Information card for entry 7122215

Structure parameters

• Formula: C42 H72 La2 Si6
• Calculated formula: C42 H72 La2 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: 11.747 ± 0.005 Å
• b: 20.28 ± 0.004 Å
• c: 20.734 ± 0.008 Å
• α: 90°
• β: 94.11 ± 0.03°
• γ: 90°
• Cell volume: 4927 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1331
• Goodness-of-fit parameter for all reflections included in the refinement: 0.876
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No