Information card for entry 4312669

Structure parameters

• Formula: C48 H58 Cu2 N6 O2
• Calculated formula: C48 H58 Cu2 N6 O2
• SMILES: [Cu]12(N(C=C(C=[N]2c2c(cccc2CC)CC)C#N)c2c(cccc2CC)CC)[OH][Cu]2(N(C=C(C=[N]2c2c(cccc2CC)CC)C#N)c2c(cccc2CC)CC)[OH]1
• Title of publication: Substituent Effects of β-Diketiminate Ligands on the Structure and Physicochemical Properties of Copper(II) Complexes
• Authors of publication: Chizu Shimokawa; Seiji Yokota; Yoshimitsu Tachi; Nagatoshi Nishiwaki; Masahiro Ariga; Shinobu Itoh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 8395 - 8405
• a: 9.465 ± 0.001 Å
• b: 11.151 ± 0.002 Å
• c: 11.601 ± 0.001 Å
• α: 67.824 ± 0.004°
• β: 83.156 ± 0.003°
• γ: 74.441 ± 0.007°
• Cell volume: 1092.1 ± 0.3 ų
• Cell temperature: 158.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for all reflections included in the refinement: 0.034
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No