Information card for entry 7009621

Structure parameters

• Common name: [Li(thf)2(Me3SiNCPhCHPhNSiMe3)]
• Formula: C29 H45 Li N2 O2 Si2
• Calculated formula: C29 H45 Li N2 O2 Si2
• SMILES: [Li]1([O]2CCCC2)([O]2CCCC2)[N](=C(C=C(N1[Si](C)(C)C)c1ccccc1)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: 10.189 ± 0.005 Å
• b: 21.686 ± 0.005 Å
• c: 22.163 ± 0.009 Å
• α: 86.25 ± 0.03°
• β: 80.98 ± 0.04°
• γ: 76.52 ± 0.03°
• Cell volume: 4701 ± 3 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: 0.1398
• Residual factor for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections: 0.2984
• Weighted residual factors for significantly intense reflections: 0.2754
• Goodness-of-fit parameter for all reflections: 1.121
• Goodness-of-fit parameter for significantly intense reflections: 1.267
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No