Information card for entry 7031792

Structure parameters

• Formula: C172 H136 Ce2 O8
• Calculated formula: C172 H136 Ce2 O8
• 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: 22.8092 ± 0.0009 Å
• b: 22.1996 ± 0.0009 Å
• c: 24.9446 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12630.8 ± 0.8 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 54
• Hermann-Mauguin space group symbol: P c c a
• Hall space group symbol: -P 2a 2ac
• Residual factor for all reflections: 0.0903
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No