Information card for entry 4334290

Structure parameters

• Common name: [Cu(1)(CO)]PF6
• Formula: C31 H21 Cu F18 N3 O P
• Calculated formula: C31 H21 Cu F17.96 N3 O P
• Title of publication: New Cu(I)-Ethylene Complexes Based on Tridentate Imine Ligands: Synthesis and Structure
• Authors of publication: Parisa Ebrahimpour; Mairi F. Haddow; Duncan F. Wass
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 3765 - 3771
• a: 15.1661 ± 0.0001 Å
• b: 15.1661 ± 0.0001 Å
• c: 15.1661 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3488.36 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No