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Information card for entry 7012958
Preview
| Coordinates | 7012958.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1-thia-4-tellurocyclohexane |
|---|---|
| Formula | C4 H8 S Te |
| Calculated formula | C4 H8 S Te |
| Title of publication | Synthesis, characterisation and coordinating properties of the small ring S2Te-donor macrocycles [9]aneS2Te, [11]aneS2Te and [12]aneS2Te |
| Authors of publication | Hesford, Matthew J.; Levason, William; Matthews, Melissa L.; Orchard, Simon D.; Reid, Gillian |
| Journal of publication | Dalton Transactions |
| Year of publication | 2003 |
| Journal issue | 12 |
| Pages of publication | 2434 |
| a | 7.02 ± 0.002 Å |
| b | 5.6344 ± 0.0015 Å |
| c | 8.009 ± 0.003 Å |
| α | 90° |
| β | 93.635 ± 0.01° |
| γ | 90° |
| Cell volume | 316.15 ± 0.17 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0292 |
| Residual factor for significantly intense reflections | 0.0266 |
| Weighted residual factors for significantly intense reflections | 0.0683 |
| Weighted residual factors for all reflections included in the refinement | 0.0694 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7012958.cif |
| 179833 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/29. |
7012958.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7012958.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7012958.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7012958.cif |
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Users of the data should acknowledge the original authors of the
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