Information card for entry 4066277

Structure parameters

• Formula: C22 H57 Li4 N9
• Calculated formula: C22 H57 Li4 N9
• SMILES: [Li]12([N]3(CN(CN(C)C3)C)C)[CH3]3[Li]4([N]5(CN(CN(C)C5)C)C)[CH3]5[Li]([N]6(CN(CN(C)C6)C)C)([CH3]14)[CH3]2[Li]35
• 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: 21.3969 ± 0.0004 Å
• b: 21.3969 ± 0.0004 Å
• c: 12.3807 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4908.8 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No