Information card for entry 4303702

Structure parameters

• Formula: C40 H43 Cu2 F6 N9 O6 S2
• Calculated formula: C40 H43 Cu2 F6 N9 O6 S2
• SMILES: [Cu]123[n]4ccccc4C[N]41CC[N]2=Cc1ccc(cc1)C=[N]1[Cu]25[N](CC1)(Cc1[n]2cccc1)CC[N]5=Cc1ccc(cc1)C=[N]3CC4.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.CC#N
• Title of publication: DNA-Cleavage Induced by New Macrocyclic Schiff base Dinuclear Cu(I) Complexes Containing Pyridyl Pendant Arms
• Authors of publication: Arnau Arbuse; Marc Font; Ma Angeles Martínez; Xavier Fontrodona; Ma José Prieto; Virtudes Moreno; Xavier Sala; Antoni Llobet
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 11098 - 11107
• a: 10.7658 ± 0.0011 Å
• b: 13.4453 ± 0.0014 Å
• c: 16.566 ± 0.0017 Å
• α: 110.323 ± 0.002°
• β: 94.852 ± 0.002°
• γ: 98.578 ± 0.002°
• Cell volume: 2199.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1094
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No