Information card for entry 2242096

Structure parameters

• Chemical name: Formamidinium iodide
• Formula: C H5 I N2
• Calculated formula: C H5 I N2
• SMILES: [I-].[NH2+]=CN
• Title of publication: Formamidinium iodide: crystal structure and phase transitions
• Authors of publication: Petrov, Andrey A.; Goodilin, Eugene A.; Tarasov, Alexey B.; Lazarenko, Vladimir A.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 4
• Pages of publication: 569 - 572
• a: 4.8211 ± 0.0006 Å
• b: 13.776 ± 0.003 Å
• c: 7.0113 ± 0.001 Å
• α: 90°
• β: 98.06 ± 0.03°
• γ: 90°
• Cell volume: 461.06 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0402
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.9699 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes