Information card for entry 7005101

Structure parameters

• Formula: C72 H128 Cl8 N12 O36 Zn
• Calculated formula: C72 H128 Cl8 N12 O36 Zn
• SMILES: [Zn]123([n]4cc(ccc4c4[n]1cc(cc4)C[N+](CC)(CC)CC)C[N+](CC)(CC)CC)([n]1cc(ccc1c1[n]2cc(cc1)C[N+](CC)(CC)CC)C[N+](CC)(CC)CC)[n]1cc(ccc1c1[n]3cc(cc1)C[N+](CC)(CC)CC)C[N+](CC)(CC)CC.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-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O.O.O
• Title of publication: Cleavage of double-strand DNA by zinc complexes of dicationic 2,2'-dipyridyl derivatives.
• Authors of publication: An, Yan; Lin, Yan-Yong; Wang, Hui; Sun, Hong-Zhe; Tong, Ming-Liang; Ji, Liang-Nian; Mao, Zong-Wan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 12
• Pages of publication: 1250 - 1254
• a: 18.7486 ± 0.0007 Å
• b: 52.014 ± 0.002 Å
• c: 13.1492 ± 0.0005 Å
• α: 90°
• β: 131.918 ± 0.003°
• γ: 90°
• Cell volume: 9541.6 ± 0.8 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0833
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.2039
• Weighted residual factors for all reflections included in the refinement: 0.2149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No