Information card for entry 4130421

Structure parameters

• Formula: C45 H57 Ce F6 N5 O4
• Calculated formula: C45 H57 Ce F6 N5 O4
• SMILES: [Ce]123456(O[N]3(c3c(C[N]6(Cc6ccccc6[N]4(O1)C(C)(C)C)Cc1ccccc1[N]5(O2)C(C)(C)C)cccc3)C(C)(C)C)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F.O1CCCC1
• Title of publication: An Alkali Metal-Capped Cerium(IV) Imido Complex.
• 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: 2016
• Journal volume: 138
• Journal issue: 22
• Pages of publication: 6928 - 6931
• a: 11.9773 ± 0.0003 Å
• b: 17.8482 ± 0.0004 Å
• c: 20.9505 ± 0.0005 Å
• α: 90°
• β: 97.343 ± 0.001°
• γ: 90°
• Cell volume: 4441.93 ± 0.18 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.061
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No