Information card for entry 4318651

Structure parameters

• Formula: C14 H20 Cl4 N10 O3 Zn2
• Calculated formula: C14 H20 Cl4 N10 O3 Zn2
• SMILES: [Zn](Cl)(Cl)([O]=c1[nH]c(N)nc2n(c[n]([Zn](Cl)(Cl)[OH2])c12)CC)[n]1c2c(nc([nH]c2=O)N)n(c1)CC
• Title of publication: Simultaneous N7,O6-Binding of Guanine to Two Zinc Centers and Its Possible Biological Significance
• Authors of publication: Felix Zamora; Michal Sabat
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4976 - 4977
• a: 11.0636 ± 0.0006 Å
• b: 6.6545 ± 0.0004 Å
• c: 15.963 ± 0.0009 Å
• α: 90°
• β: 101.069 ± 0.001°
• γ: 90°
• Cell volume: 1153.38 ± 0.11 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0471
• Weighted residual factors for all reflections included in the refinement: 0.0476
• Goodness-of-fit parameter for all reflections included in the refinement: 0.831
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No