Information card for entry 4103949

Structure parameters

• Formula: C57 H83 La N6
• Calculated formula: C57 H83 La N6
• SMILES: [La]123456789([N](=[N]1=NC1%10CC%11CC(CC(C1)C%11)C%10)C1(C(=C(C(=C1C)C)C)C)C)([N]#N=NC1%10CC%11CC(CC(C1)C%11)C%10)([c]1([c]5([c]4([c]3([c]21C)C)C)C)C)[c]1([c]9([c]8([c]7([c]61C)C)C)C)C.c1(ccccc1)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: 13.2291 ± 0.0008 Å
• b: 14.6728 ± 0.0009 Å
• c: 15.5581 ± 0.001 Å
• α: 76.555 ± 0.001°
• β: 76.062 ± 0.001°
• γ: 63.486 ± 0.001°
• Cell volume: 2595.5 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No