Information card for entry 8106268

Structure parameters

• Formula: C13 H22 F12 N4 P2
• Calculated formula: C13 H22 F12 N4 P2
• Title of publication: Crystal structure of 1,1′-(pentane-1,5-diyl)bis(3-methyl-1H-imidazol-3-ium)bis(hexafluorophosphate), C13H22F12N4P2
• Authors of publication: Wan-Ming, Xiong; Long, Zhou; Shen-Ming, Lv; Xu-Liang, Nie; Jing, Chen; Chang-Gan, Huang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 4
• Pages of publication: 701 - 703
• a: 12.9171 ± 0.0013 Å
• b: 13.3953 ± 0.0013 Å
• c: 12.5808 ± 0.0012 Å
• α: 90°
• β: 97.766 ± 0.001°
• γ: 90°
• Cell volume: 2156.9 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0783
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1381
• Weighted residual factors for all reflections included in the refinement: 0.1557
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No