Information card for entry 2242357

Structure parameters

• Chemical name: Triaquatris(1,1,1-trifluoro-4-oxopentan-2-olato-κ^2^<i>O</i>,<i>O</i>')cerium(III)
• Formula: C15 H18 Ce F9 O9
• Calculated formula: C15 H18 Ce F9 O9
• Title of publication: Structure of triaquatris(1,1,1-trifluoro-4-oxopentan-2-olato)cerium(III) as a possible fluorescent compound
• Authors of publication: Koizumi, Atsuya; Hasegawa, Takuya; Itadani, Atsushi; Toda, Kenji; Zhu, Taoyun; Sato, Mineo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 2
• Pages of publication: 229 - 232
• a: 11.6347 ± 0.0007 Å
• b: 16.5121 ± 0.0009 Å
• c: 24.5577 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4717.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes