Information card for entry 7120761

Structure parameters

• Formula: C59 H36 Ce N4 O5
• Calculated formula: C59 H36 Ce N4 O5
• Title of publication: Th(IV) and Ce(IV) Napthylsalophen Sandwich Complexes: Characterization of Unusual Thorium Fluorescence in Solution and Solid-state
• Authors of publication: Hardy, Emily Elizabeth; Wyss, Kevin M.; Gorden, John D.; Ariyarathna, Isuru R.; Miliordos, Evangelos; Gorden, Anne E. V.
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 13.0103 ± 0.0008 Å
• b: 13.9521 ± 0.0008 Å
• c: 26.197 ± 0.0015 Å
• α: 90°
• β: 99.6888 ± 0.0012°
• γ: 90°
• Cell volume: 4687.5 ± 0.5 ų
• Cell temperature: 180.45 K
• Ambient diffraction temperature: 180.45 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0683
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No