Information card for entry 8103298

Structure parameters

• Formula: C11 H23 N2 O3 P Se
• Calculated formula: C11 H23 N2 O3 P Se
• Title of publication: Crystal structure of 1-butyl-2,3-dimethylimidazolium O,Se-dimethyl selenophosphate, [C9H17N2][C2H6O3PSe], a new ionic liquid
• Authors of publication: Carmen Froschauer; Klaus Wurst; Gerhard Laus; Hedda K. Weber; Herwig Schottenberger
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2012
• Journal volume: 227
• Journal issue: 1
• Pages of publication: 21
• a: 7.1451 ± 0.0002 Å
• b: 8.5754 ± 0.0003 Å
• c: 14.0997 ± 0.0006 Å
• α: 73.547 ± 0.002°
• β: 80.983 ± 0.002°
• γ: 75.553 ± 0.002°
• Cell volume: 798.89 ± 0.05 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0956
• 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: Yes
• Has Fobs: No