Information card for entry 4116018

Structure parameters

• Common name: fac-trichloro{1C,N-(1'-ethanone, 1'-phenylato, oxime)} (S-methylthiomethane)platinum(IV)
• Formula: C10 H14 Cl3 N O Pt S
• Calculated formula: C10 Cl3 N O Pt S
• Title of publication: Mechanism of Biologically Relevant Deoxygenation of Dimethyl Sulfoxide Coupled with Pt(II) to Pt(IV) Oxidation of Orthoplatinated Oximes. Synthetic, Kinetic, Electrochemical, X-ray Structural, and Density Functional Study
• Authors of publication: Larissa Alexandrova; Oleg G. D'yachenko; Grigory M. Kazankov; Vladimir A. Polyakov; Pavel V. Samuleev; Enrique Sansores; Alexander D. Ryabov
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 5189 - 5200
• a: 7.1808 ± 0.0007 Å
• b: 8.317 ± 0.001 Å
• c: 12.725 ± 0.002 Å
• α: 93.87 ± 0.01°
• β: 98.78 ± 0.01°
• γ: 105.75 ± 0.01°
• Cell volume: 718.11 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0389
• Weighted residual factors for all reflections included in the refinement: 0.0389
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No