Information card for entry 4000788

Structure parameters

• Formula: C64 H88 F72 Li8 N16 O48 S24
• Calculated formula: C64 H88 F72 Li8 N16 O48 S24
• Title of publication: Phase Behavior of Ionic Liquid‒LiX Mixtures: Pyrrolidinium Cations and TFSI‒Anions ‒ Linking Structure to Transport Properties
• Authors of publication: Zhou, Qian; Boyle, Paul D.; Malpezzi, Luciana; Mele, Andrea; Shin, Joon-Ho; Passerini, Stefano; Henderson, Wesley A.
• Journal of publication: Chemistry of Materials
• Year of publication: 2011
• Journal volume: 23
• Journal issue: 19
• Pages of publication: 4331
• a: 18.4848 ± 0.0006 Å
• b: 19.1867 ± 0.0006 Å
• c: 22.1063 ± 0.0008 Å
• α: 74.5677 ± 0.0019°
• β: 88.853 ± 0.002°
• γ: 89.2831 ± 0.0018°
• Cell volume: 7555.9 ± 0.4 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 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: 0.0947
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No