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C36H42N7O16PrS2, orthorhombic, Pccn (no. 56), a = 17.499(2) Å, b = 14.279(2) Å, c = 16.705(2) Å, V = 4173.9 Å, Z = 4, Rgt(F) = 0.026, wRref(F) = 0.068, T = 291 K. Source of material A mixture of Pr6O11 (0.02 mmol, 0.178 g), 4-aminobenzenesulfonate (1.0 mmol, 0.248 g), phen (0.5 mmol, 0.102 g), H2O (10.mL, 0.55 mmol) and two drops of nitric acid with the pH value of about 2.0, was sealed in a 25 ml Teflon-lined reaction vessel and was hold at 180 °C for 4 days, the reaction mixture was then cooled to room temperature over a period of 48 h. The product was collected by filtration, washed with H2O and air-dried. Red block-like crystals suitable for X-ray analysis were obtained. Elemental analysis — found: C, 41.65 %; H, 3.89 %; N, 9.97 %; calculated: C, 41.78 %; H, 4.06 %; N, 9.48 %. Experimental details H atoms bonded to C atoms were placed geometrically and treated as riding with d(C—H) = 0.93 Å and Uiso(H) = 1.2 Ueq(C). The water H atoms found from Fourier difference maps were refined with restraints for O—H distances (0.834 0.862 Å) and Uiso(H) = 1.5 Ueq(O). Discussion In the past few years, extensive attention had been paid to the research on the chemistry of the lanthanide complexes. The sulfonate group in metal complexes may act as monodentate, bidentate chelating or tridentate ligand to different metal ions according to the property of the metal ions and the number of water molecules therein [1]. Compared with many crystal structures of alkali, alkaline earth and transitional metal complexes of arylsulfonic acid reported in [2,3], relatively little was known about the rare earth complexes. Therefore we have chosen 4aminobenzenesulfonic acid as ligand and report herein the X-ray crystal structure of the title novel rare earth compound. In the title crystal structure, the Pr center is nine-coordinated by two O atoms from two different 4-aminobenzenesulfate anion, four N atoms from two 1,10-phenanthroline molecules, and the other three O atoms from three water molecules. Thus the Pr ion has a distorted monocapped square antiprismatic coordination. The bond lengths and angles around the Pr are in the range of 2.428(2) 2.782(2) Å and 69.28(5)° 142.0(1)°, respectively. It is worthwhile to note that hydrogen bonding interactions are usually important in the stabilization of supramolecular architecture. The O#H···O hydrogen bonding interactions between water molecules and 4-amino-benzenesulfate oxygen atoms link the complex molecules into a three-dimensional structure. In addition, the centroid-to-centroid distance of 3.560(2) 3.630(2) Å and smaller dihedral angle range from 0.2(1)° to 0.5(1)° between the planes of the nearest neighboring phen ligands and 4-aminobenzenesulfate indicate the presence of strong $-$ stacking interactions. Z. Kristallogr. NCS 224 (2009) 321-322 / DOI 10.1524/ncrs.2009.0143 321 © by Oldenbourg Wissenschaftsverlag, München

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

Crystal structure of triaqua-[bis(4-aminobenzenesulfonato-O)-bis(1,10- phenanthroline-κ  2 N,N′)praseodymium(III)] nitrate tetrahydrate, [Pr(H 2 O) 3 (C 6 H 6 O 3 NS) 2 (C 12 H 8 N 2 ) 2 ]NO 3  · 4H 2 O