Information card for entry 7122212

Structure parameters

• Formula: C42 H72 Lu2 Si6
• Calculated formula: C42 H72 Lu2 Si6
• Title of publication: The "Wanderlust" of Me₃Si groups in rare-earth triple-decker complexes: a combined experimental and computational study.
• Authors of publication: Lorenz, Volker; Liebing, Phil; Bathelier, Adrien; Engelhardt, Felix; Maron, Laurent; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 73
• Pages of publication: 10280 - 10283
• a: 9.8651 ± 0.0003 Å
• b: 39.2173 ± 0.0009 Å
• c: 12.3474 ± 0.0004 Å
• α: 90°
• β: 92.598 ± 0.003°
• γ: 90°
• Cell volume: 4772.1 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• 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: 0.0397
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.0661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No