Information card for entry 2230141

Structure parameters

• Common name: (acetonitrile)~1~:lithium bis(trifluoromethanesulfonyl)imide
• Chemical name: Poly[bis(acetonitrile-κ<i>N</i>)bis[μ~3~- bis(trifluoromethanesulfonyl)imido-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'': <i>O</i>''']dilithium]
• Formula: C8 H6 F12 Li2 N4 O8 S4
• Calculated formula: C8 H6 F12 Li2 N4 O8 S4
• SMILES: [Li]1234([O]=S5(C(F)(F)F)=[O][Li]678([O]=S(O2)(=NS(=[O]6)(=[O][Li]([O]=S(O1)(=N5)C(F)(F)F)([N]#CC)[N]#CC)C(F)(F)F)C(F)(F)F)[O]=S1(=[O][Li]256(OS(=O)(=NS(=[O]2)(=[O][Li]([O]=S(=O)(N=S(O5)(=O)C(F)(F)F)C(F)(F)F)([N]#CC)[N]#CC)C(F)(F)F)C(F)(F)F)[O]=S(O[Li]([O]=S(O8)(=NS(=[O]6)(=[O]7)C(F)(F)F)C(F)(F)F)([N]#CC)[N]#CC)(=N1)C(F)(F)F)C(F)(F)F)[O]=S1(=[O][Li]2[O]=S(O4)(=NS(=[O]2)(=[O][Li](OS(=[O]3)(=N1)C(F)(F)F)([N]#CC)[N]#CC)C(F)(F)F)C(F)(F)F)C(F)(F)F
• Title of publication: Poly[bis(acetonitrile-κ<i>N</i>)bis[μ~3~-bis(trifluoromethanesulfonyl)imido-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'':<i>O</i>''']dilithium]
• 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: m534
• a: 10.8654 ± 0.0002 Å
• b: 11.061 ± 0.0002 Å
• c: 19.1778 ± 0.0003 Å
• α: 90°
• β: 90.8483 ± 0.001°
• γ: 90°
• Cell volume: 2304.58 ± 0.07 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes