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Information card for entry 4304821
Preview
| Coordinates | 4304821.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C33 H33 Mo O7 P S3 |
|---|---|
| Calculated formula | C33 H33 Mo O7 P S3 |
| SMILES | [Mo](=S)(=S)([S-])OC(CC(=O)OC)(CC(=O)OC)C(=O)OC.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Trithio-Chloro Molybdate [MoClS3]-: A Versatile Precursor for Molybdenum Trisulfido Complexes |
| Authors of publication | Jun-ichi Ito; Yasuhiro Ohki; Masatoshi Iwata; Kazuyuki Tatsumi |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2008 |
| Journal volume | 47 |
| Pages of publication | 3763 - 3771 |
| a | 8.787 ± 0.002 Å |
| b | 17.862 ± 0.004 Å |
| c | 22.379 ± 0.005 Å |
| α | 90° |
| β | 94.839 ± 0.002° |
| γ | 90° |
| Cell volume | 3499.9 ± 1.4 Å3 |
| Cell temperature | 173.2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.0323 |
| Weighted residual factors for all reflections included in the refinement | 0.0468 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301836 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure. |
4304821.cif |
| 201982 | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4304821.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4304821.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4304821.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4304821.cif |
| 1163 | 2010-05-11 | cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition. | 4304821.cif |
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Users of the data should acknowledge the original authors of the
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