Information card for entry 7053891

Structure parameters

• Formula: C24 H18 Cu N6 O7
• Calculated formula: C24 H18 Cu N6 O7
• SMILES: [Cu]12(OC(=CC(=[O]1)C)C)(ON(=O)=O)[n]1c3c4[n]2cccc4c2nc([nH]c2c3ccc1)c1c(N(=O)=O)cccc1
• 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: 8.418 ± 0.003 Å
• b: 9.753 ± 0.003 Å
• c: 28.363 ± 0.01 Å
• α: 92.028 ± 0.007°
• β: 90.542 ± 0.006°
• γ: 93.765 ± 0.008°
• Cell volume: 2322 ± 1.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0778
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No