Crystalline structure and vibrational spectra of cis-dichlorodiammine-trans-dihydroxo- platinum(IV), PtCl2(NH3)2(OH)2

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Abstract
The structure of [the antineoplastic drug] cis-dichlorodiammine-trans-dihydroxoplatinum(IV), PtCl2(OH)2(NH3)2, was determined by X-ray diffraction. The tetragonal space group, P42/n, has cell dimensions a = 7.328(4), c = 11.362(5) .ANG. and has 4 formula units in the cell. Intensities were measured using MoK.alpha. radiation and a Syntex P21 diffractometer. The crystal structure was determined by standard methods and refined to R1 = 0.0460, R2 = 0.0639 based on 447 independent reflections. The Pt atom has roughly octahedral coordination; Pt.sbd.Cl, Pt.sbd.N, Pt.sbd.O distances (2.306(4), 2.00(1), 2.00(1) .ANG.) are normal. The crystal is held together by H-bonds; the vibrational spectra were correlated with observed features of the H-bonding.

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