Information card for entry 4308590

Structure parameters

• Chemical name: Thallium-tetracyanoborate
• Formula: C4 B N4 Tl
• Calculated formula: C4 B N4 Tl
• SMILES: [B](C#N)(C#N)(C#N)C#N.[Tl+]
• 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: 7.0644 ± 0.0004 Å
• b: 7.0644 ± 0.0004 Å
• c: 14.6791 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 732.57 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1326
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No