Information card for entry 4113566

Structure parameters

• Formula: C44 H68 O2 P2 Pt S2
• Calculated formula: C44 H68 O2 P2 Pt S2
• SMILES: [Pt]([P](CCCC)(CCCC)CCCC)([P](CCCC)(CCCC)CCCC)(C#Cc1ccc(SC(=O)C)cc1)C#Cc1ccc(cc1)SC(=O)C
• 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: 11.535 ± 0.001 Å
• b: 11.367 ± 0.001 Å
• c: 17.759 ± 0.001 Å
• α: 90°
• β: 95.8 ± 0.001°
• γ: 90°
• Cell volume: 2316.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No