Information card for entry 4066561

Structure parameters

• Formula: C222 H206 Lu2 N12 O3 Si8
• Calculated formula: C222 H206 Lu2 N12 O3 Si8
• Title of publication: New Type of Reaction of Lanthanide Hydrido Complexes with C60: Oxidative Dehydrogenation vs Addition. The Reversible σ-C60−C60Bond Formation in Complex [{(Me3Si)2NC(NCy)2}2Lu(Et2O)+](C60−•)
• Authors of publication: Schupak, Elena A.; Lyubov, Dmitrii M.; Baranov, Evguenii V.; Fukin, Georgii K.; Suvorova, Olga N.; Trifonov, Alexander A.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 22
• Pages of publication: 6141
• a: 13.2071 ± 0.0016 Å
• b: 14.3767 ± 0.0017 Å
• c: 22.701 ± 0.003 Å
• α: 95.503 ± 0.002°
• β: 94.395 ± 0.002°
• γ: 94.845 ± 0.003°
• Cell volume: 4259.5 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1636
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No