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Information card for entry 7009633
Preview
| Coordinates | 7009633.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H6 O12 Ru3 W |
|---|---|
| Calculated formula | C21 H5 O12 Ru3 W |
| SMILES | [Ru]12([Ru]34([Ru]51(C#[O])(C#[O])(C#[O])[C]23=[C]45C#C[W]1234(C#[O])(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45)(C#[O])(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 | 12.894 ± 0.009 Å |
| b | 11.513 ± 0.01 Å |
| c | 10.121 ± 0.003 Å |
| α | 101.31 ± 0.05° |
| β | 108.93 ± 0.04° |
| γ | 104.19 ± 0.06° |
| Cell volume | 1314.1 ± 1.7 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.062 |
| Residual factor for significantly intense reflections | 0.056 |
| Weighted residual factors for all reflections | 0.077 |
| Weighted residual factors for all reflections included in the refinement | 0.076 |
| Goodness-of-fit parameter for all reflections | 2.1 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.13 |
| 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. |
7009633.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7009633.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7009633.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7009633.cif |
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Users of the data should acknowledge the original authors of the
structural data.