Information card for entry 1547406

Structure parameters

• Formula: C36 H90 Ce Li N5 O7 Si6
• Calculated formula: C36 H90 Ce Li N5 O7 Si6
• SMILES: C1C[O]2CC[O]3CCN4CC[O]5CC[O]6CC[N]71CC[O](CCOCC4)[Li]23567.C[Si](C)(C)N([Ce](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)=O)[Si](C)(C)C
• 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: 16.2803 ± 0.0014 Å
• b: 15.8306 ± 0.0016 Å
• c: 22.128 ± 0.002 Å
• α: 90°
• β: 109.57 ± 0.005°
• γ: 90°
• Cell volume: 5373.5 ± 0.9 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: 0.1773
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.1493
• Weighted residual factors for all reflections included in the refinement: 0.1866
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No