Information card for entry 7055954

Structure parameters

• Formula: C18 H16 Cu N4 O5
• Calculated formula: C18 H16 Cu N4 O5
• SMILES: [Cu]12(ON(=O)=O)([O]=C(N[N]1=Cc1c3[n]2cccc3ccc1)c1ccccc1)OC
• Title of publication: Synthesis of two potential anticancer copper(ii) complex drugs: their crystal structure, human serum albumin/DNA binding and anticancer mechanism
• Authors of publication: Hu, Kun; Li, Feiyan; Zhang, Zhong; Liang, Fupei
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 5
• Pages of publication: 2062
• a: 7.854 ± 0.003 Å
• b: 10.712 ± 0.003 Å
• c: 21.44 ± 0.007 Å
• α: 90°
• β: 97.575 ± 0.006°
• γ: 90°
• Cell volume: 1788 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0441
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No