Information card for entry 7031793

Structure parameters

• Formula: C64 H32 Ce2 F40 O10
• Calculated formula: C64 H32 Ce2 F40 O10
• SMILES: C(c1c(c(c(c(c1F)F)F)F)F)O[Ce]1(OCc2c(F)c(c(c(c2F)F)F)F)([O](Cc2c(F)c(c(c(c2F)F)F)F)[Ce]([O]2CCCC2)(OCc2c(c(c(c(c2F)F)F)F)F)(OCc2c(c(c(c(c2F)F)F)F)F)(OCc2c(c(c(c(c2F)F)F)F)F)[O]1Cc1c(c(c(c(c1F)F)F)F)F)([O]1CCCC1)OCc1c(c(c(c(c1F)F)F)F)F
• Title of publication: Variation of electronic transitions and reduction potentials of cerium(iv) complexes.
• Authors of publication: Williams, Ursula J.; Schneider, David; Dorfner, Walter L.; Maichle-Mössmer, Cäcilia; Carroll, Patrick J.; Anwander, Reiner; Schelter, Eric J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 43
• Pages of publication: 16197 - 16206
• a: 10.7924 ± 0.0006 Å
• b: 12.1912 ± 0.0007 Å
• c: 14.0728 ± 0.0007 Å
• α: 82.987 ± 0.002°
• β: 81.252 ± 0.002°
• γ: 66.025 ± 0.002°
• Cell volume: 1668.43 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0594
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 0.81
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No