Information card for entry 4336879

Structure parameters

• Formula: C46 H58 Cu N4
• Calculated formula: C46 H58 Cu N4
• SMILES: [Cu]12(N(C(=CC(=[N]1c1c(C(C)C)cccc1)C)C)c1ccccc1C(C)C)N(C(=CC(=[N]2c1c(cccc1)C(C)C)C)C)c1c(C(C)C)cccc1
• Title of publication: Square-Planar Cu(II) Diketiminate Complexes in Lactide Polymerization
• Authors of publication: Todd J. J. Whitehorne; Frank Schaper
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 13612 - 13622
• a: 16.6129 ± 0.0005 Å
• b: 10.4872 ± 0.0003 Å
• c: 23.5375 ± 0.0007 Å
• α: 90°
• β: 97.799 ± 0.002°
• γ: 90°
• Cell volume: 4062.8 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0458
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No