Information card for entry 7048315

Structure parameters

• Formula: C12 H16 Al N4 Na O12
• Calculated formula: C12 H16 Al N4 Na O12
• SMILES: C(=O)O[Al](OC=O)(OC=O)(OC=O)(OC=O)OC=O.c1c[nH]c[nH+]1.[Na+].c1c[nH]c[nH+]1
• Title of publication: Novel bimetallic MOF phosphors with an imidazolium cation: structure, phonons, high- pressure phase transitions and optical response.
• Authors of publication: Ptak, Maciej; Zarychta, Bartosz; Stefańska, Dagmara; Ciupa, Aneta; Paraguassu, Waldeci
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 48
• Journal issue: 1
• Pages of publication: 242 - 252
• a: 12.2888 ± 0.0003 Å
• b: 12.416 ± 0.0003 Å
• c: 12.7236 ± 0.0003 Å
• α: 90°
• β: 90.02 ± 0.002°
• γ: 90°
• Cell volume: 1941.34 ± 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: 0.0582
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No