Information card for entry 4089240

Structure parameters

• Formula: C44 H72 Li2 N8 O2 P2
• Calculated formula: C44 H72 Li2 N8 O2 P2
• SMILES: P(=[O][Li]1[N]([C@@H](c2ccccc2)C)([C@@H](c2ccccc2)C)[Li]([O]=P(N(C)C)(N(C)C)N(C)C)[N]1([C@@H](c1ccccc1)C)[C@@H](c1ccccc1)C)(N(C)C)(N(C)C)N(C)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: 16.0729 ± 0.0009 Å
• b: 27.9462 ± 0.0016 Å
• c: 10.8469 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4872.2 ± 0.5 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: 0.0997
• Residual factor for significantly intense reflections: 0.0902
• Weighted residual factors for significantly intense reflections: 0.1952
• Weighted residual factors for all reflections included in the refinement: 0.199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.23
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No