Information card for entry 7009391

Structure parameters

• Formula: C44.5 H44 Li2 N6
• Calculated formula: C36 H40 Li2 N6
• SMILES: [Li]1([n]2ccc(cc2)C)([n]2ccc(cc2)C)[NH]([Li]([n]2ccc(cc2)C)([n]2ccc(cc2)C)[NH]1c1ccccc1)c1ccccc1
• 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: 42.3971 ± 0.0006 Å
• b: 9.614 ± 0.002 Å
• c: 18.024 ± 0.004 Å
• α: 90°
• β: 98.287 ± 0.006°
• γ: 90°
• Cell volume: 7270 ± 2 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1291
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.2038
• Weighted residual factors for all reflections included in the refinement: 0.2258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No