Information card for entry 4113567

Structure parameters

• Formula: C58 H46 Cl6 O2 P2 Pt S2
• Calculated formula: C58 H46 Cl6 O2 P2 Pt S2
• SMILES: C(#Cc1ccc(cc1)SC(=O)C)[Pt]([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#Cc1ccc(SC(=O)C)cc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• 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: 15.518 ± 0.001 Å
• b: 8.485 ± 0.001 Å
• c: 22.144 ± 0.002 Å
• α: 90°
• β: 110.189 ± 0.001°
• γ: 90°
• Cell volume: 2736.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0499
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No