Information card for entry 4322461

Structure parameters

• Formula: C9 H28 B N3 Na
• Calculated formula: C9 H22 B N3 Na
• SMILES: [BH4-].C[N]12CC[N]3(CC[N]([Na]23)(C)CC1)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: 13.859 ± 0.005 Å
• b: 13.859 ± 0.005 Å
• c: 13.859 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2661.9 ± 1.7 ų
• Cell temperature: 183 ± 3 K
• Ambient diffraction temperature: 183 ± 3 K
• Number of distinct elements: 5
• Space group number: 217
• Hermann-Mauguin space group symbol: I -4 3 m
• Hall space group symbol: I -4 2 3
• Residual factor for all reflections: 0.0916
• Residual factor for significantly intense reflections: 0.0871
• Weighted residual factors for significantly intense reflections: 0.2268
• Weighted residual factors for all reflections included in the refinement: 0.2305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No