Information card for entry 7006988

Structure parameters

• Formula: C48 H98 Br Cl5 Cu N8 O29
• Calculated formula: C48 H98 Br Cl5 Cu N8 O29
• SMILES: [Cu]12(Br)([n]3c(c4[n]1cc(cc4)C[N+](CC)(CC)CC)ccc(c3)C[N+](CC)(CC)CC)[n]1cc(ccc1c1[n]2cc(cc1)C[N+](CC)(CC)CC)C[N+](CC)(CC)CC.O.O.O.O.O.O.O.O.O.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: 14.2945 ± 0.0011 Å
• b: 14.4469 ± 0.0011 Å
• c: 34.637 ± 0.003 Å
• α: 90°
• β: 101.088 ± 0.002°
• γ: 90°
• Cell volume: 7019.4 ± 1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• 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: 0.1078
• Residual factor for significantly intense reflections: 0.0747
• Weighted residual factors for significantly intense reflections: 0.1851
• Weighted residual factors for all reflections included in the refinement: 0.2074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No