Information card for entry 7054856

Structure parameters

• Formula: C22 H45 Ce I2 O2 Si3
• Calculated formula: C22 H45 Ce I2 O2 Si3
• SMILES: [Ce]1234(I)(I)([O]5CCCC5)([O]5CCCC5)[c]5([c]1([Si](C)(C)C)[cH]2[c]3([Si](C)(C)C)[cH]45)[Si](C)(C)C
• 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: 11.8979 ± 0.0007 Å
• b: 14.6707 ± 0.0007 Å
• c: 37.397 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6527.7 ± 0.6 ų
• Cell temperature: 150.01 ± 0.11 K
• Ambient diffraction temperature: 150.01 ± 0.11 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1065
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No