Information card for entry 4066278

Structure parameters

• Formula: C16 H42 Al Li N6
• Calculated formula: C16 H42 Al Li N6
• SMILES: [N]12([Li]345([N](C1)(C[N]3(C2)C)C)[N]1(C[N]4(C[N]5(C1)C)C)C)C.[Al](C)(C)(C)C
• Title of publication: A Chain Aggregate of Methyllithium Tetramers†
• Authors of publication: Kamps, Ina; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 4746
• a: 8.3824 ± 0.0002 Å
• b: 15.4957 ± 0.0004 Å
• c: 18.4008 ± 0.0005 Å
• α: 90°
• β: 99.7841 ± 0.0014°
• γ: 90°
• Cell volume: 2355.34 ± 0.11 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: 0.0487
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No