Information card for entry 4103950

Structure parameters

• Formula: C49 H60 La O P S2
• Calculated formula: C49 H60 La O P S2
• SMILES: [La]123456789([O]=P(c%10ccccc%10)(c%10ccccc%10)c%10ccccc%10)(SC(=[S]1)C1(C(=C(C(=C1C)C)C)C)C)([c]1([c]5([c]4([c]3([c]21C)C)C)C)C)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C
• Title of publication: Reactivity of (C5Me5)3LaLx Complexes: Synthesis of a Tris(pentamethylcyclopentadienyl) Complex with Two Additional Ligands, (C5Me5)3La(NCCMe3)2
• Authors of publication: William J. Evans; Thomas J. Mueller; Joseph W. Ziller
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 2678 - 2686
• a: 12.0956 ± 0.0019 Å
• b: 12.0752 ± 0.0019 Å
• c: 31.142 ± 0.005 Å
• α: 90°
• β: 91.606 ± 0.002°
• γ: 90°
• Cell volume: 4546.7 ± 1.2 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No