Information card for entry 4344834

Structure parameters

• Formula: C18 H52 B3 N6 P
• Calculated formula: C18 H52 B3 N6 P
• SMILES: P123N(CC[N+]3(CCN1CC(C)C)CCN2CC(C)C)CC(C)C.[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: 10.2994 ± 0.0007 Å
• b: 16.7354 ± 0.0011 Å
• c: 17.2881 ± 0.0011 Å
• α: 109.271 ± 0.002°
• β: 106.083 ± 0.002°
• γ: 96.18 ± 0.002°
• Cell volume: 2636.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No