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Information card for entry 4321061
Preview
| Coordinates | 4321061.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Chemical name | [W(S2C2Ph2)(OSiPh3)2(Me4phen)](MeCN) |
|---|---|
| Formula | C68 H59 N3 O2 S2 Si2 W |
| Calculated formula | C68 H59 N3 O2 S2 Si2 W |
| SMILES | [W]12(SC(=C(S1)c1ccccc1)c1ccccc1)(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)[n]1cc(c(c3c1c1[n]2cc(c(c1cc3)C)C)C)C.N#CC |
| Title of publication | Oxo/Sulfidotungstate(VI) as Precursors to WVIO2, WVIOS, and WVIS2 Complexes and WIV-Dithiolene Chelate Rings |
| Authors of publication | Mingming Miao; Michael W. Willer; R. H. Holm |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2000 |
| Journal volume | 39 |
| Pages of publication | 2843 - 2849 |
| a | 13.3052 ± 0.0015 Å |
| b | 14.9587 ± 0.0014 Å |
| c | 17.5488 ± 0.0012 Å |
| α | 109.33 ± 0.007° |
| β | 103.813 ± 0.01° |
| γ | 106.667 ± 0.008° |
| Cell volume | 2934.4 ± 0.6 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.039 |
| Residual factor for significantly intense reflections | 0.0291 |
| Weighted residual factors for significantly intense reflections | 0.0613 |
| Weighted residual factors for all reflections included in the refinement | 0.0645 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.979 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 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. |
4321061.cif |
| 179313 | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/10. |
4321061.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4321061.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4321061.cif |
| 18408 | 2011-04-29 | ../uploads/cif-deposit/cod/cif Adding structures of 4321061 via cif-deposit CGI script. |
4321061.cif |
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Users of the data should acknowledge the original authors of the
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