Information card for entry 4312667

Structure parameters

• Formula: C62 H88 Cu N6 O4
• Calculated formula: C62 H88 Cu N6 O4
• SMILES: [Cu]12([N](=CC(=CN1c1cc(cc(c1)C(C)(C)C)C(C)(C)C)N(=O)=O)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)[N](=CC(=CN2c1cc(cc(c1)C(C)(C)C)C(C)(C)C)N(=O)=O)c1cc(cc(c1)C(C)(C)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: 15.8197 ± 0.0005 Å
• b: 19.2852 ± 0.0006 Å
• c: 20.0849 ± 0.0005 Å
• α: 90°
• β: 98.766 ± 0.002°
• γ: 90°
• Cell volume: 6056 ± 0.3 ų
• Cell temperature: 158.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No