Information card for entry 4089243

Structure parameters

• Formula: C38 H48 N4 Na2
• Calculated formula: C38 H48 N4 Na2
• SMILES: C[C@@H]([N-]C(=C)c1ccccc1)c1ccccc1.c1cc([C@H]([N-]C(=C)c2ccccc2)C)ccc1.[N]1(C)(C)CC[N](C)(C)[Na]1.[Na+]
• 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: 8.2933 ± 0.0017 Å
• b: 21.208 ± 0.004 Å
• c: 10.115 ± 0.002 Å
• α: 90°
• β: 90.36 ± 0.03°
• γ: 90°
• Cell volume: 1779 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1046
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No