Information card for entry 4135227

Structure parameters

• Formula: C22 H44 Li2 N2
• Calculated formula: C22 H44 Li2 N2
• Title of publication: Insight into the Bonding and Aggregation of Alkyllithiums by Experimental Charge Density Studies and Energy Decomposition Analyses.
• Authors of publication: Münch, Annika; Knauer, Lena; Ott, Holger; Sindlinger, Christian; Herbst-Irmer, Regine; Strohmann, Carsten; Stalke, Dietmar
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 8.389 ± 0.002 Å
• b: 11.624 ± 0.002 Å
• c: 13.213 ± 0.003 Å
• α: 114.52 ± 0.03°
• β: 95.98 ± 0.02°
• γ: 91.19 ± 0.02°
• Cell volume: 1163 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.022
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for all reflections included in the refinement: 0.017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.817
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No