Information card for entry 4312665

Structure parameters

• Formula: C32 H24 Cu N6
• Calculated formula: C32 H24 Cu N6
• SMILES: [Cu]12([N](=CC(=CN2c2ccccc2)C#N)c2ccccc2)N(C=C(C=[N]1c1ccccc1)C#N)c1ccccc1
• 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: 7.2391 ± 0.0003 Å
• b: 23.026 ± 0.0009 Å
• c: 15.5591 ± 0.0008 Å
• α: 90°
• β: 97.72 ± 0.004°
• γ: 90°
• Cell volume: 2570 ± 0.2 ų
• Cell temperature: 158.1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for all reflections included in the refinement: 0.06
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No