Information card for entry 2239675

Structure parameters

• Chemical name: Diaquatris(4-oxopent-2-en-2-olato-κ^2^<i>O</i>,<i>O</i>')lanthanum(III)
• Formula: C15 H25 La O8
• Calculated formula: C15 H25 La O8
• SMILES: [La]123([OH2])([O]=C(C=C(O3)C)C)([O]=C(C)C=C(O2)C)([O]=C(C=C(O1)C)C)[OH2]
• Title of publication: Redetermination of diaquatris(4-oxopent-2-en-2-olato-κ^2^<i>O</i>,<i>O</i>')lanthanum(III)
• Authors of publication: Okawara, Toru; Ishihama, Kohei; Takehara, Kenji
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 7
• Pages of publication: m258 - m259
• a: 8.9245 ± 0.0012 Å
• b: 10.6597 ± 0.0015 Å
• c: 11.3727 ± 0.0015 Å
• α: 96.614 ± 0.002°
• β: 100.601 ± 0.002°
• γ: 114.325 ± 0.002°
• Cell volume: 946.8 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0228
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0579
• Weighted residual factors for all reflections included in the refinement: 0.0583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes