Information card for entry 7003978

Structure parameters

• Formula: C54 H42 Li2 N2
• Calculated formula: C54 H42 Li2 N2
• SMILES: [Li]1[N](c2c(cccc2)c2ccccc2)(c2c(cccc2)c2ccccc2)[Li][N]1(c1c(cccc1)c1ccccc1)(c1c(cccc1)c1ccccc1).c1ccccc1
• Title of publication: Biphenylamide ligand complexes of Li and Al: hemilabile arene donors?
• Authors of publication: Dureen, Meghan A.; Stephan, Douglas W.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 35
• Pages of publication: 4723 - 4731
• a: 13.96 ± 0.003 Å
• b: 22.82 ± 0.005 Å
• c: 24.218 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7715 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No