Information card for entry 1547404

Structure parameters

• Formula: C36 H90 Ce Li N6 O9 Si6
• Calculated formula: C36 H90 Ce Li N6 O9 Si6
• SMILES: [Ce]1(ON(=[O]1)=O)(N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C.[O]12CC[O]3CCN4CC[O]5CC[O]6CC[N]7(CC1)CC[O](CCOCC4)[Li]23567
• Title of publication: Synthesis of a Terminal Ce(IV) Oxo Complex by Photolysis of a Ce(III) Nitrate Complex
• Authors of publication: Assefa, Mikiyas; Wu, Guang; Hayton, Trevor W.
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• a: 11.389 ± 0.0006 Å
• b: 34.79 ± 0.002 Å
• c: 14.0047 ± 0.0008 Å
• α: 90°
• β: 92.144 ± 0.003°
• γ: 90°
• Cell volume: 5545.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0481
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No