Information card for entry 8104923

Structure parameters

• Common name: aqua-tris(1,3-diphenylpropane-1,3-dionato)-lanthanum(iii)
• Chemical name: aqua-tris(1,3-diphenylpropane-1,3-dionato)-lanthanum(iii)
• Formula: C45 H35 La O7
• Calculated formula: C45 H34.9998 La O7
• Title of publication: The crystal structure of aqua-tris (1,3-diphenylpropane-1,3-dionato-κ2 O,O′)-lanthanum(III), C45H35LaO7
• Authors of publication: Hickson, Matthew; Sephton, Abigail; Dugmore, Travis; Hosten, Eric C.; Betz, Richard
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 1
• Pages of publication: 205 - 207
• a: 22.3832 ± 0.0011 Å
• b: 22.3832 ± 0.0011 Å
• c: 6.4522 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2799.5 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0193
• Residual factor for significantly intense reflections: 0.0192
• Weighted residual factors for significantly intense reflections: 0.0462
• Weighted residual factors for all reflections included in the refinement: 0.0462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No