Information card for entry 1515892

Structure parameters

• Formula: C33 H52 Cl2 Cu2 N6 O5
• Calculated formula: C33 H52 Cl2 Cu2 N6 O5
• SMILES: [Cu]123([O](c4c(cccc4)C=[N]3NC(=[O]2)N(CCCC)CCCC)[Cu]23(Cl)[O]1c1c(cccc1)C=[N]2NC(=[O]3)N(CCCC)CCCC)Cl.OC
• Title of publication: Cytotoxic copper(II) salicylaldehyde semicarbazone complexes: mode of action and proteomic analysis.
• Authors of publication: Lee, Wan Yen; Lee, Peter Peng Foo; Yan, Yaw Kai; Lau, Mathew
• Journal of publication: Metallomics : integrated biometal science
• Year of publication: 2010
• Journal volume: 2
• Journal issue: 10
• Pages of publication: 694 - 705
• a: 11.83 ± 0.002 Å
• b: 12.567 ± 0.001 Å
• c: 13.948 ± 0.005 Å
• α: 90.41 ± 0.02°
• β: 107.95 ± 0.02°
• γ: 96.696 ± 0.008°
• Cell volume: 1957.2 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0548
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No