Information card for entry 4069502

Structure parameters

• Formula: C52 H72 Cu4 N4 O4
• Calculated formula: C52 H72 Cu4 N4 O4
• SMILES: [O]12(C(C)(C)C)[Cu]3([O]4(C(C)(C)C)[Cu]5(C#[N]c6c(cccc6C)C)[O]6(C(C)(C)C)[Cu]1([O]35C(C)(C)C)(C#[N]c1c(cccc1C)C)[Cu]246C#[N]c1c(cccc1C)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: 24.418 ± 0.0008 Å
• b: 23.1746 ± 0.0009 Å
• c: 9.4477 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5346.2 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 41
• Hermann-Mauguin space group symbol: A b a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No