Information card for entry 7210072

Structure parameters

• Common name: guanidinium iodide
• Formula: C H6 I N3
• Calculated formula: C H6 I N3
• Title of publication: Origin of spontaneous polarization and reconstructive phase transition in guanidinium iodide
• Authors of publication: Szafrański, Marek; Jarek, Marcin
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 23
• Pages of publication: 4617
• a: 7.20163 ± 0.00011 Å
• b: 7.20163 ± 0.00011 Å
• c: 12.3501 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 554.706 ± 0.018 ų
• Cell temperature: 300 ± 0.1 K
• Ambient diffraction temperature: 300 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 186
• Hermann-Mauguin space group symbol: P 63 m c
• Hall space group symbol: P 6c -2c
• Residual factor for all reflections: 0.0203
• Residual factor for significantly intense reflections: 0.0169
• Weighted residual factors for significantly intense reflections: 0.0407
• Weighted residual factors for all reflections included in the refinement: 0.0416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.186
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No