Information card for entry 4336881

Structure parameters

• Formula: C38 H42 Cu N4
• Calculated formula: C38 H42 Cu N4
• SMILES: [Cu]12([N](Cc3ccccc3)=C(C=C(N1Cc1ccccc1)C)C)[N](Cc1ccccc1)=C(C=C(N2Cc1ccccc1)C)C
• 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: 9.5454 ± 0.0006 Å
• b: 11.3169 ± 0.0007 Å
• c: 15.0776 ± 0.001 Å
• α: 93.248 ± 0.003°
• β: 103.821 ± 0.003°
• γ: 92.335 ± 0.003°
• Cell volume: 1576.57 ± 0.18 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No