Information card for entry 7248201

Structure parameters

• Formula: C24.5 H67 Si7 Yb
• Calculated formula: C24.5007 H67.002 Si7.0002 Yb
• Title of publication: Geometry and electronic structure of Yb(III)[CH(SiMe₃)₂]₃ from EPR and solid-state NMR augmented by computations.
• Authors of publication: Ashuiev, Anton; Allouche, Florian; Islam, Md Ashraful; Carvalho, José P; Sanders, Kevin J.; Conley, Matthew P.; Klose, Daniel; Lapadula, Giuseppe; Wörle, Michael; Baabe, Dirk; Walter, Marc D.; Pell, Andrew J.; Copéret, Christophe; Jeschke, Gunnar; Pintacuda, Guido; Andersen, Richard A.
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 11
• Pages of publication: 8734 - 8747
• a: 16.18 ± 0.0008 Å
• b: 16.18 ± 0.0008 Å
• c: 8.5692 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1942.8 ± 0.16 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 159
• Hermann-Mauguin space group symbol: P 3 1 c
• Hall space group symbol: P 3 -2c
• Residual factor for all reflections: 0.0197
• Residual factor for significantly intense reflections: 0.0175
• Weighted residual factors for significantly intense reflections: 0.0351
• Weighted residual factors for all reflections included in the refinement: 0.0359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No