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Information card for entry 4106768
Preview
Coordinates | 4106768.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H29 N2 O2 W |
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Calculated formula | C28 H29 N2 O2 W |
SMILES | [W]1234(=C5N(C=CN5c5c(cc(cc5C)C)C)c5c(cc(cc5C)C)C)([cH]5[cH]1[cH]2[cH]3[cH]45)(C#[O])C#[O] |
Title of publication | Comproportionation of Cationic and Anionic Tungsten Complexes Having an N-Heterocyclic Carbene Ligand To Give the Isolable 17-Electron Tungsten Radical CpW(CO)2(IMes). |
Authors of publication | John A. S. Roberts; James A. Franz; Edwin F. van der Eide; Eric D. Walter; Jeffrey L. Petersen; Daniel L. DuBois; R. Morris Bullock |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 14593 - 14603 |
a | 8.4766 ± 0.0005 Å |
b | 16.4875 ± 0.0011 Å |
c | 18.8928 ± 0.0013 Å |
α | 77.913 ± 0.001° |
β | 81.191 ± 0.001° |
γ | 86.769 ± 0.001° |
Cell volume | 2550.6 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0401 |
Residual factor for significantly intense reflections | 0.0274 |
Weighted residual factors for significantly intense reflections | 0.0633 |
Weighted residual factors for all reflections included in the refinement | 0.0717 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
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/4106768.html
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Users of the data should acknowledge the original authors of the
structural data.