Information card for entry 7715043

Structure parameters

• Formula: C24 H27 Cu F6 N4 O3 P
• Calculated formula: C24 H27 Cu F6 N4 O3 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: 9.489 ± 0.0014 Å
• b: 10.9068 ± 0.0016 Å
• c: 14.481 ± 0.002 Å
• α: 111.242 ± 0.006°
• β: 103.332 ± 0.006°
• γ: 96.766 ± 0.005°
• Cell volume: 1325.3 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0414
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No