Information card for entry 4303701

Structure parameters

• Formula: C42 H51 Cu2 F12 N9 Sb2
• Calculated formula: C42 H51 Cu2 F12 N9 Sb2
• SMILES: [Sb](F)(F)(F)([F-])(F)F.[Sb](F)(F)(F)(F)(F)[F-].[Cu]123[N]4=Cc5cc(C=[N]6[Cu]78[N](=Cc9cc(C=[N]2CCC[N]1(CCC4)Cc1[n]3cccc1)ccc9)CCC[N]7(CCC6)Cc1[n]8cccc1)ccc5.N#CC
• 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: 11.9994 ± 0.0009 Å
• b: 24.7847 ± 0.0018 Å
• c: 16.6745 ± 0.0012 Å
• α: 90°
• β: 96.019 ± 0.001°
• γ: 90°
• Cell volume: 4931.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0558
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No