Information card for entry 7237071

Structure parameters

• Formula: C8 H14 B2 F8 N2
• Calculated formula: C8 H14 B2 F8 N2
• Title of publication: Structures and phase transitions in molecular complexes containing tetrafluoroboric acid and tetramethylpyrazine
• Authors of publication: Rok, M.; Szklarz, P.; Bator, G.
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 38
• Pages of publication: 5772
• a: 10.87 ± 0.004 Å
• b: 9.528 ± 0.003 Å
• c: 12.575 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1302.4 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0686
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1595
• Weighted residual factors for all reflections included in the refinement: 0.1745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No