Information card for entry 4307480

Structure parameters

• Formula: C50 H56 B N2 P
• Calculated formula: C50 H56 B N2 P
• Title of publication: One-Step Redox Route to N-Heterocyclic Phosphenium Ions
• Authors of publication: Gregor Reeske; Alan H. Cowley
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 1426 - 1430
• a: 20.593 ± 0.005 Å
• b: 17.637 ± 0.005 Å
• c: 23.597 ± 0.005 Å
• α: 90°
• β: 91.069 ± 0.005°
• γ: 90°
• Cell volume: 8569 ± 4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1124
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No