Information card for entry 4344835

Structure parameters

• Formula: B3 Cs H12 N2
• Calculated formula: B3 Cs H12 N2
• 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: 18.89 ± 0.004 Å
• b: 9.6485 ± 0.0018 Å
• c: 8.1285 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1481.5 ± 0.5 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 52
• Hermann-Mauguin space group symbol: P n c n
• Hall space group symbol: -P 2ab 2n
• Residual factor for all reflections: 0.0669
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.0603
• Goodness-of-fit parameter for all reflections: 1.99
• 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