Information card for entry 7226165

Structure parameters

• Chemical name: Complex 4
• Formula: C10 H14 K O17 Tb
• Calculated formula: C10 H14 K O17 Tb
• SMILES: C12=C(C(=O)C(=O)C1=O)O[Tb]1(O2)([OH2])([OH2])([OH2])([OH2])(OC2=C(C(=O)C(C2=O)=O)O1)[OH2].[K+].O.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: 16.031 ± 0.003 Å
• b: 12.505 ± 0.003 Å
• c: 8.4522 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1694.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0272
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0469
• Weighted residual factors for all reflections included in the refinement: 0.0489
• Goodness-of-fit parameter for all reflections included in the refinement: 0.897
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No