Information card for entry 4349370

Structure parameters

• Common name: CuL3(CNAr)
• Formula: C29 H33 Cu N4
• Calculated formula: C29 H33 Cu N4
• SMILES: c1(c(C)cc(C)cc1C)[N]1=C(C)C=C(C)N([Cu]1C#[N]c1c(C)cccc1C)Cc1ccccn1
• Title of publication: Reactivity Study of Unsymmetrical β-Diketiminato Copper(I) Complexes: Effect of the Chelating Ring.
• Authors of publication: Chuang, Wan-Jung; Hsu, Sung-Po; Chand, Kuldeep; Yu, Fu-Lun; Tsai, Cheng-Long; Tseng, Yu-Hsuan; Lu, Yuh-Hsiu; Kuo, Jen-Yu; Carey, James R.; Chen, Hsuan-Ying; Chen, Hsing-Yin; Chiang, Michael Y.; Hsu, Sodio C. N.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 5
• Pages of publication: 2722 - 2735
• a: 11.2307 ± 0.0007 Å
• b: 29.702 ± 0.002 Å
• c: 7.86 ± 0.0005 Å
• α: 90°
• β: 93.867 ± 0.001°
• γ: 90°
• Cell volume: 2615.9 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No