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Information card for entry 2006919
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| Coordinates | 2006919.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Tetrakis(acetonitrilo)copper(I) Tetrafluoroborate |
|---|---|
| Formula | C8 H12 B Cu F4 N4 |
| Calculated formula | C8 H12 B Cu F4 N4 |
| SMILES | [Cu]([N]#CC)([N]#CC)([N]#CC)[N]#CC.[B](F)(F)(F)[F-] |
| Title of publication | Tetrakis(acetonitrile-<i>N</i>)copper(I) Tetrafluoroborate |
| Authors of publication | Jones, Peter G.; Crespo, Olga |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1998 |
| Journal volume | 54 |
| Journal issue | 1 |
| Pages of publication | 18 - 20 |
| a | 23.882 ± 0.004 Å |
| b | 8.3285 ± 0.0012 Å |
| c | 20.338 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4045.3 ± 1.1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0745 |
| Residual factor for significantly intense reflections | 0.0437 |
| Weighted residual factors for all reflections | 0.0907 |
| Weighted residual factors for significantly intense reflections | 0.0834 |
| Goodness-of-fit parameter for all reflections | 0.931 |
| Goodness-of-fit parameter for significantly intense reflections | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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