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Crystal structure of Cs-2B6H5(SCN) German

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By reaction of B6H6(2-) With (SCN)(2) in dichloromethane at -80 C degrees the thiocyanatohexaborate anion is formed and can be isolated by ion exchange chromatography on diethylaminoethyl (DEAE) cellulose. The X-ray structure determination of Cs-2 B6H5(SCN) (orthorhombic, space group Pbca with a = 9.506(5), b = 10.644(5), c = 21.857(5) Angstrom, Z = 8) reveals that the SCN substituent is bonded via the S atom with the B-S distance of 1.885(9) Angstrom and the B-S-C angle of 99.8(5)degrees. The SCN group is nearly linear (179.9(9)degrees). References: 13

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