Information card for entry 7028421

Structure parameters

• Formula: C5 H10 F2 N2
• Calculated formula: C5 H10 F2 N2
• SMILES: FC1(F)N(CCN1C)C
• 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: 10.2799 ± 0.0008 Å
• b: 6.122 ± 0.0005 Å
• c: 10.4446 ± 0.0005 Å
• α: 90°
• β: 96.922 ± 0.005°
• γ: 90°
• Cell volume: 652.52 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0395
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No