Information card for entry 4130420

Structure parameters

• Formula: C37 H59 Ce N5 O3 Si2
• Calculated formula: C37 H59 Ce N5 O3 Si2
• SMILES: [Ce]12345(N([SiH](C)C)[SiH](C)C)O[N]3(c3c(CN(Cc6ccccc6[N]4(O1)C(C)(C)C)Cc1ccccc1[N]5(O2)C(C)(C)C)cccc3)C(C)(C)C
• 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: 31.4376 ± 0.0008 Å
• b: 13.3371 ± 0.0004 Å
• c: 19.0763 ± 0.0005 Å
• α: 90°
• β: 91.084 ± 0.001°
• γ: 90°
• Cell volume: 7997 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0847
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No