Information card for entry 4322458

Structure parameters

• Chemical name: LiBH4*PMDTA
• Formula: C9 H27 B Li N3
• Calculated formula: C9 H27 B Li N3
• SMILES: [Li]123([H][BH2][H]1)[N](C)(C)CC[N]3(C)CC[N]2(C)C
• Title of publication: Metal Tetrahydridoborates and Tetrahydridoborato Metalates. 23.1 Amine Solvates of Lithium and Sodium Tetrahydridoborate
• Authors of publication: Hans-Hermann Giese; Tassilo Habereder; Heinrich Nöth; Werner Ponikwar; Steffen Thomas; Marcus Warchhold
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 4188 - 4196
• a: 14.683 ± 0.012 Å
• b: 11.83 ± 0.007 Å
• c: 16.96 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2946 ± 3 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1896
• Residual factor for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections: 0.2948
• Weighted residual factors for significantly intense reflections: 0.203
• Goodness-of-fit parameter for all reflections: 1.023
• Goodness-of-fit parameter for significantly intense reflections: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No