Information card for entry 4064806

Structure parameters

• Formula: C41 H40 P2 Pt S
• Calculated formula: C41 H40 P2 Pt S
• SMILES: [Pt]12(Sc3c(cccc3C)C2)[P](c2ccccc2)(c2ccccc2)CC[P]1(c1ccccc1)c1ccccc1.c1(ccccc1)C
• 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: 12.522 ± 0.005 Å
• b: 19.773 ± 0.006 Å
• c: 14.502 ± 0.005 Å
• α: 90°
• β: 99.92 ± 0.004°
• γ: 90°
• Cell volume: 3537 ± 2 ų
• Cell temperature: 199 K
• Ambient diffraction temperature: 199 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No