Information card for entry 2227250

Structure parameters

• Chemical name: Bis({tris[2-(3,5-di-<i>tert</i>-butyl-2- oxidobenzylideneamino)ethyl]amine}cerium(III)) diethyl ether solvate
• Formula: C58 H80 Ce N4 O3.5
• Calculated formula: C53 H80 Ce N4 O3.5
• SMILES: C1C[N]2=Cc3c(O[Ce]4562[N](CCN1CC[N]4=Cc1c(O6)c(cc(c1)C(C)(C)C)C(C)(C)C)=Cc1c(O5)c(cc(c1)C(C)(C)C)C(C)(C)C)c(cc(c3)C(C)(C)C)C(C)(C)C.O(CC)CC
• Title of publication: Bis({tris[2-(3,5-di-<i>tert</i>-butyl-2-oxidobenzylideneamino)ethyl]amine}cerium(III)) diethyl ether solvate
• Authors of publication: Dröse, Peter; Hrib, Cristian G.; Edelmann, Frank T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: m1386
• a: 27.84 ± 0.006 Å
• b: 16.345 ± 0.003 Å
• c: 24.849 ± 0.005 Å
• α: 90°
• β: 111.39 ± 0.03°
• γ: 90°
• Cell volume: 10529 ± 4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes