Information card for entry 1549004

Structure parameters

• Formula: C20 H36 Li2 N6
• Calculated formula: C20 H36 Li2 N6
• Title of publication: Benchmarking lithium amide <i>versus</i> amine bonding by charge density and energy decomposition analysis arguments.
• Authors of publication: Engelhardt, Felix; Maaß, Christian; Andrada, Diego M.; Herbst-Irmer, Regine; Stalke, Dietmar
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 12
• Pages of publication: 3111 - 3121
• a: 12.7937 ± 0.0003 Å
• b: 9.7101 ± 0.0003 Å
• c: 18.6728 ± 0.0005 Å
• α: 90°
• β: 94.3121 ± 0.001°
• γ: 90°
• Cell volume: 2313.12 ± 0.11 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for all reflections included in the refinement: 0.026
• RFsqd: 0.022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.577
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No