Information card for entry 4103946

Structure parameters

• Formula: C94 H96 B La O2 P2
• Calculated formula: C94 H88 B La O2 P2
• 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: 13.4632 ± 0.0017 Å
• b: 41.393 ± 0.005 Å
• c: 14.2084 ± 0.0017 Å
• α: 90°
• β: 96.432 ± 0.002°
• γ: 90°
• Cell volume: 7868.2 ± 1.7 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No