Information card for entry 4307482

Structure parameters

• Formula: C14 H28 I3 N2 O P
• Calculated formula: C14 H28 I3 N2 O 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: 12.993 ± 0.005 Å
• b: 15.126 ± 0.005 Å
• c: 12.254 ± 0.005 Å
• α: 90°
• β: 110.922 ± 0.005°
• γ: 90°
• Cell volume: 2249.5 ± 1.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• 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: 0.0635
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No