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Information card for entry 4076295
Preview
Coordinates | 4076295.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (2-(Diethylamino)-3-methyl-5-tert.-butyl)-1-(carbonyl-nitrosyl- cyclopentadienyltungsta)-1,3,4-pentatrien |
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Formula | C19 H28 N2 O2 W |
Calculated formula | C19 H28 N2 O2 W |
SMILES | [W]1234([cH]5[cH]4[cH]3[cH]2[cH]15)(N=O)(C#[O])=C(N(CC)CC)C(=C=CC(C)(C)C)C |
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 | 7.8384 ± 0.0008 Å |
b | 14.0307 ± 0.0017 Å |
c | 18.567 ± 0.002 Å |
α | 90° |
β | 98.593 ± 0.013° |
γ | 90° |
Cell volume | 2019 ± 0.4 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/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0322 |
Residual factor for significantly intense reflections | 0.0246 |
Weighted residual factors for significantly intense reflections | 0.0545 |
Weighted residual factors for all reflections included in the refinement | 0.0658 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.114 |
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/4076295.html
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