Information card for entry 4348025

Structure parameters

• Formula: C90 H48 Eu2 O36
• Calculated formula: C90 H48 Eu2 O36
• SMILES: C(=O)(c1ccc(C2=[O][Eu]3(OC(=O)c4ccc(C(=O)c5ccc(cc5)C(=O)O)cc4)([O]=C(c4ccc(C(=O)c5ccc(cc5)C(=O)O)cc4)O3)([OH2])([OH2])([OH2])[O]=C(c3ccc(C(=O)c4ccc(cc4)C(=O)O)cc3)O[Eu]3(O2)(OC(=O)c2ccc(C(=O)c4ccc(cc4)C(=O)O)cc2)([O]=C(c2ccc(C(=O)c4ccc(cc4)C(=O)O)cc2)O3)([OH2])([OH2])[OH2])cc1)c1ccc(cc1)C(=O)O
• Title of publication: Rethinking Sensitized Luminescence in Lanthanide Coordination Polymers and MOFs: Band Sensitization and Water Enhanced Eu Luminescence in [Ln(C15H9O5)3(H2O)3]n (Ln = Eu, Tb).
• Authors of publication: Einkauf, Jeffrey D.; Kelley, Tanya T.; Chan, Benny C.; de Lill, Daniel T.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 16
• Pages of publication: 7920 - 7927
• a: 27.981 ± 0.002 Å
• b: 11.2983 ± 0.0008 Å
• c: 11.8755 ± 0.0009 Å
• α: 90°
• β: 98.939 ± 0.001°
• γ: 90°
• Cell volume: 3708.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0916
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No