Information card for entry 7054853

Structure parameters

• Formula: C44 H84 Ce2 I2 Si8
• Calculated formula: C44 H84 Ce2 I2 Si8
• SMILES: [c]12([cH]3[c]4([cH]5[cH]1[Ce]167892345([c]2([cH]1[cH]6[c]7([cH]82)[Si](C)(C)C)[Si](C)(C)C)[I][Ce]12345678([c]%10([cH]1[cH]2[c]3([cH]4%10)[Si](C)(C)C)[Si](C)(C)C)([I]9)[c]1([cH]5[c]6([cH]7[cH]81)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[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: 10.7177 ± 0.0007 Å
• b: 11.5326 ± 0.0007 Å
• c: 13.3332 ± 0.0008 Å
• α: 72.794 ± 0.005°
• β: 83.327 ± 0.005°
• γ: 78.87 ± 0.005°
• Cell volume: 1541.59 ± 0.17 ų
• Cell temperature: 150.02 ± 0.11 K
• Ambient diffraction temperature: 150.02 ± 0.11 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No