Information card for entry 7027126

Structure parameters

• Common name: bispyrazolylboron oxide dimer
• Formula: C24 H24 B4 N16 O2
• Calculated formula: C24 H24 B4 N16 O2
• 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: 9.4165 ± 0.0013 Å
• b: 16.3833 ± 0.0015 Å
• c: 18.6033 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2870 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1165
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for all reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.0559
• Goodness-of-fit parameter for all reflections: 0.557
• Goodness-of-fit parameter for significantly intense reflections: 0.77
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No