Information card for entry 4113565

Structure parameters

• Formula: C57 H81 Cl3 O2 P2 Pt S2
• Calculated formula: C57 H81 Cl3 O2 P2 Pt S2
• 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: 24.237 ± 0.001 Å
• b: 9.791 ± 0.001 Å
• c: 24.416 ± 0.001 Å
• α: 90°
• β: 94.729 ± 0.002°
• γ: 90°
• Cell volume: 5774.3 ± 0.7 ų
• Cell temperature: 366 ± 2 K
• Ambient diffraction temperature: 366 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No