Information card for entry 7011744

Structure parameters

• Common name: lithio, sodio- (S)-N-(alpha-benzylmethyl)allylamide.thf
• Formula: C60 H84 Li4 N4 Na4 O4
• Calculated formula: C60 H84 Li4 N4 Na4 O4
• SMILES: [Na]1([O]2CCCC2)[N]2([C@@H](C)c3ccccc3)([Li]34[CH]56=CC2)[Na]([O]2CCCC2)[N]2([Li]78[CH]39=CC2)([Na]([O]3CCCC3)[N]3([Li]52[CH]47=CC3)([Na]([O]3CCCC3)[N]31([Li]69[CH]82=CC3)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1
• Title of publication: Solid state structures of homo- and hetero-bimetallic alkali metal complexes containing the dianion of (S)-N-(??-methylbenzyl)allylamine
• Authors of publication: Andrews, Philip C.; Calleja, Simone M.; Maguire, Melissa
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 18
• Pages of publication: 3640
• a: 12.814 ± 0.003 Å
• b: 18.98 ± 0.004 Å
• c: 25.24 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6139 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1784
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.1682
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No