Information card for entry 7012268

Structure parameters

• Chemical name: [Sc(N2_Mes_Npy)(CH2SiMe3)(THF)]
• Formula: C37 H57 N3 O1.5 Sc Si
• Calculated formula: C37 H52 N3 O1.5 Sc Si
• Title of publication: Scandium chloride, alkyl and phenyl complexes of diamido-donor ligands
• Authors of publication: Benjamin D. Ward; Stuart R. Dubberley; Aline Maisse-François; Lutz H. Gade; Philip Mountford
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 24
• Pages of publication: 4649 - 4657
• a: 9.2011 ± 0.0002 Å
• b: 10.1961 ± 0.0003 Å
• c: 20.9786 ± 0.0006 Å
• α: 93.499 ± 0.005°
• β: 102.357 ± 0.005°
• γ: 103.593 ± 0.005°
• Cell volume: 1855.78 ± 0.11 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for all reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections: 2.043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.487
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No