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Information card for entry 4321058
Preview
| Coordinates | 4321058.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | [WO2(OSiPh3)2(Me4phen)] |
|---|---|
| Formula | C52 H46 N2 O4 Si2 W |
| Calculated formula | C52 H46 N2 O4 Si2 W |
| SMILES | O=[W]1([n]2cc(c(c3c2c2c(c(c(c[n]12)C)C)cc3)C)C)(=O)(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1 |
| 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 | 27.119 ± 0.004 Å |
| b | 10.0167 ± 0.0013 Å |
| c | 16.5471 ± 0.0013 Å |
| α | 90° |
| β | 96.649 ± 0.011° |
| γ | 90° |
| Cell volume | 4464.7 ± 0.9 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0354 |
| Residual factor for significantly intense reflections | 0.0309 |
| Weighted residual factors for significantly intense reflections | 0.0767 |
| Weighted residual factors for all reflections included in the refinement | 0.0799 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301838 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure. |
4321058.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. |
4321058.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4321058.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4321058.cif |
| 18405 | 2011-04-29 | ../uploads/cif-deposit/cod/cif Adding structures of 4321058 via cif-deposit CGI script. |
4321058.cif |
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