distorted square antiprism with O1W, O14, O23, O16 (plane I) and O2W, O20,O24,O19 (plane II) at the tetragonal bases forY1 atomwith O13,O4W,O22,O21 (plane III) andO5W,O15,O3W,O18 (plane IV) at the tetragonal bases for Y2 atom, the dihedral angle between plane I and plane II is 8.24°, and the distances betweenY1 and the two planes are –1.208Å, 1.233Å, respectively; the dihedral angle between plane III and plane IV is 2.01°, and the distances betweenY2 and the two planes are 1.411Å and –1.174Å, respectively. The coordination involves six carboxylate oxygen atoms from five 4-nitrobenzoate groups (four%2-bridging 4-nitrobenzoate groups and one bidentate 4-nitrobenzoate group) and two watermolecule oxygen atoms for theY1 atom, five carboxylate oxygen atoms from four 4-nitrobenzoate groups (two %2-bridging 4nitrobenzoate groups, one bidentate and one monodentate 4nitrobenzoate group) and three water molecule oxygen atom for theY2 atom. The 4-nitrobenzoate groups exhibit three coordination modes. The first mode is monodentate with distances of 2.258(2)Å forO18—Y2, the second mode is chelating bidentate with distances of 2.475(2)Å, 2.417(2)Å forO21—Y2,O22—Y2 Z. Kristallogr. NCS 222 (2007) 219-221 / DOI 10.1524/ncrs.2007.0091 219 © by OldenbourgWissenschaftsverlag,München

zeitschrift für kristallographie. new crystal structures/zeitschrift für kristallographie. new crystal structures

Crystal structure of bis((pentaaqua)(4-nitrobenzoato-kO)bis(4-nitrobenzoato- kO,O′)tris(μ-4-nitrobenzoato-kO,O′)diyttrium(III)) dihydrate, Y 4 (H 2 O) 10 (C 7 H 4 NO 4 ) 12  · 2H 2 O