Information card for entry 7232553

Structure parameters

• Formula: C8 H18 Cr K N2 O12
• Calculated formula: C8 H18 Cr 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: 8.1907 ± 0.0005 Å
• b: 9.0549 ± 0.0007 Å
• c: 12.2909 ± 0.0008 Å
• α: 90°
• β: 90.41 ± 0.006°
• γ: 90°
• Cell volume: 911.54 ± 0.11 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.1121
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No