Information card for entry 2205052

Structure parameters

• Chemical name: bis[μ-6,6'-di-tert-butyl-4,4'-dimethyl-2,2- (ethylenedithio)diphenolato]bis[methylaluminium(I)]
• Formula: C50 H70 Al2 O4 S4
• Calculated formula: C50 H70 Al2 O4 S4
• SMILES: [Al]123(Oc4c(cc(cc4C(C)(C)C)C)[S]2CC[S]2[Al]4(Oc5c(cc(cc5C(C)(C)C)C)[S]4CC[S]3c3c(O1)c(cc(c3)C)C(C)(C)C)(Oc1c2cc(cc1C(C)(C)C)C)C)C
• Title of publication: A dimeric alkyl complex supported by an <i>O,S,S,O</i>-tetradentate diphenolate ligand
• Authors of publication: Ma, Haiyan; Melillo, Gianluca; Oliva, Leone; Spaniol, Thomas P.; Okuda, Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: m221 - m222
• a: 10.7048 ± 0.0017 Å
• b: 16.38 ± 0.003 Å
• c: 28.722 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5036.2 ± 1.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes