Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7016559
Preview
| Coordinates | 7016559.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H47 Cl2 O10 P W2 |
|---|---|
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179869 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/65. |
7016559.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7016559.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7016559.cif |
| 27458 | 2011-10-03 | ../uploads/cif-deposit/cod/cif Adding structures of 7016559, 7016560, 7016561, 7016562 via cif-deposit CGI script. |
7016559.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.