Information card for entry 4303720

Structure parameters

• Formula: C54 H54 Cu2 F6 N8 O11 S2
• Calculated formula: C54 H54 Cu2 F6 N8 O11 S2
• SMILES: [Cu]123([O]=n4c(O1)cccc4)[N](CCc1[n]2cccc1)(CCc1[n]3cccc1)Cc1ccccc1c1ccccc1C[N]12[Cu]3([O]=n4c(O3)cccc4)([n]3c(CC1)cccc3)[n]1c(CC2)cccc1.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.O
• Title of publication: Binding of 2-Hydroxypyridine-N-oxide on Dicopper(II) Centers: Insights into Tyrosinase Inhibition Mechanism by Transition-State Analogs
• Authors of publication: Eugénie Peyroux; Wadih Ghattas; Renaud Hardré; Michel Giorgi; Bruno Faure; A. Jalila Simaan; Catherine Belle; Marius Réglier
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 10874 - 10876
• a: 12.46 ± 0.0007 Å
• b: 14.923 ± 0.001 Å
• c: 16.827 ± 0.001 Å
• α: 97.528 ± 0.003°
• β: 92.715 ± 0.002°
• γ: 113.105 ± 0.003°
• Cell volume: 2836.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1842
• Residual factor for significantly intense reflections: 0.1019
• Weighted residual factors for significantly intense reflections: 0.1965
• Weighted residual factors for all reflections included in the refinement: 0.2408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No