Information card for entry 7031794

Structure parameters

• Formula: C118 H168 Ce2 D6 O12
• Calculated formula: C118 H168 Ce2 D6 O12
• 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: 13.6271 ± 0.0002 Å
• b: 14.2125 ± 0.0002 Å
• c: 15.8924 ± 0.0002 Å
• α: 68.798 ± 0.001°
• β: 69.149 ± 0.001°
• γ: 72.807 ± 0.001°
• Cell volume: 2632.04 ± 0.07 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0545
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No