Information card for entry 4113577

Structure parameters

• Formula: C32 H44 O8 P2 Pt S2
• Calculated formula: C32 H44 O8 P2 Pt S2
• SMILES: C(#Cc1ccc(cc1)SC(=O)C)[Pt]([P](OCC)(OCC)OCC)(C#Cc1ccc(cc1)SC(=O)C)[P](OCC)(OCC)OCC
• Title of publication: Ligand Effects on Charge Transport in Platinum(II) Acetylides
• Authors of publication: Terence L. Schull; James G. Kushmerick; Charles H. Patterson; Clifford George; Martin H. Moore; Steven K. Pollack; Ranganathan Shashidhar
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 3202 - 3203
• a: 7.43 ± 0.001 Å
• b: 29.662 ± 0.001 Å
• c: 9.374 ± 0.001 Å
• α: 90°
• β: 112.34 ± 0.01°
• γ: 90°
• Cell volume: 1910.9 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No