Information card for entry 4125793

Structure parameters

• Formula: C49 H68 Ce F6 N5 O7 Rb
• Calculated formula: C49 H68 Ce F6 N5 O7 Rb
• Title of publication: Cerium(IV) Imido Complexes: Structural, Computational, and Reactivity Studies.
• Authors of publication: Solola, Lukman A.; Zabula, Alexander V.; Dorfner, Walter L.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 6
• Pages of publication: 2435 - 2442
• a: 11.0902 ± 0.0011 Å
• b: 28.429 ± 0.003 Å
• c: 16.8064 ± 0.0017 Å
• α: 90°
• β: 93.708 ± 0.005°
• γ: 90°
• Cell volume: 5287.7 ± 0.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0595
• Weighted residual factors for all reflections included in the refinement: 0.0612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No