Information card for entry 4340824

Structure parameters

• Formula: C8 H12 Pt S4
• Calculated formula: C8 H12 Pt S4
• SMILES: C1(=C(C)S[Pt]2(S1)SC(=C(C)S2)C)C
• Title of publication: A Structural and Spectroscopic Investigation of Octahedral Platinum Bis(dithiolene)phosphine Complexes: Platinum Dithiolene Internal Redox Chemistry Induced by Phosphine Association.
• Authors of publication: Chandrasekaran, P.; Greene, Angelique F.; Lillich, Karen; Capone, Stephen; Mague, Joel T.; DeBeer, Serena; Donahue, James P.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 17
• Pages of publication: 9192 - 9205
• a: 6.9778 ± 0.0014 Å
• b: 7.1911 ± 0.0014 Å
• c: 7.5203 ± 0.0015 Å
• α: 62.622 ± 0.003°
• β: 62.445 ± 0.002°
• γ: 88.558 ± 0.003°
• Cell volume: 288.52 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.016
• Residual factor for significantly intense reflections: 0.016
• Weighted residual factors for significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No