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Information card for entry 7026530
Preview
Coordinates | 7026530.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Bis(η^5^-pentamethylcyclopentadienyl)cobalt(III) trans- tetrachlorobis(methyldiphenylphosphine)tungstate(III) |
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Formula | C46 H56 Cl4 Co P2 W |
Calculated formula | C46 H56 Cl4 Co P2 W |
SMILES | c1(ccccc1)[P]([W](Cl)(Cl)([P](c1ccccc1)(c1ccccc1)C)(Cl)Cl)(C)c1ccccc1.[Co]12345678([c]9([c]7([c]5([c]3([c]19C)C)C)C)C)[c]1([c]8([c]6([c]4([c]21C)C)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 | 27.227 ± 0.01 Å |
b | 11.087 ± 0.004 Å |
c | 17.943 ± 0.006 Å |
α | 90° |
β | 125.829 ± 0.004° |
γ | 90° |
Cell volume | 4391 ± 3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.043 |
Residual factor for significantly intense reflections | 0.0414 |
Weighted residual factors for significantly intense reflections | 0.1039 |
Weighted residual factors for all reflections included in the refinement | 0.1046 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.34 |
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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