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Information card for entry 7004417
Preview
| Coordinates | 7004417.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H27 O9 P3 Ru3 |
|---|---|
| Calculated formula | C40 H27 O9 P3 Ru3 |
| SMILES | [Ru]123([C]45[Ru]([P]2(c2occc2)[Ru]([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])[C]3=4OC=C5)(C#[O])(C#[O])C#[O])(C#[O])C#[O] |
| Title of publication | Reactivity of triruthenium thiophyne and furyne clusters: competitive S‒C and P‒C bond cleavage reactions and the generation of highly unsymmetrical alkyne ligands |
| Authors of publication | Uddin, Md. Nazim; Begum, Noorjahan; Hassan, Mohammad R.; Hogarth, Graeme; Kabir, Shariff E.; Miah, Md. Arzu; Nordlander, Ebbe; Tocher, Derek A. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2008 |
| Journal issue | 44 |
| Pages of publication | 6219 - 6230 |
| a | 18.181 ± 0.002 Å |
| b | 11.2861 ± 0.0012 Å |
| c | 19.761 ± 0.002 Å |
| α | 90° |
| β | 102.168 ± 0.002° |
| γ | 90° |
| Cell volume | 3963.7 ± 0.7 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0342 |
| Residual factor for significantly intense reflections | 0.029 |
| Weighted residual factors for significantly intense reflections | 0.0687 |
| Weighted residual factors for all reflections included in the refinement | 0.0707 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179748 (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 7/00/44. |
7004417.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7004417.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7004417.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. | 7004417.cif |
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