Information card for entry 4320366

Structure parameters

• Formula: C21 H24 Cu N3 O2
• Calculated formula: C21 H24 Cu N3 O2
• SMILES: [Cu]1N(C=C(N(=O)=O)C=[N]1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: A New β-Diketiminate Ligand Carrying a Functional Group on the Carbon Framework. Synthesis and Characterization of a Linear Polymeric Copper(I) Complex
• Authors of publication: Seiji Yokota; Yoshimitsu Tachi; Nagatoshi Nishiwaki; Masahiro Ariga; Shinobu Itoh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 5316 - 5317
• a: 7.2949 ± 0.0002 Å
• b: 15.7167 ± 0.0005 Å
• c: 16.6267 ± 0.0004 Å
• α: 90°
• β: 100.062 ± 0.0007°
• γ: 90°
• Cell volume: 1876.96 ± 0.09 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for all reflections included in the refinement: 0.046
• Goodness-of-fit parameter for all reflections included in the refinement: 0.862
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No