Information card for entry 4125798

Structure parameters

• Formula: C21 H13 F6 N
• Calculated formula: C21 H13 F6 N
• 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: 13.4015 ± 0.0003 Å
• b: 16.3553 ± 0.0004 Å
• c: 8.0023 ± 0.0002 Å
• α: 90°
• β: 104.143 ± 0.001°
• γ: 90°
• Cell volume: 1700.82 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.0456
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No