Information card for entry 2003355

Structure parameters

• Chemical name: Tetrakis(acetonitrile)copper(I) hexafluorophosphate(V) Acetonitrile solvate (1/1)
• Formula: C10 H15 Cu F6 N5 P
• Calculated formula: C10 H15 Cu F6 N5 P
• SMILES: [Cu]([N]#CC)([N]#CC)([N]#CC)[N]#CC.[P](F)(F)(F)(F)(F)[F-].N#CC
• Title of publication: Tetrakis(acetonitrile-<i>N</i>)copper(I) Hexafluorophosphate(V) Acetonitrile Solvate
• Authors of publication: Black, J. R.; Levason, W.; Webster, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 4
• Pages of publication: 623 - 625
• a: 8.563 ± 0.003 Å
• b: 21.871 ± 0.001 Å
• c: 27.728 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5193 ± 3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.0678
• Goodness-of-fit parameter for significantly intense reflections: 1.09
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No