Information card for entry 1502675

Structure parameters

• Common name: Ammonia Trifluoroborane
• Formula: B F3 H3 N
• Calculated formula: B F3 H3 N
• Title of publication: Charge transfer via the dative N-B bond and dihydrogen contacts. Experimental and theoretical electron density studies of small Lewis acid-base adducts.
• Authors of publication: Mebs, Stefan; Grabowsky, Simon; Förster, Diana; Kickbusch, Rainer; Hartl, Monika; Daemen, Luke L.; Morgenroth, Wolfgang; Luger, Peter; Paulus, Beate; Lentz, Dieter
• Journal of publication: The journal of physical chemistry. A
• Year of publication: 2010
• Journal volume: 114
• Journal issue: 37
• Pages of publication: 10185 - 10196
• a: 8.0067 ± 0.0008 Å
• b: 7.9511 ± 0.0008 Å
• c: 9.2216 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 587.07 ± 0.1 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.024
• Residual factor for significantly intense reflections: 0.014
• Weighted residual factors for all reflections included in the refinement: 0.031
• RFsqd: 0.029
• Goodness-of-fit parameter for all reflections included in the refinement: 2.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No