Information card for entry 7014277

Structure parameters

• Formula: C22 H32 Cu2 N4 O10 S6
• Calculated formula: C22 H32 Cu2 N4 O10 S6
• SMILES: C(CSSCC[NH3+])[N]1[Cu]23(OS(=[O]2)(=O)O[Cu]24([N](=Cc5c(cccc5)O2)CCSSCC[NH3+])OS(O3)(=[O]4)=O)Oc2ccccc2C=1
• Title of publication: Synthetic analogue approach for the functional domains of copper(II) bleomycins and its DNA cleavage activity.
• Authors of publication: Dhar, Shanta; Nethaji, Munirathinam; Chakravarty, Akhil R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 24
• Pages of publication: 4180 - 4184
• a: 12.771 ± 0.007 Å
• b: 15.664 ± 0.009 Å
• c: 8.544 ± 0.005 Å
• α: 90°
• β: 105.971 ± 0.009°
• γ: 90°
• Cell volume: 1643.2 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0652
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No