Information card for entry 7012266

Structure parameters

• Chemical name: [Sc(N2N_C2,TMS)Cl(THF)]
• Formula: C17 H43 Cl N3 O Sc Si3
• Calculated formula: C17 H43 Cl N3 O Sc Si3
• SMILES: [Sc]12(Cl)([O]3CCCC3)N([Si](C)(C)C)CC[N]2([Si](C)(C)C)CCN1[Si](C)(C)C
• 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: 10.5815 ± 0.0002 Å
• b: 21.2366 ± 0.0004 Å
• c: 12.6644 ± 0.0003 Å
• α: 90°
• β: 110.642 ± 0.001°
• γ: 90°
• Cell volume: 2663.18 ± 0.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for all reflections included in the refinement: 0.0312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0493
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No