Information card for entry 1516031

Structure parameters

• Formula: C40 H31 Br3 Cu N3 O P
• Calculated formula: C40 H31 Br3 Cu N3 O P
• SMILES: [Cu]12(Br)(Br)[n]3c(c4cccc[n]24)cc(c2ccc(cc2)C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc3c2[n]1cccc2.[Br-].O
• Title of publication: A mitochondrion-targeting copper complex exhibits potent cytotoxicity against cisplatin-resistant tumor cells through multiple mechanisms of action
• Authors of publication: Zhou, Wen; Wang, Xiaoyong; Hu, Ming; Zhu, Chengcheng; Guo, Zijian
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 7
• Pages of publication: 2761
• a: 18.61 ± 0.005 Å
• b: 17.503 ± 0.005 Å
• c: 46.898 ± 0.005 Å
• α: 90 ± 0.005°
• β: 98.136 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 15122 ± 6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1592
• Residual factor for significantly intense reflections: 0.0849
• Weighted residual factors for significantly intense reflections: 0.2343
• Weighted residual factors for all reflections included in the refinement: 0.2537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No