Information card for entry 7715042

Structure parameters

• Formula: C17 H17 Cu F6 N4 O2 P
• Calculated formula: C17 H17 Cu F6 N4 O2 P
• Title of publication: Three water-soluble copper(II) <i>N</i>-heterocyclic carbene complexes: toward copper-catalyzed ketone reduction under sustainable conditions.
• Authors of publication: Sharma, Mitu; Perkins, Amanda M.; Awoyemi, Raymond Femi; Schmittou, Allison N.; Raju, Selvam; Pierce, Brad S.; Donnadieu, Bruno; Wipf, David O.; Stokes, Sean L.; Emerson, Joseph P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 3180 - 3190
• a: 13.0314 ± 0.0003 Å
• b: 17.4564 ± 0.0004 Å
• c: 9.0216 ± 0.0002 Å
• α: 90°
• β: 103.677 ± 0.0014°
• γ: 90°
• Cell volume: 1994.05 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0814
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No