Information card for entry 7232549

Structure parameters

• Formula: C8 H18 Cr N2 Na O12
• Calculated formula: C8 H18 Cr N2 Na O12
• SMILES: C(=O)O[Cr](OC=O)(OC=O)(OC=O)(OC=O)OC=O.[Na+].[NH3+]C.C[NH3+]
• 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: 8.0317 ± 0.0004 Å
• b: 8.7854 ± 0.0005 Å
• c: 11.9391 ± 0.0007 Å
• α: 90°
• β: 90.923 ± 0.005°
• γ: 90°
• Cell volume: 842.33 ± 0.08 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: 0.0638
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 0.873
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No