Information card for entry 7042281

Structure parameters

• Formula: C12 H19 Cu N3 O6 S4
• Calculated formula: C12 H19 Cu N3 O6 S4
• Title of publication: Copper(ii) thiosemicarbazone complexes induce marked ROS accumulation and promote nrf2-mediated antioxidant response in highly resistant breast cancer cells.
• Authors of publication: Sîrbu, Angela; Palamarciuc, Oleg; Babak, Maria V.; Lim, Jia Min; Ohui, Kateryna; Enyedy, Eva A.; Shova, Sergiu; Darvasiová, Denisa; Rapta, Peter; Ang, Wee Han; Arion, Vladimir B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 12
• Pages of publication: 3833 - 3847
• a: 6.375 ± 0.0003 Å
• b: 12.3166 ± 0.0009 Å
• c: 13.7976 ± 0.0012 Å
• α: 75.444 ± 0.007°
• β: 77.55 ± 0.006°
• γ: 76.945 ± 0.005°
• Cell volume: 1006.89 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No