Information card for entry 8104974

Structure parameters

• Formula: C9 H14 F12 N4 P2
• Calculated formula: C9 H14 F12 N4 P2
• Title of publication: Crystal structure of 1,1′-(methane-1,1-diyl)bis(3-methyl-1H-imidazol-3-ium) bis(hexafluoridophosphate), C9H14F12N4P2
• Authors of publication: Huang-Xian, Zhang; Kun, Yuan; Qi-Long, Du; Xu-Liang, Nie; Wan-Ming, Xiong
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 1
• Pages of publication: 109 - 111
• a: 5.8968 ± 0.0009 Å
• b: 11.5554 ± 0.0018 Å
• c: 12.994 ± 0.002 Å
• α: 90°
• β: 94.577 ± 0.002°
• γ: 90°
• Cell volume: 882.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1943
• Weighted residual factors for all reflections included in the refinement: 0.202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No