Information card for entry 7234022

Structure parameters

• Formula: C8 H6 Na O9 Tb
• Calculated formula: C8 H6 Na O9 Tb
• Title of publication: Series of 3D lanthanide MOFs derived from saddle-like alicyclic tetracarboxylate ligands: synthesis, characterization and structure‒photoluminescence correlations
• Authors of publication: Wang, Jia-Yin; Shi, Yang; Tao, Dong-Liang; Bo, Qi-Bing
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 43
• Pages of publication: 6591
• a: 7.9177 ± 0.0005 Å
• b: 8.8354 ± 0.0006 Å
• c: 14.1274 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 988.3 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0262
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections included in the refinement: 0.0506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No