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Information card for entry 7026522
Preview
Coordinates | 7026522.cif |
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Original paper (by DOI) | HTML |
Chemical name | trans-Dichlorotetrakis(methyldiphenylphosphine) tungsten(II) toluene solvate |
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Formula | C59 H60 Cl2 P4 W |
Calculated formula | C59 H60 Cl2 P4 W |
SMILES | [W](Cl)(Cl)([P](c1ccccc1)(c1ccccc1)C)([P](c1ccccc1)(c1ccccc1)C)([P](c1ccccc1)(c1ccccc1)C)[P](c1ccccc1)(c1ccccc1)C.c1(ccccc1)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 | 11.4069 ± 0.0008 Å |
b | 14.3468 ± 0.0009 Å |
c | 17.0921 ± 0.0011 Å |
α | 76.523 ± 0.001° |
β | 71.996 ± 0.001° |
γ | 84.321 ± 0.001° |
Cell volume | 2585.9 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.021 |
Residual factor for significantly intense reflections | 0.0194 |
Weighted residual factors for significantly intense reflections | 0.0466 |
Weighted residual factors for all reflections included in the refinement | 0.0474 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7026522.html
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