Information card for entry 7244734

Structure parameters

• Formula: C27 H22 Cl I2 N7 O0.5
• Calculated formula: C27 H22 Cl I2 N7 O0.5
• 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: 16.037 ± 0.003 Å
• b: 20.726 ± 0.004 Å
• c: 8.525 ± 0.0017 Å
• α: 90°
• β: 101.95 ± 0.03°
• γ: 90°
• Cell volume: 2772.2 ± 1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0407
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for all reflections: 0.1215
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0079
• Diffraction radiation wavelength: 0.710751 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No