Information card for entry 7712748

Structure parameters

• Formula: C34 H48 Ce2 F6 O10 S2
• Calculated formula: C34 H48 Ce2 F6 O10 S2
• Title of publication: Evaluating the Photophysical and Photochemical Characteristics of Green-Emitting Cerium(III) Mono-Cyclooctatetraenide Complexes
• Authors of publication: Pandey, Pragati; Yang, Qiaomu; Gau, Michael; Schelter, Eric J.
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 19.8941 ± 0.0007 Å
• b: 12.7812 ± 0.0004 Å
• c: 18.0563 ± 0.0006 Å
• α: 90°
• β: 116.481 ± 0.004°
• γ: 90°
• Cell volume: 4109.5 ± 0.3 ų
• Cell temperature: 160 K
• Ambient diffraction temperature: 160 K
• Number of distinct elements: 6
• 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: 0.041
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No