Information card for entry 7053890

Structure parameters

• Formula: C25 H22 Cl Cu N5 O6
• Calculated formula: C25 H22 Cl Cu N5 O6
• SMILES: [Cu]12([n]3c4c5c(ccc[n]15)c1[nH]c(nc1c4ccc3)c1ccc(Cl)cc1)(OC(=CC(C)=[O]2)C)[OH]C.N(=O)(=O)[O-]
• Title of publication: Two polypyridyl copper(ii) complexes: synthesis, crystal structure and interaction with DNA and serum protein in vitro
• Authors of publication: Zhao, Xiao-Fei; Ouyang, Yan; Liu, Yan-Zhao; Su, Qiao-Juan; Tian, He; Xie, Cheng-Zhi; Xu, Jing-Yuan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 3
• Pages of publication: 955
• a: 8.586 ± 0.0017 Å
• b: 11.18 ± 0.002 Å
• c: 13.844 ± 0.003 Å
• α: 97.13 ± 0.03°
• β: 104.4 ± 0.03°
• γ: 94.66 ± 0.03°
• Cell volume: 1268.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1818
• Residual factor for significantly intense reflections: 0.095
• Weighted residual factors for significantly intense reflections: 0.2131
• Weighted residual factors for all reflections included in the refinement: 0.2538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No