Information card for entry 4069501

Structure parameters

• Formula: C34 H37 Cu N4 O2
• Calculated formula: C34 H37 Cu N4 O2
• SMILES: [Cu]1(N(C(=C(N2C(=O)CCC2=O)C(=[N]1[C@H](c1ccccc1)C)C)C)[C@H](c1ccccc1)C)C#[N]c1c(cccc1C)C
• Title of publication: Bis(2-phenylethyl)-nacnac: A Chiral Diketiminate Ligand and Its Copper Complexes
• Authors of publication: Oguadinma, Paul O.; Schaper, Frank
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 14
• Pages of publication: 4089
• a: 10.0461 ± 0.0009 Å
• b: 13.1703 ± 0.0011 Å
• c: 22.9287 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3033.7 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• 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: 0.0575
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No