Information card for entry 7054852

Structure parameters

• Formula: C44 H84 I2 La2 Si8
• Calculated formula: C44 H84 I2 La2 Si8
• SMILES: [c]12([cH]3[c]4([cH]5[cH]1[La]167892345([I][La]2345%10%11%12%13([c]%14([cH]2[c]3([cH]4[cH]5%14)[Si](C)(C)C)[Si](C)(C)C)([I]1)[c]1([cH]%10[cH]%11[c]%12([cH]%131)[Si](C)(C)C)[Si](C)(C)C)[c]1([cH]6[cH]7[c]8([cH]91)[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: 10.7116 ± 0.0019 Å
• b: 11.485 ± 0.003 Å
• c: 13.285 ± 0.003 Å
• α: 72.517 ± 0.019°
• β: 83.217 ± 0.015°
• γ: 79.146 ± 0.017°
• Cell volume: 1527.7 ± 0.6 ų
• Cell temperature: 100.03 ± 0.11 K
• Ambient diffraction temperature: 100.03 ± 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: 0.1663
• Residual factor for significantly intense reflections: 0.0976
• Weighted residual factors for significantly intense reflections: 0.1642
• Weighted residual factors for all reflections included in the refinement: 0.2255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No