Information card for entry 7201124

Structure parameters

• Formula: C36 H34 N3 O11 Tb
• Calculated formula: C36 H30 N3 O11 Tb
• SMILES: c12c(c(c3ccccc3)no2)C(CC)=[O][Tb]23(O1)(Oc1c(c(c4ccccc4)no1)C(=[O]2)CC)(Oc1c(c(c2ccccc2)no1)C(CC)=[O]3)([OH2])[OH2]
• Title of publication: 3-Phenyl-4-acyl-5-isoxazolonate complex of Tb3+ doped into poly-β-hydroxybutyrate matrix as a promising light-conversion molecular device
• Authors of publication: Biju, Silvanose; Reddy, M. L. P.; Cowley, Alan H.; Vasudevan, Kalyan V.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2009
• Journal volume: 19
• Journal issue: 29
• Pages of publication: 5179
• a: 22.803 ± 0.005 Å
• b: 5.9919 ± 0.0012 Å
• c: 26.097 ± 0.005 Å
• α: 90°
• β: 101.27 ± 0.03°
• γ: 90°
• Cell volume: 3497 ± 1.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.0886
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No