Information card for entry 4308588

Structure parameters

• Chemical name: Ammonium-tetracyanoborate
• Formula: C8 H12 B N5 O
• Calculated formula: C8 H12 B N5 O
• SMILES: [B](C#N)(C#N)(C#N)C#N.C1CCCO1.[NH4+]
• Title of publication: Tetracyanoborate Salts M[B(CN)4] with M = Singly Charged Cations: Properties and Structures
• Authors of publication: Torsten Küppers; Eduard Bernhardt; Helge Willner; Henning W. Rohm; Martin Köckerling
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 1015 - 1022
• a: 8.831 ± 0.001 Å
• b: 9.366 ± 0.002 Å
• c: 15.061 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1245.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0876
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1932
• Weighted residual factors for all reflections included in the refinement: 0.2179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No