Information card for entry 7028425

Structure parameters

• Formula: C7 H10 F9 N2 P
• Calculated formula: C7 H10 F9 N2 P
• SMILES: P(F)(F)(F)(F)(=C1N(CCN1C)C)C(F)(F)C(F)(F)F
• Title of publication: Carbene complexes of phosphorus(v) fluorides substituted with perfluoroalkyl-groups synthesized by oxidative addition. Cleavage of the complexes reveals a new synthetic protocol for ionic liquids.
• Authors of publication: Böttcher, Tobias; Steinhauer, Simon; Allefeld, Nadine; Hoge, Berthold; Neumann, Beate; Stammler, Hans Georg; Bassil, Bassem S.; Winter, Martin; Mitzel, Norbert W.; Röschenthaler, Gerd-Volker
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 7
• Pages of publication: 2979 - 2987
• a: 8.6479 ± 0.0002 Å
• b: 10.9687 ± 0.0002 Å
• c: 12.724 ± 0.0003 Å
• α: 87.6528 ± 0.0016°
• β: 70.535 ± 0.002°
• γ: 87.9102 ± 0.0017°
• Cell volume: 1136.68 ± 0.05 ų
• Cell temperature: 99.95 ± 0.16 K
• Ambient diffraction temperature: 99.95 ± 0.16 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0313
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No