Information card for entry 7218296

Structure parameters

• Formula: C24 H48 F12 Li2 N6 O8 S4
• Calculated formula: C24 H48 F12 Li2 N6 O8 S4
• SMILES: [Li]123([N](CC)(CC)CC[N]1(CC)CC)[O]=S(C(F)(F)F)(=O)N=S(O2)(C(F)(F)F)=[O][Li]12([N](CC)(CC)CC[N]1(CC)CC)[O]=S(C(F)(F)F)(=O)N=S(O2)(C(F)(F)F)=[O]3
• Title of publication: Precisely controlled supramolecular ionic conduction paths and their structure‒conductivity relationships for lithium ion transport
• Authors of publication: Moriya, Makoto; Nomura, Kuniyoshi; Sakamoto, Wataru; Yogo, Toshinobu
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 45
• Pages of publication: 10512
• a: 11.964 ± 0.003 Å
• b: 10.381 ± 0.003 Å
• c: 16.974 ± 0.004 Å
• α: 90°
• β: 100.531 ± 0.004°
• γ: 90°
• Cell volume: 2072.6 ± 0.9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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: 0.0362
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No