Information card for entry 7006989

Structure parameters

• Formula: C72 H128 Br Cl5 Cu N8 O20
• Calculated formula: C72 H128 Br Cl5 Cu N8 O20
• SMILES: [Cu]12(Br)([n]3cc(ccc3c3[n]1cc(cc3)C[N+](CCCC)(CCCC)CCCC)C[N+](CCCC)(CCCC)CCCC)[n]1cc(ccc1c1[n]2cc(cc1)C[N+](CCCC)(CCCC)CCCC)C[N+](CCCC)(CCCC)CCCC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Double-strand DNA cleavage by copper complexes of 2,2'-dipyridyl with electropositive pendants.
• Authors of publication: An, Yan; Tong, Ming-Liang; Ji, Liang-Nian; Mao, Zong-Wan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 17
• Pages of publication: 2066 - 2071
• a: 17.405 ± 0.004 Å
• b: 36.5 ± 0.009 Å
• c: 14.163 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8998 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1462
• Residual factor for significantly intense reflections: 0.0915
• Weighted residual factors for significantly intense reflections: 0.2448
• Weighted residual factors for all reflections included in the refinement: 0.3021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No