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Information card for entry 7026531
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Coordinates | 7026531.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Bis(η^5^-pentamethylcyclopentadienyl)cobalt(III) tetrachlorobis(methydiphenylphosphine)tungstate(III) |
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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 |
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Users of the data should acknowledge the original authors of the
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