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Information card for entry 4076364
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Coordinates | 4076364.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (1,3-Dimethyl-1<i>H</i>-imidazolium-2-yl)methylpentafluorophosphate |
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Formula | C6 H10 F5 N2 P |
Calculated formula | C6 H10 F5 N2 P |
SMILES | c1(C[P](F)(F)(F)(F)F)n(cc[n+]1C)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 | 8.3723 ± 0.0012 Å |
b | 7.5087 ± 0.001 Å |
c | 14.914 ± 0.002 Å |
α | 90° |
β | 94.799 ± 0.004° |
γ | 90° |
Cell volume | 934.3 ± 0.2 Å3 |
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 | 0.0924 |
Residual factor for significantly intense reflections | 0.0574 |
Weighted residual factors for significantly intense reflections | 0.1501 |
Weighted residual factors for all reflections included in the refinement | 0.1659 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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