Information card for entry 4116439

Structure parameters

• Chemical name: borane ammonia
• Formula: B H6 N
• Calculated formula: B H6 N
• Title of publication: Study of the N-H...H-B Dihydrogen Bond Including the Crystal Structure of BH3NH3 by Neutron Diffraction
• Authors of publication: Wim T. Klooster; Thomas F. Koetzle; Per E. M. Siegbahn; Thomas B. Richardson; Robert H. Crabtree
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 6337 - 6343
• a: 5.395 ± 0.002 Å
• b: 4.887 ± 0.002 Å
• c: 4.986 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 131.46 ± 0.09 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 3
• Space group number: 31
• Hermann-Mauguin space group symbol: P m n 21
• Hall space group symbol: P 2ac -2
• Residual factor for all reflections: 0.2833
• Residual factor for significantly intense reflections: 0.1664
• Weighted residual factors for all reflections: 0.1602
• Weighted residual factors for significantly intense reflections: 0.1093
• Goodness-of-fit parameter for all reflections: 1.0467
• Goodness-of-fit parameter for significantly intense reflections: 1.0158
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 1.0462 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No