Information card for entry 7034080

Structure parameters

• Formula: C23 H50 Al Li N2 O
• Calculated formula: C23 H50 Al Li N2 O
• SMILES: [Al]1([N](C)(C)[Li]([N]12C(CCCC2(C)C)(C)C)[O]1CCCC1)(CC(C)C)CC(C)C
• Title of publication: Heterobimetallic metallation studies of N,N-dimethylphenylethylamine (DMPEA): benzylic C-H bond cleavage/dimethylamino capture or intact DMPEA complex.
• Authors of publication: Kennedy, Alan R.; Mulvey, Robert E.; Ramsay, Donna L.; Robertson, Stuart D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 12
• Pages of publication: 5875 - 5887
• a: 13.5126 ± 0.0009 Å
• b: 12.4361 ± 0.0008 Å
• c: 15.2536 ± 0.001 Å
• α: 90°
• β: 91.834 ± 0.006°
• γ: 90°
• Cell volume: 2562 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• 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: 0.0569
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No