Information card for entry 7009392

Structure parameters

• Formula: C78 H102 Li4 N10
• Calculated formula: C78 H102 Li4 N10
• SMILES: [Li]([n]1ccc(cc1)C(C)(C)C)([n]1ccc(cc1)C(C)(C)C)([n]1ccc(cc1)C(C)(C)C)[NH]([Li]1[NH](c2ccccc2)[Li]([NH]([Li]([n]2ccc(cc2)C(C)(C)C)([n]2ccc(cc2)C(C)(C)C)[n]2ccc(cc2)C(C)(C)C)c2ccccc2)[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: 12.0898 ± 0.0018 Å
• b: 12.1766 ± 0.0018 Å
• c: 13.717 ± 0.002 Å
• α: 106.324 ± 0.003°
• β: 101.859 ± 0.003°
• γ: 98.673 ± 0.004°
• Cell volume: 1849.2 ± 0.5 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1137
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1502
• Weighted residual factors for all reflections included in the refinement: 0.1719
• Goodness-of-fit parameter for all reflections included in the refinement: 0.89
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No