Information card for entry 7012969

Structure parameters

• Common name: [(L1)Sc(THF){(tBuC6H3O)CHCH2SiMe3-NPh}]
• Formula: C42 H55 N2 O3 Sc Si
• Calculated formula: C42 H55 N2 O3 Sc Si
• Title of publication: Synthesis and thermal reactivity of organoscandium and yttrium complexes of sterically less bulky salicylaldiminato ligandsElectronic supplementary information (ESI) available: Further experimental details. See http://www.rsc.org/suppdata/dt/b3/b303097k/
• Authors of publication: Emslie, David J. H.; Piers, Warren E.; Parvez, Masood
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 12
• Pages of publication: 2615
• a: 16.6766 ± 0.0001 Å
• b: 20.5525 ± 0.0002 Å
• c: 35.7789 ± 0.0004 Å
• α: 90°
• β: 93.5003 ± 0.0005°
• γ: 90°
• Cell volume: 12240.2 ± 0.2 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0765
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No