Information card for entry 1507926

Structure parameters

• Formula: C56 H58 Cu2 F12 N6 O19 S4
• Calculated formula: C56 H56 Cu2 F12 N6 O19 S4
• SMILES: [Cu]12([OH2])[N](Cc3[n]1cccc3)(Cc1[n]2cccc1)Cc1cc2ccccc2c2Cc3c4ccccc4cc(c3OCCOc12)C[N]12[Cu]([OH2])([OH2])([n]3c(C1)cccc3)[n]1c(C2)cccc1.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.O.O=C(C)C.C(F)(F)(F)S(=O)(=O)[O-]
• 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: 18.3967 ± 0.0001 Å
• b: 13.868 ± 0.0001 Å
• c: 26.5326 ± 0.0002 Å
• α: 90°
• β: 98.194 ± 0.0004°
• γ: 90°
• Cell volume: 6700.04 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0782
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1712
• Weighted residual factors for all reflections included in the refinement: 0.1815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No