Information card for entry 4312668

Structure parameters

• Formula: C44 H50 Cu2 N6 O2
• Calculated formula: C44 H50 Cu2 N6 O2
• SMILES: [Cu]12(N(C=C(C=[N]1c1c(cc(cc1C)C)C)C#N)c1c(cc(cc1C)C)C)[OH][Cu]1(N(C=C(C=[N]1c1c(cc(cc1C)C)C)C#N)c1c(cc(cc1C)C)C)[OH]2
• 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: 15.564 ± 0.002 Å
• b: 14.764 ± 0.002 Å
• c: 17.723 ± 0.003 Å
• α: 90°
• β: 94.324 ± 0.006°
• γ: 90°
• Cell volume: 4060.9 ± 1 ų
• Cell temperature: 158.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.039
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No