Information card for entry 7054857

Structure parameters

• Formula: C32 H66 Ce I O Si6
• Calculated formula: C32 H66 Ce I O Si6
• SMILES: [Ce]12345678(I)([O]9CCCC9)([c]9([Si](C)(C)C)[c]1([cH]2[c]3([Si](C)(C)C)[cH]49)[Si](C)(C)C)[c]1([Si](C)(C)C)[c]5([Si](C)(C)C)[cH]6[c]7([Si](C)(C)C)[cH]81
• Title of publication: A structural investigation of heteroleptic lanthanide substituted cyclopentadienyl complexes
• Authors of publication: Ortu, Fabrizio; Fowler, Jonathan M.; Burton, Matthew; Formanuik, Alasdair; Mills, David P.
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 10
• Pages of publication: 7633
• a: 16.9173 ± 0.0004 Å
• b: 13.045 ± 0.0003 Å
• c: 20.6985 ± 0.0006 Å
• α: 90°
• β: 92.959 ± 0.002°
• γ: 90°
• Cell volume: 4561.8 ± 0.2 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.057
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No