Information card for entry 7046293

Structure parameters

• Chemical name: compound_9
• Formula: C8 H13 Cu0.5 N4 O7 S
• Calculated formula: C8 H13 Cu0.5 N4 O7 S
• Title of publication: DNA interactions of non-chelating tinidazole-based coordination compounds and their structural, redox and cytotoxic properties.
• Authors of publication: Castro-Ramírez, Rodrigo; Ortiz-Pastrana, Naytzé; Caballero, Ana B.; Zimmerman, Matthew T.; Stadelman, Bradley S.; Gaertner, Andrea A. E.; Brumaghim, Julia L.; Korrodi-Gregório, Luís; Pérez-Tomás, Ricardo; Gamez, Patrick; Barba-Behrens, Norah
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 22
• Pages of publication: 7551 - 7560
• a: 7.2258 ± 0.0005 Å
• b: 10.8229 ± 0.0008 Å
• c: 16.4296 ± 0.0012 Å
• α: 90°
• β: 90.376 ± 0.005°
• γ: 90°
• Cell volume: 1284.83 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0718
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No