Information card for entry 7009390

Structure parameters

• Formula: C32 H32 Li2 N6
• Calculated formula: C32 H32 Li2 N6
• SMILES: [Li]1([NH]([Li]([NH]1c1ccccc1)([n]1ccccc1)[n]1ccccc1)c1ccccc1)([n]1ccccc1)[n]1ccccc1
• Title of publication: The changing structural chemistry of lithium anilide on solvation by pyridine, 4-methylpyridine or 4-tert-butylpyridine
• Authors of publication: Clegg, William; Horsburgh, Lynne; Liddle, Stephen T.; Mackenzie, Fiona M.; Mulvey, Robert E.; Robertson, Alan
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 7
• Pages of publication: 1225
• a: 18.104 ± 0.003 Å
• b: 11.5602 ± 0.0016 Å
• c: 14.2505 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2982.4 ± 0.8 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1514
• Weighted residual factors for all reflections included in the refinement: 0.1594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No