Information card for entry 2108791

Structure parameters

• Common name: Imidazolium hexa-aqua-aluminium disulphate
• Formula: C3 H17 Al N2 O14 S2
• Calculated formula: C3 H16.9998 Al N1.9998 O14 S2
• Title of publication: Structure, ferroelasticity and Goldilocks zone phase transitions in C~3~H~5~N~2~Al(SO~4~)~2~·6H~2~O
• Authors of publication: Zarychta, Bartosz; Czapla, Zbigniew; Przesławski, Janusz; Szklarz, Przemysław
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 2
• a: 6.8748 ± 0.0005 Å
• b: 6.8748 ± 0.0005 Å
• c: 9.155 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 374.72 ± 0.06 ų
• Cell temperature: 345 ± 0.1 K
• Ambient diffraction temperature: 345 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 164
• Hermann-Mauguin space group symbol: P -3 m 1
• Hall space group symbol: -P 3 2"
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes