Information card for entry 4347685

Structure parameters

• Formula: C36 H76 Ce Co2 F6 O27 P6 S2
• Calculated formula: C36 H76 Ce Co2 F6 O27 P6 S2
• Title of publication: Probing the Reactivity of the Ce═O Multiple Bond in a Cerium(IV) Oxo Complex.
• Authors of publication: So, Yat-Ming; Li, Yang; Au-Yeung, Ka-Chun; Wang, Guo-Cang; Wong, Kang-Long; Sung, Herman H. Y.; Arnold, Polly L.; Williams, Ian D.; Lin, Zhenyang; Leung, Wa-Hung
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 20
• Pages of publication: 10003 - 10012
• a: 20.2124 ± 0.0003 Å
• b: 13.0805 ± 0.0002 Å
• c: 23.8267 ± 0.0003 Å
• α: 90°
• β: 92.096 ± 0.001°
• γ: 90°
• Cell volume: 6295.29 ± 0.16 ų
• Cell temperature: 172.9 ± 0.3 K
• Ambient diffraction temperature: 172.9 ± 0.3 K
• Number of distinct elements: 8
• 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: 0.0663
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1448
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No