Information card for entry 7006733

Structure parameters

• Common name: (R,R)-(Salcyc)Sc[N(SiHMe2)2]
• Chemical name: [N,N'-bis(3,5-di-tert.-butylsalicylidene)-trans-1,2-cyclohexylendiamino] [bis(dimethylsilyl)amido] scandium(III) (Salcyc)Sc[N(SiHMe2)2]
• Formula: C40 H66 N3 O2 Sc Si2
• Calculated formula: C40 H66 N3 O2 Sc Si2
• SMILES: [Sc]123(Oc4c(C=[N]2[C@H]2[C@H]([N]3=Cc3c(O1)c(cc(c3)C(C)(C)C)C(C)(C)C)CCCC2)cc(cc4C(C)(C)C)C(C)(C)C)N([SiH](C)C)[SiH](C)C
• Title of publication: Synthesis and structural characterization of scandium SALEN complexes.
• Authors of publication: Meermann, Christian; Sirsch, Peter; Törnroos, Karl W; Anwander, Reiner
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 8
• Pages of publication: 1041 - 1050
• a: 14.5528 ± 0.0001 Å
• b: 12.6006 ± 0.0001 Å
• c: 26.9905 ± 0.0002 Å
• α: 90°
• β: 103.727 ± 0.0003°
• γ: 90°
• Cell volume: 4808 ± 0.06 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0733
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1559
• Weighted residual factors for all reflections included in the refinement: 0.1647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No