Information card for entry 1516444

Structure parameters

• Formula: C10 H38 Cl3 La O15
• Calculated formula: C10 H38 Cl3 La O15
• SMILES: [La]([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O.O1CCOCCOCCOCCOCC1.[Cl-].[Cl-].[Cl-]
• Title of publication: Optical Spectra and Crystal-Field Levels of [Cm(H2O)9]3+Ions withC3hSymmetry in Isotypic Rare-Earth Triflate and Ethyl Sulfate Salts
• Authors of publication: Lindqvist-Reis, Patric; Walther, Clemens; Klenze, Reinhardt; Edelstein, Norman M.
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2009
• Journal volume: 113
• Journal issue: 1
• Pages of publication: 449
• a: 10.7084 ± 0.0014 Å
• b: 15.3419 ± 0.0019 Å
• c: 15.984 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2626 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No