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Information card for entry 7016559
Preview
Coordinates | 7016559.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H47 Cl2 O10 P W2 |
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Calculated formula | C37 H47 Cl2 O10 P W2 |
SMILES | [W]123456([P](C7CCCCC7)(C7CCCCC7)[W]789%10%11(C#[O])(C(C(=C1C(=O)OC)C(=O)OC)(C(=[O]2)OC)C8C(=O)OC)[cH]1[cH]9[cH]%10[cH]%11[cH]71)(C#[O])[cH]1[cH]3[cH]6[cH]5[cH]41.C(Cl)Cl |
Title of publication | C-X bond formation and cleavage in the reactions of the ditungsten hydride complex [W(2)(η(5)-C(5)H(5))(2)(H)(μ-PCy(2))(CO)(2)] with small molecules having multiple C-X bonds (X = C, N, O). |
Authors of publication | Alvarez, M. Angeles; García, M Esther; Ruiz, Miguel A.; Vega, M. Fernanda |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 33 |
Pages of publication | 8294 - 8297 |
a | 9.8445 ± 0.0004 Å |
b | 9.9405 ± 0.0005 Å |
c | 20.4221 ± 0.0009 Å |
α | 76.143 ± 0.003° |
β | 84.799 ± 0.003° |
γ | 76.694 ± 0.003° |
Cell volume | 1886.9 ± 0.15 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1085 |
Residual factor for significantly intense reflections | 0.0585 |
Weighted residual factors for significantly intense reflections | 0.1007 |
Weighted residual factors for all reflections included in the refinement | 0.1151 |
Goodness-of-fit parameter for all reflections included in the refinement | 1 |
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/7016559.html
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