Information card for entry 2006919

Structure parameters

• Chemical name: Tetrakis(acetonitrilo)copper(I) Tetrafluoroborate
• Formula: C8 H12 B Cu F4 N4
• Calculated formula: C8 H12 B Cu F4 N4
• SMILES: [Cu]([N]#CC)([N]#CC)([N]#CC)[N]#CC.[B](F)(F)(F)[F-]
• Title of publication: Tetrakis(acetonitrile-<i>N</i>)copper(I) Tetrafluoroborate
• Authors of publication: Jones, Peter G.; Crespo, Olga
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 1
• Pages of publication: 18 - 20
• a: 23.882 ± 0.004 Å
• b: 8.3285 ± 0.0012 Å
• c: 20.338 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4045.3 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0745
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for all reflections: 0.0907
• Weighted residual factors for significantly intense reflections: 0.0834
• Goodness-of-fit parameter for all reflections: 0.931
• Goodness-of-fit parameter for significantly intense reflections: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No