Information card for entry 7034741

Structure parameters

• Formula: C48 H46 Cl2 Cu2 F12 N6 O0 P2
• Calculated formula: C48 H46 Cl2 Cu2 F12 N6 P2
• SMILES: [Cu]123([n]4ccccc4C[N]1(Cc1[n]2cccc1)[C@H](C)c1cccc2ccccc12)[Cl][Cu]12([n]4ccccc4C[N]1([C@H](C)c1cccc4ccccc14)Cc1[n]2cccc1)[Cl]3.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis, characterization, DNA/BSA interactions and anticancer activity of achiral and chiral copper complexes.
• Authors of publication: Zhou, Xue-Quan; Sun, Qian; Jiang, Lin; Li, Si-Tong; Gu, Wen; Tian, Jin-Lei; Liu, Xin; Yan, Shi-Ping
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 20
• Pages of publication: 9516 - 9527
• a: 14.286 ± 0.003 Å
• b: 15.106 ± 0.003 Å
• c: 23.05 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4974.3 ± 1.8 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No