Information card for entry 7037342

Structure parameters

• Common name: [Me2Al{(4-Me-NCOC6H3)2CH}]
• Chemical name: Dimethyl aluminium bis-(4-methylbenzoxazol-2-yl)-methanide
• Formula: C19 H19 Al N2 O2
• Calculated formula: C19 H19 Al N2 O2
• SMILES: [Al]1([N]2=C(C=C3Oc4cccc(c4N13)C)Oc1cccc(c21)C)(C)C
• Title of publication: Group 13 metal complexes containing the bis-(4-methylbenzoxazol-2-yl)-methanide ligand.
• Authors of publication: Dauer, David-R; Flügge, Melchior; Herbst-Irmer, Regine; Stalke, Dietmar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 6149 - 6158
• a: 8.029 ± 0.002 Å
• b: 14.773 ± 0.003 Å
• c: 14.072 ± 0.003 Å
• α: 90°
• β: 90.03 ± 0.02°
• γ: 90°
• Cell volume: 1669.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No