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Information card for entry 2200804
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| Coordinates | 2200804.cif |
|---|---|
| Structure factors | 2200804.hkl |
| Original IUCr paper | HTML |
| Common name | (MeCN)6Fe (SbF6)2 |
|---|---|
| Chemical name | hexakis(acetonitrile) iron(II) hexafluoroantimonate |
| Formula | C12 H18 F12 Fe N6 Sb2 |
| Calculated formula | C12 H18 F12 Fe N6 Sb2 |
| SMILES | C(C)#[N][Fe]([N]#CC)([N]#CC)([N]#CC)([N]#CC)[N]#CC.F[Sb](F)(F)(F)(F)[F-].F[Sb](F)(F)(F)(F)[F-] |
| Title of publication | Hexakis(acetonitrile)iron(II) hexafluoroantimonate |
| Authors of publication | Brennessel, William W.; Brooks, Neil R.; Mehn, Mark P.; Que Jr, Lawrence; Young Jr, Victor G. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 11 |
| Pages of publication | m545 - m546 |
| a | 11.3398 ± 0.0006 Å |
| b | 11.3398 ± 0.0006 Å |
| c | 17.3584 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1933.09 ± 0.19 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.025 |
| Residual factor for significantly intense reflections | 0.024 |
| Weighted residual factors for all reflections included in the refinement | 0.069 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.12 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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Users of the data should acknowledge the original authors of the
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