Information card for entry 7106992

Structure parameters

• Formula: C50 H45 Co2 N6 Na O16
• Calculated formula: C50 H44 Co2 N6 Na O16
• Title of publication: Temperature-dependent conductivity of Emim+ (Emim+ = 1-ethyl-3-methyl imidazolium) confined in channels of a metal-organic framework
• Authors of publication: Wen-Xian Chen; Hao-Ran Xu; Gui-Lin Zhuang; La-Sheng Long; Rong-Bin Huang; Lan-Sun Zheng
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 11933
• a: 21.5119 ± 0.0005 Å
• b: 11.8062 ± 0.0003 Å
• c: 19.4114 ± 0.0005 Å
• α: 90°
• β: 94.591 ± 0.002°
• γ: 90°
• Cell volume: 4914.2 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No