Information card for entry 4348292

Structure parameters

• Formula: C12 H9 B F4 N4 O
• Calculated formula: C12 H9 B F4 N4 O
• SMILES: c1cnccc1c1[nH+]nc(o1)c1ccncc1.[B](F)(F)(F)[F-]
• Title of publication: Inorganic anion-assisted supramolecular assemblies of bent dipyridines: effects of anionic geometries on hydrogen-bonding networks
• Authors of publication: Ding, Xue-Hua; Wang, Shi; Li, Yong-Hua; Huang, Wei
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2015
• Journal volume: 2
• Journal issue: 3
• Pages of publication: 263
• a: 8.4767 ± 0.0017 Å
• b: 8.9502 ± 0.0018 Å
• c: 9.2925 ± 0.0019 Å
• α: 80.43 ± 0.03°
• β: 78.98 ± 0.03°
• γ: 80.97 ± 0.03°
• Cell volume: 676.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0923
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1845
• Weighted residual factors for all reflections included in the refinement: 0.2059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No