Information card for entry 4312670

Structure parameters

• Formula: C30 H39 Cu N3 O2
• Calculated formula: C30 H39 Cu N3 O2
• SMILES: [Cu]12([O]=C(C)O1)N(C=C(C#[N][Cu]13([O]=C(C)O1)[N](=CC(=CN3c1c(cccc1C(C)C)C(C)C)C#N)c1c(cccc1C(C)C)C(C)C)C=[N]2c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• 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: 12.435 ± 0.002 Å
• b: 21.398 ± 0.004 Å
• c: 10.729 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2854.8 ± 0.9 ų
• Cell temperature: 158.1 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for all reflections included in the refinement: 0.036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No