Information card for entry 2207614

Structure parameters

• Chemical name: Diaquatris(nitrato-κ^2^O,O')bis(4-pyridone-κO)lanthanum(III)
• Formula: C10 H14 La N5 O13
• Calculated formula: C10 H14 La N5 O13
• SMILES: c1cc(cc[nH]1)=[O][La]123(ON(=O)=[O]2)(ON(=[O]1)=O)([OH2])([O]=c1cc[nH]cc1)(ON(=[O]3)=O)[OH2]
• Title of publication: Diaquatris(nitrato-κ^2^<i>O</i>,<i>O</i>')bis(4-pyridone-κ<i>O</i>)lanthanum(III)
• Authors of publication: Deng, Zhao-Peng; Gao, Shan; Huo, Li-Hua; Zhao, Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: m2523 - m2525
• a: 11.051 ± 0.002 Å
• b: 8.9055 ± 0.0018 Å
• c: 19.203 ± 0.004 Å
• α: 90°
• β: 96.31 ± 0.03°
• γ: 90°
• Cell volume: 1878.4 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0162
• Residual factor for significantly intense reflections: 0.0159
• Weighted residual factors for significantly intense reflections: 0.0398
• Weighted residual factors for all reflections included in the refinement: 0.0399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.242
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes