Information card for entry 4344836

Structure parameters

• Formula: B3 H12 N2 Rb
• Calculated formula: B3 H12 N2 Rb
• SMILES: [Rb+].[BH3][NH2][BH2][NH2][BH3]
• 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: 7.5748 ± 0.0012 Å
• b: 4.7269 ± 0.0007 Å
• c: 19.629 ± 0.003 Å
• α: 90°
• β: 97.304 ± 0.005°
• γ: 90°
• Cell volume: 697.12 ± 0.19 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• 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: 0.0294
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for all reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0326
• Goodness-of-fit parameter for all reflections: 1.18
• 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