Information card for entry 4101418

Structure parameters

• Formula: C40 H60 Lu2
• Calculated formula: C40 H60 Lu2
• SMILES: [Lu]123456789([c]%11([c]1([c]2([c]3([c]4%11C)C)C)C)C)([H][Lu]1234%11%12%13%14([c]%15([c]1([c]2([c]3([c]4%15C)C)C)C)C9)[c]1([c]%14([c]%13([c]%12([c]%111C)C)C)C)C)[c]1([c]8([c]7([c]6([c]51C)C)C)C)C
• Title of publication: Organolutetium vinyl and tuck-over complexes via C-H bond activation.
• Authors of publication: Evans, William J; Champagne, Timothy M; Ziller, Joseph W
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 44
• Pages of publication: 14270 - 14271
• a: 10.4914 ± 0.0014 Å
• b: 12.8272 ± 0.0017 Å
• c: 13.8975 ± 0.0018 Å
• α: 76.451 ± 0.002°
• β: 80.45 ± 0.002°
• γ: 87.137 ± 0.002°
• Cell volume: 1792.9 ± 0.4 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections included in the refinement: 0.0637
• 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