Information card for entry 7237848

Structure parameters

• Formula: C10 H22 Cr N2 Na O12
• Calculated formula: C10 H22 Cr N2 Na O12
• SMILES: C(=O)O[Cr](OC=O)(OC=O)(OC=O)(OC=O)OC=O.[Na+].C([NH3+])C.[NH3+]CC
• Title of publication: Pressure-enhanced ferroelectric polarisation in a polar perovskite-like [C2H5NH3]Na0.5Cr0.5(HCOO)3 metal‒organic framework
• Authors of publication: Ptak, Maciej; Collings, Ines E.; Svane, Katrine L.; Sieradzki, Adam; Paraguassu, Waldeci; Mączka, Mirosław
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 28
• Pages of publication: 8660
• a: 8.0529 ± 0.001 Å
• b: 7.885 ± 0.001 Å
• c: 11.838 ± 0.005 Å
• α: 90°
• β: 86.22 ± 0.02°
• γ: 90°
• Cell volume: 750 ± 0.3 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: 0.1581
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 0.588
• Diffraction radiation wavelength: 0.41134 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No