Information card for entry 1569473

Structure parameters

• Formula: C16 H10 Cl2 Cu N2 O
• Calculated formula: C16 H10 Cl2 Cu N2 O
• SMILES: [Cu]12(Cl)Oc3cc(Cl)ccc3[N]1=Cc1[n]2c2c(cc1)cccc2
• Title of publication: Anticancer Activity and Mode of Action of Cu(II), Zn(II), and Mn(II) Complexes with 5-Chloro-2-<i>N</i>-(2-quinolylmethylene)aminophenol.
• Authors of publication: Gai, Shuangshuang; He, Liqin; He, Mingxian; Zhong, Xuwei; Jiang, Caiyun; Qin, Yiming; Jiang, Ming
• Journal of publication: Molecules (Basel, Switzerland)
• Year of publication: 2023
• Journal volume: 28
• Journal issue: 12
• Pages of publication: 4876
• a: 14.3656 ± 0.001 Å
• b: 14.9057 ± 0.0008 Å
• c: 6.8654 ± 0.0004 Å
• α: 90°
• β: 90.238 ± 0.006°
• γ: 90°
• Cell volume: 1470.07 ± 0.16 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• 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: 0.0715
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No