Synthesis and Crystal Structure of an Ionic Compound [Fe(CN)_6·(PhCH_2NC_9H_7)_4]·12H_2O

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A novel ionic compound [Fe(CN)6(PhCH2NC9H7)4]·12H2O (C70H80FeN10O12, Mr = 1309.29) has been synthesized and its structure was characterized by IR, elemental analysis and X-ray diffraction. The compound crystallizes in triclinic, space group P1, with a = 10.968(7), b = 11.466(7), c = 14.077(8) , α = 87.014(7), β = 78.124(7), γ = 72.708(7)o, V = 1654.1(17) 3, Z = 1, Dc = 1.314 g·cm–3, F(000) = 692, μ = 0.298 mm–1, the final R = 0.0519 and wR = 0.1355. The building unit of the title compound consists of four (PhCH2N+C9H7) ions, one [Fe(CN)6]4– anion, and a dozen water molecules. According to the structural analysis, [Fe(CN)6]4– ions are linked together by O–H···O and O–H···N hydrogen bonds, while (PhCH2N+C9H7) and [Fe(CN)6]4– ions interact with each other by electrostatic force to form an ionic compound. A novel ionic compound [Fe (CN) 6 (PhCH2NC9H7) 4] .12H2O (C70H80FeN10O12, Mr = 1309.29) has been synthesized and its structure was characterized by IR, elemental analysis and X-ray diffraction. The compound crystallizes in triclinic, space group P1 with a = 10.968 (7), b = 11.466 (7), c = 14.077 (8) , α = 87.014 (7), β = 78.124 1654.1 (17) 3, Z = 1, Dc = 1.314 g · cm -3, F (000) = 692, μ = 0.298 mm-1, the final R = 0.0519 and wR = 0.1355. The building unit of the title (Fe (CN) 6] 4-anion, and a dozen water molecules. According to the structural analysis, [Fe (CN) 6] 4-ions are linked together by O -H ··· O and O-H · N hydrogen bonds, while (PhCH2N + C9H7) and [Fe (CN) 6] 4-ion interact with each other by electrostatic force to form an ionic compound.
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