Information card for entry 7047324

Structure parameters

• Formula: C20 H30 Cl Sc
• Calculated formula: C20 H30 Cl Sc
• Title of publication: Solid-state ⁴⁵Sc NMR studies of Cp*₂Sc-X and Cp*₂ScX(THF).
• Authors of publication: Huynh, Winn; Culver, Damien B.; Tafazolian, Hosein; Conley, Matthew P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 37
• Pages of publication: 13063 - 13071
• a: 10.7408 ± 0.0008 Å
• b: 21.3333 ± 0.0017 Å
• c: 16.7347 ± 0.0013 Å
• α: 90°
• β: 90.199 ± 0.0013°
• γ: 90°
• Cell volume: 3834.5 ± 0.5 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: 0.0628
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No