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Information card for entry 2231020
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| Coordinates | 2231020.cif |
|---|---|
| Structure factors | 2231020.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>trans</i>-Dichloridobis(3,5-dimethylpyridine- κ<i>N</i>)(ethanolato-κ<i>O</i>)oxidorhenium(V) |
|---|---|
| Formula | C16 H23 Cl2 N2 O2 Re |
| Calculated formula | C16 H23 Cl2 N2 O2 Re |
| SMILES | [Re](Cl)(Cl)(=O)(OCC)([n]1cc(cc(c1)C)C)[n]1cc(cc(c1)C)C |
| Title of publication | <i>trans</i>-Dichloridobis(3,5-dimethylpyridine-κ<i>N</i>)(ethanolato-κ<i>O</i>)oxidorhenium(V) |
| Authors of publication | Skarżyńska, Anna; Trzeciak, Anna M.; Gniewek, Andrzej |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 8 |
| Pages of publication | m1154 - m1155 |
| a | 8.782 ± 0.002 Å |
| b | 9.458 ± 0.002 Å |
| c | 12.022 ± 0.003 Å |
| α | 76.71 ± 0.03° |
| β | 70.84 ± 0.03° |
| γ | 73.21 ± 0.03° |
| Cell volume | 892.9 ± 0.4 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 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 | 0.0264 |
| Residual factor for significantly intense reflections | 0.021 |
| Weighted residual factors for significantly intense reflections | 0.0422 |
| Weighted residual factors for all reflections included in the refinement | 0.0428 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.96 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181232 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/10. |
2231020.cif 2231020.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2231020.cif 2231020.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231020.cif 2231020.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2231020.cif 2231020.hkl |
| 27511 | 2011-10-06 | hkl/ Committing assigned Fobs data for the recently deposited coordinates from IUCr journals. |
2231020.cif 2231020.hkl |
| 26912 | 2011-09-29 | ../uploads/cif-deposit/cod/cif Adding structures of 2231020 via cif-deposit CGI script. |
2231020.cif |
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Users of the data should acknowledge the original authors of the
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