Information card for entry 1547407

Structure parameters

• Formula: C39 H99 Ce Li N5 O7 Si7
• Calculated formula: C39 H99 Ce Li N5 O7 Si7
• SMILES: C[Si](C)(C)O[Ce](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.C1CN2CC[O]3CC[O]4CC[N]56CC[O]7CC[O]1[Li]3467[O](CC5)CCOCC2
• 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: 19.3389 ± 0.0007 Å
• b: 15.0467 ± 0.0005 Å
• c: 21.7679 ± 0.0008 Å
• α: 90°
• β: 107.901 ± 0.002°
• γ: 90°
• Cell volume: 6027.5 ± 0.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No