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Information card for entry 7114676
Preview
| Coordinates | 7114676.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H39 Cl O4 P2 W |
|---|---|
| Calculated formula | C35 H39 Cl O4 P2 W |
| SMILES | [W]1([P](=C(Cl)[P]1(c1ccccc1)c1ccccc1)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(C#[O])(C#[O])(C#[O])C#[O] |
| Title of publication | Preparation of carbonyltungsten(0) complexes of 2-chloro-3,3-diphenyl-1-(2,4,6-tri-tert-butylphenyl)-1,3-diphosphapropene |
| Authors of publication | Ito, Shigekazu; Yoshifuji, Masaaki |
| Journal of publication | Chemical Communications |
| Year of publication | 2001 |
| Journal issue | 13 |
| Pages of publication | 1208 |
| a | 16.687 ± 0.002 Å |
| b | 21.984 ± 0.003 Å |
| c | 9.31 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3415.3 ± 1.3 Å3 |
| Cell temperature | 125.2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.0489 |
| Weighted residual factors for all reflections included in the refinement | 0.11 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.274 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7114676.cif |
| 118278 | 2014-06-29 | cif/ Adding structures of 7114676, 7114677 via cif-deposit CGI script. |
7114676.cif |
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Users of the data should acknowledge the original authors of the
structural data.