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Information card for entry 2214555
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| Coordinates | 2214555.cif |
|---|---|
| Structure factors | 2214555.hkl |
| Original IUCr paper | HTML |
| Chemical name | Methylenebis(phosphonic difluoride) |
|---|---|
| Formula | C H2 F4 O2 P2 |
| Calculated formula | C H2 F4 O2 P2 |
| SMILES | P(=O)(F)(CP(=O)(F)F)F |
| Title of publication | Methylenebis(phosphonic difluoride) |
| Authors of publication | Blaurock, Steffen; Fischer, Axel; Schmutzler, Reinhard; Edelmann, Frank T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2007 |
| Journal volume | 63 |
| Journal issue | 8 |
| Pages of publication | o3496 - o3496 |
| a | 16.975 ± 0.002 Å |
| b | 5.2277 ± 0.0006 Å |
| c | 12.9176 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1146.3 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0313 |
| Residual factor for significantly intense reflections | 0.028 |
| Weighted residual factors for significantly intense reflections | 0.0736 |
| Weighted residual factors for all reflections included in the refinement | 0.0755 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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