Information card for entry 7015455

Structure parameters

• Formula: C31 H31 Cl2 Cu N5 O10
• Calculated formula: C31 H31 Cl2 Cu N5 O8
• SMILES: [Cu]123([n]4c(cccc4)C[N]3(Cc3ccccc3)Cc3[n]1cccc3)[n]1c(c3[n]2ccc(c3)C)cc(cc1)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Interaction with DNA and different effect on the nucleus of cancer cells for copper(II) complexes of N-benzyl di(pyridylmethyl)amine.
• Authors of publication: Chen, Qiu-Yun; Fu, Hai-Jian; Zhu, Wei-Hua; Qi, Yan; Ma, Zheng-Ping; Zhao, Kai-Di; Gao, Jing
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 17
• Pages of publication: 4414 - 4420
• a: 8.2186 ± 0.0016 Å
• b: 18.37 ± 0.004 Å
• c: 21.523 ± 0.004 Å
• α: 90°
• β: 94.39 ± 0.03°
• γ: 90°
• Cell volume: 3239.9 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1055
• Residual factor for significantly intense reflections: 0.0876
• Weighted residual factors for significantly intense reflections: 0.2406
• Weighted residual factors for all reflections included in the refinement: 0.2572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No