Information card for entry 4066900

Structure parameters

• Formula: C22 H27 Br0.5 Cl0.5 N P Si
• Calculated formula: C22 H27 Br0.5 Cl0.5 N P Si
• SMILES: [P+](Nc1ccccc1)(C[Si](C)(C)C)(c1ccccc1)c1ccccc1.[P+](Nc1ccccc1)(C[Si](C)(C)C)(c1ccccc1)c1ccccc1.[Br-].[Cl-]
• Title of publication: Facile Synthesis of Bifunctional Ligands using LiCH2PPh2═NPh Obtained from [PhNH−PPh3+][Br−]
• Authors of publication: Cao, Thi-Phuong-Anh; Payet, Elina; Auffrant, Audrey; Le Goff, Xavier F.; Le Floch, Pascal
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 17
• Pages of publication: 3991
• a: 18.378 ± 0.001 Å
• b: 11.475 ± 0.001 Å
• c: 22.068 ± 0.001 Å
• α: 90°
• β: 108.329 ± 0.001°
• γ: 90°
• Cell volume: 4417.8 ± 0.5 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No