Information card for entry 7244729

Structure parameters

• Formula: C23 H19 N7
• Calculated formula: C23 H19 N7
• Title of publication: Towards hydrogen and halogen bonded frameworks based on 3,5-bis(triazolyl)pyridinium motifs
• Authors of publication: Foyle, Émer M.; Tay, Hui Min; White, Nicholas G.
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 34.4367 ± 0.0018 Å
• b: 4.3516 ± 0.0002 Å
• c: 28.1754 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4222.2 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0999
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections: 0.2416
• Weighted residual factors for significantly intense reflections: 0.2219
• Weighted residual factors for all reflections included in the refinement: 0.241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0025
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No