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Information card for entry 4076296
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Coordinates | 4076296.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Carbonyl-eta^5^-Cyclopentadienyl-nitrosyl-[3-diethylamino-2-phenyl-4-ethyl-2- cyclobutenyliden]tungsten |
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Formula | C21 H24 N2 O2 W |
Calculated formula | C21 H24 N2 O2 W |
SMILES | [W]1234([cH]5[cH]1[cH]2[cH]3[cH]45)(=C1C(=C(N(CC)CC)C1C)c1ccccc1)(N=O)C#[O] |
Title of publication | Addition of Ynamines to the Tungsten η1-Vinylidene Complexes (η5-C5H5)(NO)(CO)WCC(H)R |
Authors of publication | Ipaktschi, Junes; Mohseni-Ala, Javad; Dülmer, Ansgar; Steffens, Stefan; Wittenburg, Christian; Heck, Jürgen |
Journal of publication | Organometallics |
Year of publication | 2004 |
Journal volume | 23 |
Journal issue | 21 |
Pages of publication | 4902 |
a | 9.4711 ± 0.0009 Å |
b | 15.0031 ± 0.0013 Å |
c | 15.0217 ± 0.0013 Å |
α | 90° |
β | 107.825 ± 0.01° |
γ | 90° |
Cell volume | 2032.1 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0447 |
Residual factor for significantly intense reflections | 0.0272 |
Weighted residual factors for significantly intense reflections | 0.0559 |
Weighted residual factors for all reflections included in the refinement | 0.0598 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.991 |
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/4076296.html
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Users of the data should acknowledge the original authors of the
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