Information card for entry 7714932

Structure parameters

• Formula: C21 H17 Cl Cu N4 O7
• Calculated formula: C21 H17 Cl Cu N4 O7
• SMILES: [Cu]12([O]=C3c4c(O2)cccc4C(=O)C(=C3)C)[n]2ccc(N)cc2c2[n]1ccc(c2)N.Cl(=O)(=O)(=O)[O-]
• Title of publication: Discovery of mitochondrion-targeting copper(II)-plumbagin and -bipyridine complexes as chemodynamic therapy agents with enhanced antitumor activity.
• Authors of publication: Zhang, Hai-Qun; Lu, Xing; Wu, Jiang-Lun; Ou, Mei-Quan; Chen, Nan-Feng; Liang, Hong; Chen, Zhen-Feng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 3244 - 3253
• a: 9.4798 ± 0.0005 Å
• b: 10.4607 ± 0.0008 Å
• c: 12.3592 ± 0.0008 Å
• α: 109.072 ± 0.007°
• β: 110.542 ± 0.006°
• γ: 90.238 ± 0.005°
• Cell volume: 1074.86 ± 0.14 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.1551
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1518
• Weighted residual factors for all reflections included in the refinement: 0.1959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No