Information card for entry 4067987

Structure parameters

• Formula: C6 H13 F4 N2 P
• Calculated formula: C6 H13 F4 N2 P
• SMILES: [P](F)(F)(F)(F)(=C1N(C)CCN1C)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: 8.1994 ± 0.001 Å
• b: 9.3389 ± 0.0011 Å
• c: 12.4262 ± 0.0015 Å
• α: 90°
• β: 105.505 ± 0.006°
• γ: 90°
• Cell volume: 916.89 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1432
• 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