Information card for entry 4308720

Structure parameters

• Formula: C10 H12 Cu F6 N4 O6 S2
• Calculated formula: C10 H12 Cu F6 N4 O6 S2
• SMILES: [Cu](OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)([N]#CC)([N]#CC)([N]#CC)[N]#CC
• Title of publication: Reaction of Copper(II) with Ferrocene and 1,1'-Dimethylferrocene in Aqueous Acetonitrile: The Copper(II/I) Self-Exchange Rate
• Authors of publication: Japhet Irangu; Michael J. Ferguson; Robert B. Jordan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 1619 - 1625
• a: 13.5406 ± 0.0017 Å
• b: 10.8441 ± 0.0014 Å
• c: 27.725 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4071 ± 0.9 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No