Information card for entry 2229976

Structure parameters

• Chemical name: Poly[[(acetonitrile)lithium(I)]-μ~3~-tetrafluoridoborato]
• Formula: C2 H3 B F4 Li N
• Calculated formula: C2 H3 B F4 Li N
• SMILES: [B](F)(F)(F)[F-].C(C)#N.[Li+]
• Title of publication: Poly[[(acetonitrile)lithium(I)]-μ~3~-tetrafluoridoborato]
• Authors of publication: Seo, Daniel M.; Boyle, Paul D.; Henderson, Wesley A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: m547
• a: 7.8248 ± 0.0006 Å
• b: 8.8187 ± 0.0007 Å
• c: 8.2932 ± 0.0006 Å
• α: 90°
• β: 95.5708 ± 0.0018°
• γ: 90°
• Cell volume: 569.57 ± 0.08 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1177
• 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: No
• Has Fobs: Yes