Information card for entry 7027124

Structure parameters

• Common name: 1,4-(trans)bispyrazolylpyrazabole
• Formula: C12 H14 B2 N8
• Calculated formula: C12 H14 B2 N8
• Title of publication: Pyrazabole formation by thermolysis of the free acid of the hydrotris(pyrazolyl)borate ion
• Authors of publication: Kresiński, Roman A.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 3
• Pages of publication: 401
• a: 8.7432 ± 0.0011 Å
• b: 8.5509 ± 0.0009 Å
• c: 19.423 ± 0.0015 Å
• α: 90°
• β: 96.942 ± 0.009°
• γ: 90°
• Cell volume: 1441.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for all reflections: 0.104
• Weighted residual factors for significantly intense reflections: 0.0759
• Goodness-of-fit parameter for all reflections: 0.398
• Goodness-of-fit parameter for significantly intense reflections: 0.385
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No