Information card for entry 2016955

Structure parameters

• Chemical name: tetrakis(acetonitrile-κ<i>N</i>)copper(I) tetrafluoridoborate
• 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: A polymorph of tetrakis(acetonitrile-κ<i>N</i>)copper(I) tetrafluoridoborate
• Authors of publication: Bats, Jan W.; Kretz, Tonia; Lerner, Hans-Wolfram
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: m94 - m96
• a: 8.3184 ± 0.0007 Å
• b: 20.2887 ± 0.0015 Å
• c: 23.822 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4020.4 ± 0.7 ų
• Cell temperature: 156 ± 2 K
• Ambient diffraction temperature: 156 ± 2 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 all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1365
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes