Information card for entry 7009627

Structure parameters

• Formula: C14 H14 N O P
• Calculated formula: C14 H14 N O P
• Title of publication: Coordination properties of novel hemilabile acetamide-derived P,O phosphine ligands. Crystal structures of Ph2PNHC(O)Me and [PdMe{PPh2NHC(O)Me}{PPh2NHC(O)Me}][O3SCF3] †
• Authors of publication: Braunstein, Pierre; Frison, Céline; Morise, Xavier; Adams, Richard D.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 13
• Pages of publication: 2205
• a: 8.094 ± 0.001 Å
• b: 9.5744 ± 0.0005 Å
• c: 17.02 ± 0.001 Å
• α: 90°
• β: 97.513 ± 0.007°
• γ: 90°
• Cell volume: 1307.65 ± 0.19 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 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 all reflections: 0.088
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.063
• Goodness-of-fit parameter for all reflections: 1.424
• Goodness-of-fit parameter for significantly intense reflections: 1.232
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No