Information card for entry 7009622

Structure parameters

• Formula: C36 H64 Li2 N2 O2 Si4
• Calculated formula: C36 H64 Li2 N2 O2 Si4
• SMILES: [Li]1([O]2CCCC2)[N](/C(=C/[Si](C)(C)C)c2ccccc2)([Si](C)(C)C)[Li]([O]2CCCC2)[N]1(/C(=C/[Si](C)(C)C)c1ccccc1)[Si](C)(C)C
• Title of publication: Reactions of LiCHR2 and related lithium alkyls with α-H free nitriles and the crystal structures of eleven representative lithium 1,3-diazaallyls, 1-azaallyls and β-diketiminates
• Authors of publication: Hitchcock, Peter B.; Lappert, Michael F.; Layh, Marcus; Liu, Dian-Sheng; Sablong, Rafael; Shun, Tian
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 14
• Pages of publication: 2301
• a: 9.781 ± 0.001 Å
• b: 10.239 ± 0.003 Å
• c: 10.416 ± 0.002 Å
• α: 92.49 ± 0.02°
• β: 96.37 ± 0.01°
• γ: 97.52 ± 0.02°
• Cell volume: 1026 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for all reflections: 0.1144
• Weighted residual factors for significantly intense reflections: 0.1029
• Goodness-of-fit parameter for all reflections: 1.02
• Goodness-of-fit parameter for significantly intense reflections: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No