Information card for entry 1566008

Structure parameters

• Formula: C16 H17 Cl Cu N4 O6
• Calculated formula: C16 H17 Cl Cu N4 O6
• SMILES: [Cu]123(Cl)Oc4ccc(N(=O)=O)cc4C=[N]1OCCO[N]3=Cc1[n]2cccc1.OC
• Title of publication: Studying anion-dependent paradoxically fluorescent Cu(II) complexes bearing a pyridine-decorated tetradentate half-salamo-like ligand
• Authors of publication: Han, Xiu-Juan; Li, Ruo-Yu; Yue, Yong-Ning; Zhang, Yang; Dong, Wen-Kui
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2022
• Journal volume: 529
• Pages of publication: 120634
• a: 8.8691 ± 0.0003 Å
• b: 10.1399 ± 0.0004 Å
• c: 11.7773 ± 0.0004 Å
• α: 77.18 ± 0.002°
• β: 77.012 ± 0.002°
• γ: 66.128 ± 0.002°
• Cell volume: 933.52 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1467
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1841
• Weighted residual factors for all reflections included in the refinement: 0.2302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No