Information card for entry 4327556

Structure parameters

• Formula: C33 H29 P Pt S4
• Calculated formula: C33 H29 P Pt S4
• SMILES: [Pt]1([S]=C(S1)Sc1ccc(cc1)C)(Sc1ccc(cc1)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Insertion Reactions of (PPh3)2Pt(SR)2 with CS2, where R = H, CMe3, CHMe2, 4-C6H4Me; Structure of (PPh3)Pt(SC6H4Me)(S2CS-4-C6H4Me)
• Authors of publication: Alan Shaver; Mohammad El-Khateeb; Anne-Marie Lebuis
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 5288 - 5289
• a: 10.205 ± 0.001 Å
• b: 11.206 ± 0.002 Å
• c: 15.235 ± 0.002 Å
• α: 93.14 ± 0.02°
• β: 92.54 ± 0.02°
• γ: 114.14 ± 0.01°
• Cell volume: 1583.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections: 1.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No