Information card for entry 4064804

Structure parameters

• Formula: C43 H44 P2 Pt S2
• Calculated formula: C43 H44 P2 Pt S2
• SMILES: [Pt]1(Sc2c(cccc2C)C)(Sc2c(cccc2C)C)[P](c2ccccc2)(c2ccccc2)CCC[P]1(c1ccccc1)c1ccccc1
• 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: 18.87 ± 0.003 Å
• b: 18.146 ± 0.003 Å
• c: 11.1925 ± 0.0013 Å
• α: 90°
• β: 103.291 ± 0.01°
• γ: 90°
• Cell volume: 3729.8 ± 1 ų
• Cell temperature: 200 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 0.564
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No