Information card for entry 4070467

Structure parameters

• Formula: C22 H24 Cu N3
• Calculated formula: C22 H24 Cu N3
• SMILES: [Cu]12(N(C(=CC(=[N]1Cc1ccccc1)C)C)Cc1ccccc1)[CH2]=[CH]2C#N
• Title of publication: π Back-Bonding in Dibenzyl-β-diketiminato Copper Olefin Complexes
• Authors of publication: Oguadinma, Paul O.; Schaper, Frank
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 23
• Pages of publication: 6721
• a: 14.3009 ± 0.0007 Å
• b: 6.0688 ± 0.0003 Å
• c: 22.7308 ± 0.0011 Å
• α: 90°
• β: 102.916 ± 0.002°
• γ: 90°
• Cell volume: 1922.88 ± 0.16 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No