Information card for entry 4334291

Structure parameters

• Common name: [Cu(1)(NCMe)]PF6
• Formula: C32 H24 Cu F18 N4 P
• Calculated formula: C32 H23.97 Cu F17.96 N4 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: 15.312 ± 0.002 Å
• b: 15.312 ± 0.002 Å
• c: 15.312 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3590 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.09
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.1482
• 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: Yes
• Has Fobs: No