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Information card for entry 7211881
Preview
Coordinates | 7211881.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Potasium nonafluorobutylsulfonate acetonitril solvate |
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Formula | C6 H3 F9 K N O3 S |
Calculated formula | C6 H3 F9 K N O3 S |
SMILES | [K+].C(C(C(C(F)(F)F)(F)F)(F)F)(F)(F)S(=O)(=O)[O-].C(#N)C |
Title of publication | Synthesis, crystal and molecular structure of alkali metal nonaflates |
Authors of publication | Brüdgam, Irene; Lentz, Dieter; Vorbrüggen, Helmut |
Journal of publication | CrystEngComm |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 3 |
Pages of publication | 795 |
a | 9.493 ± 0.002 Å |
b | 8.5886 ± 0.0015 Å |
c | 30.962 ± 0.005 Å |
α | 90° |
β | 95.036 ± 0.019° |
γ | 90° |
Cell volume | 2514.6 ± 0.8 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 7 |
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 | 0.0553 |
Residual factor for significantly intense reflections | 0.0437 |
Weighted residual factors for significantly intense reflections | 0.1379 |
Weighted residual factors for all reflections included in the refinement | 0.1489 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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