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Information card for entry 7009632
Preview
| Coordinates | 7009632.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H28 O10 P2 Ru3 W |
|---|---|
| Calculated formula | C44 H28 O10 P2 Ru3 W |
| SMILES | [Ru]123([Ru]456([Ru]71(C#[O])(C#[O])([C]24=[C]57C#C[W]1245(C#[O])(C#[O])(C#[O])[cH]7[cH]1[cH]2[cH]4[cH]57)([P](C[P]3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[H]6)(C#[O])(C#[O])C#[O])(C#[O])C#[O] |
| Title of publication | Syntheses and reactions of some cluster complexes containing C4 ligands with iron, ruthenium and cobalt carbonyls |
| Authors of publication | Bruce, Michael I.; Low, Paul J.; Zaitseva, Natasha N.; Kahlal, Samia; Halet, Jean-François; Skelton, Brian W.; White, Allan H. |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2000 |
| Journal issue | 17 |
| Pages of publication | 2939 |
| a | 16.066 ± 0.013 Å |
| b | 15.25 ± 0.011 Å |
| c | 18.27 ± 0.02 Å |
| α | 90° |
| β | 95.15 ± 0.08° |
| γ | 90° |
| Cell volume | 4458 ± 7 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.064 |
| Residual factor for significantly intense reflections | 0.046 |
| Weighted residual factors for all reflections | 0.052 |
| Weighted residual factors for all reflections included in the refinement | 0.049 |
| Goodness-of-fit parameter for all reflections | 1.856 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7009632.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7009632.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7009632.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7009632.cif |
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Users of the data should acknowledge the original authors of the
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