Information card for entry 7122214

Structure parameters

• Formula: C84 H144 Si12 Y4
• Calculated formula: C84 H144 Si12 Y4
• 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: 11.761 ± 0.008 Å
• b: 13.119 ± 0.006 Å
• c: 15.744 ± 0.008 Å
• α: 87.01 ± 0.04°
• β: 81.33 ± 0.05°
• γ: 86.58 ± 0.05°
• Cell volume: 2395 ± 2 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0917
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1432
• Weighted residual factors for all reflections included in the refinement: 0.1544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No