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Information card for entry 7003629
Preview
| Coordinates | 7003629.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H34 Co3 O6 P3 |
|---|---|
| Calculated formula | C31 H34 Co3 O6 P3 |
| SMILES | [Co]1234([Co]56([Co]1([P](C)(C)c1ccccc1)(C5=O)(C3=O)(C#[O])C46)([P](C)(C)c1ccccc1)(C2=O)C#[O])([P](C)(C)c1ccccc1)C#[O] |
| Title of publication | Chiral and achiral phosphine derivatives of alkylidyne tricobalt carbonyl clusters as catalyst precursors for (asymmetric) inter- and intramolecular Pauson‒Khand reactions |
| Authors of publication | Moberg, Viktor; Mottalib, M. Abdul; Sauer, Désirée; Poplavskaya, Yulia; Craig, Donald C.; Colbran, Stephen B.; Deeming, Antony J.; Nordlander, Ebbe |
| Journal of publication | Dalton Transactions |
| Year of publication | 2008 |
| Journal issue | 18 |
| Pages of publication | 2442 - 2453 |
| a | 10.1219 ± 0.0018 Å |
| b | 10.4665 ± 0.0019 Å |
| c | 10.5068 ± 0.0019 Å |
| α | 115.346 ± 0.003° |
| β | 115.601 ± 0.003° |
| γ | 94.383 ± 0.003° |
| Cell volume | 859.3 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0572 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for significantly intense reflections | 0.0802 |
| Weighted residual factors for all reflections included in the refinement | 0.0884 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.986 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179740 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/36. |
7003629.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7003629.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7003629.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7003629.cif |
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