Information card for entry 7218297

Structure parameters

• Formula: C14 H32 F6 Li2 N4 O6 S2
• Calculated formula: C14 H32 F6 Li2 N4 O6 S2
• SMILES: [Li]12([N](C)(CC[N]1(C)C)C)[O]=S(=O)(O[Li]1([N](C)(CC[N]1(C)C)C)[O]=S(=O)(O2)C(F)(F)F)C(F)(F)F
• 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: 12.2852 ± 0.0014 Å
• b: 13.5924 ± 0.0016 Å
• c: 16.4701 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2750.3 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0889
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.2063
• Weighted residual factors for all reflections included in the refinement: 0.2276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No