Information card for entry 4073202

Structure parameters

• Common name: [Sc{C5Me4SiMe(C4H3O-2)}(CH2SiMe3)2(THF)]
• Chemical name: [Sc{C5Me4SiMe(C4H3O-2)}(CH2SiMe3)2(THF)]
• Formula: C27 H47 O2 Sc Si3
• Calculated formula: C27 H47 O2 Sc Si3
• Title of publication: Ring-Opening of a Furyl Group Appended to the Cyclopentadienyl Ligand in Rare-Earth Metal Half-Sandwich Complexes
• Authors of publication: Hitzbleck, Julia; Okuda, Jun
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 13
• Pages of publication: 3227
• a: 18.278 ± 0.01 Å
• b: 9.313 ± 0.005 Å
• c: 19.002 ± 0.01 Å
• α: 90°
• β: 103.093 ± 0.01°
• γ: 90°
• Cell volume: 3150 ± 3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• 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: 0.0775
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.1573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No