Information card for entry 4075154

Structure parameters

• Formula: C24 H62 I La O3 Si6
• Calculated formula: C24 H62 I La O3 Si6
• SMILES: [La]12(I)([O]([Si](C1([Si](C)(C)C)[Si](C)(C)C)(C)C)C)([O]([Si](C2([Si](C)(C)C)[Si](C)(C)C)(C)C)C)[O]1CCCC1
• Title of publication: Heteroleptic Complexes of Lanthanum(III) and Neodymium(III) with Oxygen- or Nitrogen-Functionalized Tris(triorganosilyl)methyl Ligands
• Authors of publication: Bowman, Lyndsey J.; Izod, Keith; Clegg, William; Harrington, Ross W.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 12
• Pages of publication: 2999
• a: 9.9596 ± 0.0003 Å
• b: 11.8759 ± 0.0004 Å
• c: 16.6935 ± 0.0006 Å
• α: 95.403 ± 0.001°
• β: 92.415 ± 0.001°
• γ: 103.775 ± 0.001°
• Cell volume: 1904.92 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.229
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No