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Information card for entry 7026531
Preview
| Coordinates | 7026531.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Bis(η^5^-pentamethylcyclopentadienyl)cobalt(III) tetrachlorobis(methydiphenylphosphine)tungstate(III) |
|---|---|
| Formula | C46 H56 Cl4 Co P2 W |
| Calculated formula | C46 H56 Cl4 Co P2 W |
| SMILES | [W](Cl)([P](c1ccccc1)(c1ccccc1)C)([P](c1ccccc1)(c1ccccc1)C)(Cl)(Cl)Cl.[c]12([c]3([c]4(C)[Co]5678913([c]1([c]5([c]6([c]7([c]91C)C)C)C)C)[c]4([c]28C)C)C)C |
| Title of publication | A tungsten-mediated closed cycle of reactivity for the reduction of CO(2) to CO. |
| Authors of publication | Jayarathne, Upul; Chandrasekaran, Perumalreddy; Jacobsen, Heiko; Mague, Joel T.; Donahue, James P. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2010 |
| Journal volume | 39 |
| Journal issue | 40 |
| Pages of publication | 9662 - 9671 |
| a | 9.5995 ± 0.0015 Å |
| b | 11.0472 ± 0.0018 Å |
| c | 21.228 ± 0.003 Å |
| α | 90° |
| β | 93.333 ± 0.002° |
| γ | 90° |
| Cell volume | 2247.4 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 all reflections | 0.0253 |
| Residual factor for significantly intense reflections | 0.0196 |
| Weighted residual factors for significantly intense reflections | 0.0442 |
| Weighted residual factors for all reflections included in the refinement | 0.047 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179971 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/65. |
7026531.cif |
| 93523 | 2014-01-13 | cif/ Adding structures of 7026522, 7026523, 7026524, 7026525, 7026526, 7026527, 7026528, 7026529, 7026530, 7026531, 7026532, 7026533 via cif-deposit CGI script. |
7026531.cif |
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Users of the data should acknowledge the original authors of the
structural data.