Information card for entry 4344833

Structure parameters

• Formula: B3 H12 K N2
• Calculated formula: B3 H12 K N2
• SMILES: [BH2][NH2][BH2][NH2][BH3].[K+]
• Title of publication: Complete Series of Alkali-Metal M(BH3NH2BH2NH2BH3) Hydrogen-Storage Salts Accessed via Metathesis in Organic Solvents.
• Authors of publication: Owarzany, Rafał; Fijalkowski, Karol J.; Jaroń, Tomasz; Leszczyński, Piotr J; Dobrzycki, Łukasz; Cyrański, Michał K; Grochala, Wojciech
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 55
• Journal issue: 1
• Pages of publication: 37
• a: 4.7091 ± 0.0019 Å
• b: 7.599 ± 0.002 Å
• c: 18.744 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 670.7 ± 0.4 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for all reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.0462
• Goodness-of-fit parameter for all reflections: 2.32
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No