Information card for entry 4067986

Structure parameters

• Formula: C5 H12 F5 N2 P
• Calculated formula: C5 H12 F5 N2 P
• SMILES: [P](F)(F)(F)(F)(F)=C(N(C)C)N(C)C
• Title of publication: Carbene Complexes of Phosphorus(V) Fluorides by Oxidative Addition of 2,2-Difluorobis(dialkylamines) to Phosphorus(III) Halides
• Authors of publication: Böttcher, Tobias; Shyshkov, Oleg; Bremer, Matthias; Bassil, Bassem S.; Röschenthaler, Gerd-Volker
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 4
• Pages of publication: 1278
• a: 6.1807 ± 0.0002 Å
• b: 13.8148 ± 0.0005 Å
• c: 10.7253 ± 0.0004 Å
• α: 90°
• β: 99.377 ± 0.002°
• γ: 90°
• Cell volume: 903.54 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0267
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0614
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No