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Information card for entry 7038506
Preview
Coordinates | 7038506.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H41 O6 P W2 |
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Calculated formula | C32 H41 O6 P W2 |
SMILES | [W]1234567([P](C8CCCCC8)(C8CCCCC8)[W]89%10%11%12(C#[O])([CH]2=[C]1(C3C8C(=O)OC)C(=O)OC)[cH]1[cH]%10[cH]%11[cH]%12[cH]91)(C#[O])[cH]1[cH]5[cH]6[cH]7[cH]41 |
Title of publication | Insertion and C-C coupling processes in reactions of the unsaturated hydride [W2Cp2(H)(μ-PCy2)(CO)2] with alkynes. |
Authors of publication | Alvarez, M. Angeles; García, M Esther; García-Vivó, Daniel; Ruiz, Miguel A.; Vega, M. Fernanda |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 12 |
Pages of publication | 5274 - 5289 |
a | 11.744 ± 0.005 Å |
b | 15.106 ± 0.005 Å |
c | 19.242 ± 0.005 Å |
α | 103.203 ± 0.005° |
β | 105.118 ± 0.005° |
γ | 93.143 ± 0.005° |
Cell volume | 3184.5 ± 1.9 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 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 | 0.0794 |
Residual factor for significantly intense reflections | 0.0625 |
Weighted residual factors for significantly intense reflections | 0.1648 |
Weighted residual factors for all reflections included in the refinement | 0.1759 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
Diffraction radiation probe | x-ray |
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/7038506.html
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Users of the data should acknowledge the original authors of the
structural data.