Information card for entry 7712041

Structure parameters

• Formula: C16 H26 Br Cu N6 O8 S2
• Calculated formula: C16 H26 Br Cu N6 O8 S2
• Title of publication: DNA recognition site of anticancer tinidazole copper(II) complexes.
• Authors of publication: Ramírez-Palma, Lillian G; Castro-Ramírez, Rodrigo; Lozano-Ramos, León; Galindo-Murillo, Rodrigo; Barba-Behrens, Norah; Cortés-Guzmán, Fernando
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 7
• Pages of publication: 2087 - 2097
• a: 14.7154 ± 0.0018 Å
• b: 12.7433 ± 0.0012 Å
• c: 12.6692 ± 0.0015 Å
• α: 90°
• β: 99.767 ± 0.011°
• γ: 90°
• Cell volume: 2341.3 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No