Information card for entry 4075152

Structure parameters

• Formula: C22 H60 I La N2 Si6
• Calculated formula: C22 H60 I La N2 Si6
• SMILES: [La]12(I)([N]([Si](C1([Si](C)(C)C)[Si](C)(C)C)(C)C)(C)C)[N]([Si](C2([Si](C)(C)C)[Si](C)(C)C)(C)C)(C)C
• 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: 17.1751 ± 0.0003 Å
• b: 17.1751 ± 0.0003 Å
• c: 25.16 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7421.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0484
• Weighted residual factors for all reflections included in the refinement: 0.0544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No