Information card for entry 2227679

Structure parameters

• Chemical name: Poly[[diaquatris(μ~2~-3-methylpyridine-2-carboxylato)(3-methylpyridine- 2-carboxylato)sodiumterbium(III)] ethanol monosolvate monohydrate]
• Formula: C30 H36 N4 Na O12 Tb
• Calculated formula: C30 H36 N4 Na O12 Tb
• SMILES: [Tb]1234([n]5c(c(ccc5)C)C(=O)O1)([n]1c(c(ccc1)C)C(=O)O2)([n]1c(c(ccc1)C)C(=O)O3)[n]1c(c(ccc1)C)C(=O)O4.[Na+].O.O.O.CCO
• Title of publication: Poly[[diaquatris(μ~2~-3-methylpyridine-2-carboxylato)(3-methylpyridine-2-carboxylato)sodiumterbium(III)] ethanol monosolvate monohydrate]
• Authors of publication: Lee, Taewoo; Kang, Sung Kwon
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: m1347 - m1348
• a: 18.4662 ± 0.0006 Å
• b: 18.529 ± 0.0005 Å
• c: 9.8939 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3385.3 ± 0.18 ų
• Cell temperature: 174 ± 2 K
• Ambient diffraction temperature: 174 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for all reflections included in the refinement: 0.0454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes