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Information card for entry 7005089
Preview
| Coordinates | 7005089.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H16 Cl6 O5 Re2 |
|---|---|
| Calculated formula | C8 H16 Cl6 O5 Re2 |
| SMILES | [Re](O[Re](=O)(Cl)(Cl)(Cl)[O]1CCCC1)(=O)(Cl)(Cl)(Cl)[O]1CCCC1 |
| Title of publication | Rhenium oxohalides: synthesis and crystal structures of ReO3Cl(THF)2, ReOCl4(THF), Re2O3Cl6(THF)2, and Re2O3Cl6(H2O)2. |
| Authors of publication | Noh, Wontae; Girolami, Gregory S. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2007 |
| Journal issue | 6 |
| Pages of publication | 674 - 679 |
| a | 8.285 ± 0.002 Å |
| b | 9.252 ± 0.003 Å |
| c | 12.07 ± 0.003 Å |
| α | 91.525 ± 0.004° |
| β | 90.116 ± 0.004° |
| γ | 92.49 ± 0.004° |
| Cell volume | 924 ± 0.4 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0574 |
| Residual factor for significantly intense reflections | 0.0364 |
| Weighted residual factors for significantly intense reflections | 0.0803 |
| Weighted residual factors for all reflections included in the refinement | 0.0862 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.945 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179754 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/50. |
7005089.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7005089.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7005089.cif |
| 1186 | 2010-06-03 | Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing. | 7005089.cif |
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Users of the data should acknowledge the original authors of the
structural data.