Information card for entry 7104727

Structure parameters

• Formula: C31 H67 Li3 N8
• Calculated formula: C26 H55 Li3 N8
• SMILES: [Li]123[N]4([CH]25[N]2(CCC4)C)[Li]25[C](C)(C)(C)[Li]2([N]4([CH]12N(CCC4)C[N]12CN(CCC1)C)C)[N]1(C[N]3(C2)CCC1)C
• Title of publication: Two diamino-substituted lithiocarbanions in one molecule.
• Authors of publication: Kamps, Ina; Mix, Andreas; Berger, Raphael J F; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 37
• Pages of publication: 5558 - 5560
• a: 14.1087 ± 0.0002 Å
• b: 16.8082 ± 0.0002 Å
• c: 16.9787 ± 0.0002 Å
• α: 90°
• β: 107.49 ± 0.0009°
• γ: 90°
• Cell volume: 3840.21 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0587
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1347
• Weighted residual factors for all reflections included in the refinement: 0.1426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No