Information card for entry 4076363

Structure parameters

• Chemical name: (1,3-Dimethyl-2,3-dihydro-1<i>H</i>-imidazol-2-ylidene-κ<i>C</i>^2^)pentafluorophosphorous
• Formula: C5 H8 F5 N2 P
• Calculated formula: C5 H8 F5 N2 P
• SMILES: [P](F)(F)(F)(F)(F)=C1N(C=CN1C)C
• Title of publication: High-Yield Thermolytic Conversion of Imidazolium Salts into Arduengo Carbene Adducts with BF3and PF5
• Authors of publication: Tian, Chong; Nie, Wanli; Borzov, Maxim V.; Su, Pengfei
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 5
• Pages of publication: 1751
• a: 7.1365 ± 0.0008 Å
• b: 15.0684 ± 0.0016 Å
• c: 7.7793 ± 0.0009 Å
• α: 90°
• β: 92.141 ± 0.002°
• γ: 90°
• Cell volume: 835.97 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No