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Information card for entry 4126229
Preview
| Coordinates | 4126229.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H20 Cl N O3 Xe |
|---|---|
| Calculated formula | C8 H20 Cl N O3 Xe |
| SMILES | [Xe](=O)(=O)=O.[Cl-].[N+](CC)(CC)(CC)CC |
| Title of publication | Stable Chloro- and Bromoxenate Cage Anions; [X3(XeO3)3](3-) and [X4(XeO3)4](4-) (X = Cl or Br). |
| Authors of publication | Goettel, James T.; Haensch, Veit; Schrobilgen, Gary J. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| a | 19.0517 ± 0.0007 Å |
| b | 13.3595 ± 0.0004 Å |
| c | 15.4892 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3942.3 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0706 |
| Residual factor for significantly intense reflections | 0.0454 |
| Weighted residual factors for significantly intense reflections | 0.0885 |
| Weighted residual factors for all reflections included in the refinement | 0.0979 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 254024 (current) | 2020-07-06 | cif/4 Fixing Z values and formulae |
4126229.cif |
| 197943 | 2017-06-20 | cif/ Adding structures of 4126229 via cif-deposit CGI script. |
4126229.cif |
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