Information card for entry 4309625

Structure parameters

• Formula: C20 H49 O4 Sc Si3
• Calculated formula: C20 H49 O4 Sc Si3
• SMILES: [Si](C[Sc]123([O]4CC[O]1CC[O]2CC[O]3CC4)(C[Si](C)(C)C)C[Si](C)(C)C)(C)(C)C
• Title of publication: Cationic Rare-Earth Metal Trimethylsilylmethyl Complexes Supported by THF and 12-Crown-4 Ligands: Synthesis and Structural Characterization
• Authors of publication: Benjamin R. Elvidge; Stefan Arndt; Peter M. Zeimentz; Thomas P. Spaniol; Jun Okuda
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 6777 - 6788
• a: 10.849 ± 0.004 Å
• b: 15.69 ± 0.002 Å
• c: 17.256 ± 0.003 Å
• α: 90°
• β: 97.5 ± 0.02°
• γ: 90°
• Cell volume: 2912.2 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0944
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No