Information card for entry 1552445

Structure parameters

• Formula: C17 H15 Cl Cu N2 O3
• Calculated formula: C17 H15 Cl Cu N2 O3
• SMILES: [Cu]12(Cl)([O]=C3C=CC=CC=C3O1)[n]1ccccc1c1[n]2cccc1.O
• Title of publication: Structure and Anticancer Activities of Four Cu(II) Complexes Bearing Tropolone
• Authors of publication: Mo, Xiyu; Chen, Zilu; Chu, Bo; Liu, Dongcheng; Liang, Yuning; Liang, Fupei
• Journal of publication: Metallomics
• Year of publication: 2019
• a: 9.547 ± 0.003 Å
• b: 12.575 ± 0.004 Å
• c: 14.02 ± 0.004 Å
• α: 90°
• β: 94.564 ± 0.004°
• γ: 90°
• Cell volume: 1677.8 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0284
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No