Information card for entry 7020904

Structure parameters

• Formula: C31 H42 Cu N3 O4
• Calculated formula: C31 H42 Cu N3 O4
• SMILES: [Cu]123N(C=C(N(=O)=O)C=[N]3c3cc(cc(c3O1)C(C)(C)C)C(C)(C)C)c1cc(cc(c1O2)C(C)(C)C)C(C)(C)C
• Title of publication: Copper complexes of the non-innocent β-diketiminate ligand containing phenol groups.
• Authors of publication: Takaichi, June; Ohkubo, Kei; Sugimoto, Hideki; Nakano, Motohiro; Usa, Daisuke; Maekawa, Hiroaki; Fujieda, Nobutaka; Nishiwaki, Nagatoshi; Seki, Shu; Fukuzumi, Shunichi; Itoh, Shinobu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 7
• Pages of publication: 2438 - 2444
• a: 13.6036 ± 0.0004 Å
• b: 11.523 ± 0.0004 Å
• c: 19.6796 ± 0.0006 Å
• α: 90°
• β: 106.893 ± 0.0008°
• γ: 90°
• Cell volume: 2951.75 ± 0.16 ų
• Cell temperature: 103 K
• Ambient diffraction temperature: 103 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: 0.0489
• Weighted residual factors for all reflections included in the refinement: 0.1488
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No