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Information card for entry 2021823
Preview
| Coordinates | 2021823.cif |
|---|---|
| Structure factors | 2021823.hkl |
| Original IUCr paper | HTML |
| Common name | Bis(tetraphenylarsonium) hexafluoridotechnetate(IV) dihydrate |
|---|---|
| Formula | C48 H40 As2 F6 O2 Tc |
| Calculated formula | C48 H40 As2 F6 O2 Tc |
| SMILES | [Tc](F)(F)(F)(F)([F-])[F-].[As+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[As+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O.O |
| Title of publication | Bis(tetraphenylarsonium) hexafluoridotechnetate(IV) dihydrate: preparation, structure and spectroscopic analysis |
| Authors of publication | Balasekaran, Samundeeswari Mariappan; Poineau, Frederic |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 12 |
| a | 10.043 ± 0.002 Å |
| b | 11.036 ± 0.002 Å |
| c | 21.159 ± 0.004 Å |
| α | 75.991 ± 0.003° |
| β | 77.963 ± 0.003° |
| γ | 71.388 ± 0.003° |
| Cell volume | 2134.3 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0278 |
| Residual factor for significantly intense reflections | 0.0241 |
| Weighted residual factors for significantly intense reflections | 0.0593 |
| Weighted residual factors for all reflections included in the refinement | 0.0608 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 227865 (current) | 2019-11-15 | cif/ hkl/ Adding structures of 2021823 via cif-deposit CGI script. |
2021823.cif 2021823.hkl |
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Users of the data should acknowledge the original authors of the
structural data.