Information card for entry 1552444

Structure parameters

• Formula: C19 H14 Cl Cu N2 O2.5
• Calculated formula: C19 H14 Cl Cu N2 O2.5
• SMILES: [Cu]12(Cl)([O]=C3C=CC=CC=C3O1)[n]1cccc3ccc4ccc[n]2c4c13.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: 9.1448 ± 0.0004 Å
• b: 13.4418 ± 0.0007 Å
• c: 14.6873 ± 0.0007 Å
• α: 110.896 ± 0.005°
• β: 92.6 ± 0.004°
• γ: 99.526 ± 0.004°
• Cell volume: 1652.69 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0652
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No