Information card for entry 7218294

Structure parameters

• Formula: C18 H36 F12 Li2 N6 O8 S4
• Calculated formula: C18 H36 F12 Li2 N6 O8 S4
• SMILES: [Li]12([N](C)(C)CCC[N]1(C)C)OS(C(F)(F)F)(=O)=NS(=O)(C(F)(F)F)=[O][Li]1([N](C)(C)CCC[N]1(C)C)OS(C(F)(F)F)(=O)=NS(=O)(C(F)(F)F)=[O]2
• 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: 8.4167 ± 0.0011 Å
• b: 10.2057 ± 0.0014 Å
• c: 11.0501 ± 0.0015 Å
• α: 83.969 ± 0.003°
• β: 78.625 ± 0.002°
• γ: 79.928 ± 0.003°
• Cell volume: 913.7 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No