Information card for entry 4067102

Structure parameters

• Formula: C5 H20 Li N5
• Calculated formula: C5 H20 Li N5
• SMILES: [Li]([NH3])([NH3])([NH3])[NH3].[cH-]1cccc1.N
• Title of publication: Unprecedented CpLi Ammoniacates
• Authors of publication: Michel, Reent; Herbst-Irmer, Regine; Stalke, Dietmar
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 23
• Pages of publication: 6169
• a: 24.603 ± 0.004 Å
• b: 6.886 ± 0.002 Å
• c: 12.638 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2141.1 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1976
• Weighted residual factors for all reflections included in the refinement: 0.2015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No