Information card for entry 4333353

Structure parameters

• Formula: C40 H160 B10 N10 O0.25
• Calculated formula: C22 H88 B5 N5 O22
• Title of publication: Preparation of Ammonia Borane in High Yield and Purity, Methanolysis, and Regeneration
• Authors of publication: Ramachandran, P. Veeraraghavan; Gagare, Pravin D.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 19
• Pages of publication: 7810 - 7817
• a: 22.4122 ± 0.0009 Å
• b: 12.0086 ± 0.0003 Å
• c: 18.885 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5082.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0706
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No