Information card for entry 4303488

Structure parameters

• Formula: C10 H15 Cl Cu N5 S2
• Calculated formula: C10 H15 Cl Cu N5 S2
• Title of publication: Probing Metal-Ion Purine Interactions at DNA Minor-Groove Sites
• Authors of publication: Miguel A. Galindo; David Amantia; Alberto Martinez Martinez; William Clegg; Ross W. Harrington; Virtudes Moreno Martinez; Andrew Houlton
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 10295 - 10303
• a: 10.151 ± 0.005 Å
• b: 10.516 ± 0.005 Å
• c: 13.435 ± 0.006 Å
• α: 90°
• β: 103.031 ± 0.006°
• γ: 90°
• Cell volume: 1397.2 ± 1.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1089
• Residual factor for significantly intense reflections: 0.0919
• Weighted residual factors for significantly intense reflections: 0.2478
• Weighted residual factors for all reflections included in the refinement: 0.2809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.6895 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No