Information card for entry 4319320

Structure parameters

• Formula: C15 H23 La O16
• Calculated formula: C15 H23 La O16
• SMILES: [La](OC1=C(C(=O)C1=O)C)(OC1=C(C(=O)C1=O)C)(OC1=C(C(=O)C1=O)C)([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O
• Title of publication: Lanthanide(III) Methylsquarates: Synthesis and X-ray Structures
• Authors of publication: Bert D. Alleyne; Avril R. Williams; Lincoln A. Hall; Andrew J. P. White; David J. Williams
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 1045 - 1051
• a: 10.438 ± 0.0015 Å
• b: 14.813 ± 0.002 Å
• c: 15.151 ± 0.002 Å
• α: 90°
• β: 108.212 ± 0.014°
• γ: 90°
• Cell volume: 2225.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0695
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for all reflections: 0.1064
• Weighted residual factors for significantly intense reflections: 0.0904
• Goodness-of-fit parameter for all reflections: 1.09
• Goodness-of-fit parameter for significantly intense reflections: 1.177
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No