Information card for entry 2227035

Structure parameters

• Chemical name: Bis{μ-4,4',6,6'-tetra-<i>tert</i>-butyl-2,2'-[<i>N</i>-(2- oxidoethyl)iminodimethylene]diphenolato}dialuminium(III)
• Formula: C64 H96 Al2 N2 O6
• Calculated formula: C64 H96 Al2 N2 O6
• SMILES: [N]123[Al]4([O](CC1)[Al]156[N](CC[O]41)(Cc1c(c(cc(c1)C(C)(C)C)C(C)(C)C)O6)Cc1c(O5)c(cc(c1)C(C)(C)C)C(C)(C)C)(Oc1c(C2)cc(cc1C(C)(C)C)C(C)(C)C)Oc1c(C3)cc(C(C)(C)C)cc1C(C)(C)C
• Title of publication: Bis{μ-4,4',6,6'-tetra-<i>tert</i>-butyl-2,2'-[<i>N</i>-(2-oxidoethyl)iminodimethylene]diphenolato}dialuminium(III)
• Authors of publication: Hemmingson, Stephanie L.; Stevens, Alice J.; Tanski, Joseph M.; Getzler, Yutan D. Y. L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: m937
• a: 13.385 ± 0.002 Å
• b: 16.352 ± 0.003 Å
• c: 14.141 ± 0.002 Å
• α: 90°
• β: 90.063 ± 0.002°
• γ: 90°
• Cell volume: 3095.1 ± 0.9 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0956
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes