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Information card for entry 2243510
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| Coordinates | 2243510.cif |
|---|---|
| Structure factors | 2243510.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1,10-Phenanthrolinium pentafluoridooxidotungstate(VI) |
|---|---|
| Formula | C12 H9 F5 N2 O W |
| Calculated formula | C12 H9 F5 N2 O W |
| SMILES | [W](F)(F)(F)(F)(F)=O.[nH+]1cccc2c1c1ncccc1cc2 |
| Title of publication | Crystal structure of an ordered [WOF~5~]^{-^} salt: (1,10-phen-H)[WOF~5~] (1,10-phen = 1,10-phenanthroline) |
| Authors of publication | Turnbull, Douglas; Gerken, Michael |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 8 |
| Pages of publication | 1345 - 1348 |
| a | 7.1664 ± 0.0002 Å |
| b | 15.5088 ± 0.0004 Å |
| c | 11.6516 ± 0.0004 Å |
| α | 90° |
| β | 101.202 ± 0.003° |
| γ | 90° |
| Cell volume | 1270.31 ± 0.07 Å3 |
| Cell temperature | 112 ± 0.3 K |
| Ambient diffraction temperature | 112 ± 0.3 K |
| Number of distinct elements | 6 |
| 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 | 0.0189 |
| Residual factor for significantly intense reflections | 0.0162 |
| Weighted residual factors for significantly intense reflections | 0.0368 |
| Weighted residual factors for all reflections included in the refinement | 0.0376 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 254583 (current) | 2020-07-25 | cif/ hkl/ Adding structures of 2243510 via cif-deposit CGI script. |
2243510.cif 2243510.hkl |
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Users of the data should acknowledge the original authors of the
structural data.