Information card for entry 2224817

Structure parameters

• Chemical name: Bis(μ-4-hydroxybenzoato-κ^2^<i>O</i>:<i>O</i>')bis[triaquabis(4- hydroxybenzoato)-κ<i>O</i>;κ^2^<i>O</i>,<i>O</i>'-terbium(III)] decahydrate
• Formula: C42 H62 O34 Tb2
• Calculated formula: C42 H62 O34 Tb2
• SMILES: C1(c2ccc(cc2)O)=[O][Tb]2(O1)(OC(=O)c1ccc(O)cc1)([O]=C(O[Tb]1([O]=C(c3ccc(cc3)O)O1)(OC(=O)c1ccc(O)cc1)([O]=C(O2)c1ccc(O)cc1)([OH2])([OH2])[OH2])c1ccc(O)cc1)([OH2])([OH2])[OH2].O.O.O.O.O.O.O.O.O.O
• Title of publication: Bis(μ-4-hydroxybenzoato-κ^2^<i>O</i>:<i>O</i>')bis[triaquabis(4-hydroxybenzoato)-κ<i>O</i>;κ^2^<i>O</i>,<i>O</i>'-terbium(III)] decahydrate
• Authors of publication: Zhu, Yi-Min; Feng, Pei-Pei; Yang, Yang-Yi; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: m54 - m55
• a: 10.8308 ± 0.0005 Å
• b: 11.3337 ± 0.0006 Å
• c: 11.5128 ± 0.0006 Å
• α: 90.463 ± 0.001°
• β: 101.69 ± 0.001°
• γ: 105.249 ± 0.001°
• Cell volume: 1332.37 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0203
• Residual factor for significantly intense reflections: 0.0182
• Weighted residual factors for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections included in the refinement: 0.0588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes