Information card for entry 7119605

Structure parameters

• Formula: C18 H20 Br2 Cl2 Cu N4 O S
• Calculated formula: C18 H6 Br2 Cl2 Cu N4 O S
• Title of publication: A Cu(ii) complex targeting the translocator protein: in vitro and in vivo antitumor potential and mechanistic insights.
• Authors of publication: Montagner, D.; Fresch, B.; Browne, K.; Gandin, V.; Erxleben, A.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 134 - 137
• a: 14.2258 ± 0.0017 Å
• b: 12.7624 ± 0.0018 Å
• c: 13.8668 ± 0.0013 Å
• α: 90°
• β: 117.138 ± 0.014°
• γ: 90°
• Cell volume: 2240.4 ± 0.5 ų
• Cell temperature: 149.9 ± 0.2 K
• Ambient diffraction temperature: 149.9 ± 0.2 K
• Number of distinct elements: 8
• 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: 0.2037
• Residual factor for significantly intense reflections: 0.0863
• Weighted residual factors for significantly intense reflections: 0.1766
• Weighted residual factors for all reflections included in the refinement: 0.2413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No