Yu-Heng Deng

Crystal structure of diaquadichloro(1,10-phenanthroline)chromium(III) chloride dihydrate, [CrCl2(C12H8N2)(H2O)2]Cl ·2H2O

C12H16Cl3CrN2O4, orthorhombic, Pccn (no. 56), a = 6.851(2) Å, b = 11.716(4) Å, c = 21.283(7) Å, V = 1708.3 Å, Z = 4, Rgt(F) = 0.040, wRref(F) = 0.139, T = 293 K. Source of material A solution of phenanthroline (phen, 90 mg, 0.5 mmol) in 10 ml ethanol was slowly added to a solution of CrCl3 · 6H2O (133 mg, 0.5 mmol) in 30 ml water. The reaction mixture was stirred for 3 hours with refluxing and then filtered. The resulting blue filtrate was allowed to stand at room temperature. After two weeks, gray prism-shaped crystals suitable for X-ray analysis were obtained. Experimental details All the hydrogen atoms of the water molecules were found in difference Fourier maps. And the other H atoms were treated as riding-model for phenanthroline with alkylene d(C—H) = 0.93 Å, and their Uiso = 1.2Ueq(carrier atom).