Information card for entry 4322456

Structure parameters

• Chemical name: Tris(p-benzylpyridine) Lithium Tetrahydridoborate
• Formula: C36 H37 B Li N3
• Calculated formula: C36 H37 B Li N3
• SMILES: [n]1(ccc(cc1)Cc1ccccc1)[Li]1([n]2ccc(cc2)Cc2ccccc2)([n]2ccc(cc2)Cc2ccccc2)[H][BH2][H]1
• 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: 10.1206 ± 0.0014 Å
• b: 12.417 ± 0.002 Å
• c: 13.462 ± 0.003 Å
• α: 83.189 ± 0.002°
• β: 86.068 ± 0.003°
• γ: 69.166 ± 0.004°
• Cell volume: 1569.3 ± 0.5 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 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: 0.3024
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1836
• Goodness-of-fit parameter for all reflections included in the refinement: 0.834
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No