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Information card for entry 4084332
Preview
| Coordinates | 4084332.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H48 N8 O8 S4 W2 |
|---|---|
| Calculated formula | C28 H48 N8 O8 S4 W2 |
| Title of publication | Synthesis and Characterization of Molybdenum(0) and Tungsten(0) Complexes of Tetramethylthiourea: Single-Source Precursors for MoS2and WS2 |
| Authors of publication | Shupp, John P.; Kinne, Adam S.; Arman, Hadi D.; Tonzetich, Zachary J. |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 19 |
| Pages of publication | 5238 |
| a | 9.74 ± 0.003 Å |
| b | 9.873 ± 0.003 Å |
| c | 13.305 ± 0.004 Å |
| α | 107.31 ± 0.002° |
| β | 94.23 ± 0.03° |
| γ | 119.48 ± 0.003° |
| Cell volume | 1025.4 ± 0.6 Å3 |
| Cell temperature | 98 ± 2 K |
| Ambient diffraction temperature | 98 ± 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 | 0.0467 |
| Residual factor for significantly intense reflections | 0.0443 |
| Weighted residual factors for significantly intense reflections | 0.1159 |
| Weighted residual factors for all reflections included in the refinement | 0.1176 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4084332.cif |
| 178732 | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/43. |
4084332.cif |
| 127218 | 2014-11-12 | cif/ Updating files of 4084329, 4084330, 4084331, 4084332 Original log message: Adding full bibliography for 4084329--4084332.cif. |
4084332.cif |
| 122684 | 2014-08-31 | cif/ Adding structures of 4084329, 4084330, 4084331, 4084332 via cif-deposit CGI script. |
4084332.cif |
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Users of the data should acknowledge the original authors of the
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