Information card for entry 4089242

Structure parameters

• Formula: C40 H52 Li0.76 N2 Na1.24 O2
• Calculated formula: C40 H52 Li0.76 N2 Na1.24 O2
• SMILES: C1[O](CCC1)[Li]1[N]([C@@H](c2ccccc2)C)([C@@H](c2ccccc2)C)[Na]([O]2CCCC2)[N]1([C@@H](c1ccccc1)C)[C@@H](c1ccccc1)C
• Title of publication: Metal-Induced C‒N Bond Cleavage in the Decomposition of Alkali (R,R)-Bis(α-methylbenzyl)amide Complexes
• Authors of publication: Border, Emily C.; Maguire, Melissa; MacLellan, Jonathan G.; Andrews, Philip C.
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 8
• Pages of publication: 1496
• a: 9.7405 ± 0.0019 Å
• b: 13.242 ± 0.003 Å
• c: 28.184 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3635.3 ± 1.3 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: 0.1344
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.1662
• Weighted residual factors for all reflections included in the refinement: 0.1953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No