Information card for entry 7226164

Structure parameters

• Chemical name: Complex 3
• Formula: C12 H16 N O15 Tb
• Calculated formula: C12 H16 N O15 Tb
• SMILES: [Tb]1([n]2c(ccc(c2)C(=O)O)C(=O)O1)([O]=C1C(=O)C(=O)C(=O)C1=O)([OH2])([OH2])([OH2])([OH2])[OH2].O
• Title of publication: Construction of multifunctional materials based on Tb3+and croconic acid, directed by K+cations: synthesis, structures, fluorescence, magnetic and ferroelectric behaviors
• Authors of publication: Jia, Yu-Qi; Feng, Si-Si; Shen, Mei-Lin; Lu, Li-Ping
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 28
• Pages of publication: 5344
• a: 9.483 ± 0.0019 Å
• b: 13.725 ± 0.003 Å
• c: 14.272 ± 0.003 Å
• α: 90°
• β: 105.18 ± 0.03°
• γ: 90°
• Cell volume: 1792.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.72 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No