Information card for entry 7012265

Structure parameters

• Chemical name: [Sc(N2_TMS_Npy)Cl(THF)]
• Formula: C19 H37 Cl N3 O Sc Si2
• Calculated formula: C19 H37 Cl N3 O Sc Si2
• SMILES: [Sc]12(Cl)(N([Si](C)(C)C)CC(CN1[Si](C)(C)C)(C)c1[n]2cccc1)[O]1CCCC1
• 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: 19.1126 ± 0.0004 Å
• b: 13.1361 ± 0.0002 Å
• c: 19.5217 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4901.22 ± 0.16 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for all reflections included in the refinement: 0.0246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0645
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No