Information card for entry 4064799

Structure parameters

• Formula: C63 H66 P2 Pt S
• Calculated formula: C63 H66 P2 Pt S
• SMILES: [Pt](Sc1c(cccc1C)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)CC(C)(C)C.Cc1ccccc1.Cc1ccccc1
• Title of publication: Carbon‒Hydrogen Bond Cleavage Reaction in Four-Coordinate (2,6-Dimethylbenzenethiolato)platinum(II) Complexes. Dramatic Acceleration by Thiolato Hydrogen Acceptor
• Authors of publication: Hirano, Masafumi; Tatesawa, Shin-ya; Yabukami, Minoru; Ishihara, Yoko; Hara, Yusuke; Komine, Nobuyuki; Komiya, Sanshiro
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 19
• Pages of publication: 5110
• a: 12.6617 ± 0.0016 Å
• b: 14.789 ± 0.003 Å
• c: 17.011 ± 0.003 Å
• α: 83.722 ± 0.007°
• β: 70.328 ± 0.007°
• γ: 66.863 ± 0.006°
• Cell volume: 2757.2 ± 0.8 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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 significantly intense reflections: 0.0358
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No