Information card for entry 1507927

Structure parameters

• Formula: C23 H24 Cu F6 N4 O7 S2
• Calculated formula: C23 H22 Cu F6 N4 O7 S2
• SMILES: [Cu]12([OH2])([N](Cc3[n]1cccc3)(Cc1[n]2cccc1)Cc1ccccc1)[N]#CC.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Binuclear copper(II) complexes 1: Synthesis, characterization and evaluation of a new complex in phosphatase-like activity
• Authors of publication: Schickea, Olivier; Faurea, Bruno; Giorgib, Michel; Simaana, A. Jalila; Reglier, Marius
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 391
• Pages of publication: 189 - 194
• a: 11.069 ± 0.0006 Å
• b: 8.641 ± 0.007 Å
• c: 16.481 ± 0.001 Å
• α: 90°
• β: 108.812 ± 0.002°
• γ: 90°
• Cell volume: 1492.2 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No