Information card for entry 7232551

Structure parameters

• Formula: C8 H18 Al K N2 O12
• Calculated formula: C8 H18 Al K N2 O12
• Title of publication: The structural, phonon and optical properties of [CH3NH3]M0.5CrxAl0.5−x(HCOO)3 (M = Na, K; x = 0, 0.025, 0.5) metal‒organic framework perovskites for luminescence thermometry
• Authors of publication: Ptak, Maciej; Dziuk, Błażej; Stefańska, Dagmara; Hermanowicz, Krzysztof
• Journal of publication: Physical Chemistry Chemical Physics
• Year of publication: 2019
• a: 8.1644 ± 0.0008 Å
• b: 9.0972 ± 0.001 Å
• c: 12.2715 ± 0.0013 Å
• α: 90°
• β: 90.289 ± 0.01°
• γ: 90°
• Cell volume: 911.43 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1949
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1533
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No