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Information card for entry 2229162
Preview
| Coordinates | 2229162.cif |
|---|---|
| Structure factors | 2229162.hkl |
| Original IUCr paper | HTML |
| Chemical name | [μ-Bis(diphenylarsanyl)methane-1:2κ^2^<i>As</i>:<i>As</i>']nonacarbonyl- 1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-[tris(biphenyl-4-yl)arsane- 3κ<i>As</i>]-<i>triangulo</i>-triruthenium(0) |
|---|---|
| Formula | C70 H49 As3 O9 Ru3 |
| Calculated formula | C70 H49 As3 O9 Ru3 |
| SMILES | [Ru]12([Ru]([Ru]1([As](c1ccc(cc1)c1ccccc1)(c1ccc(cc1)c1ccccc1)c1ccc(cc1)c1ccccc1)(C#[O])(C#[O])C#[O])([As](C[As]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O] |
| Title of publication | [μ-Bis(diphenylarsanyl)methane-1:2κ^2^<i>As</i>:<i>As</i>']nonacarbonyl-1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-[tris(biphenyl-4-yl)arsane-3κ<i>As</i>]-<i>triangulo</i>-triruthenium(0) |
| Authors of publication | bin Shawkataly, Omar; Khan, Imthyaz Ahmed; Sirat, Siti Syaida; Yeap, Chin Sing; Fun, Hoong-Kun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 2 |
| Pages of publication | m214 - m215 |
| a | 10.906 ± 0.004 Å |
| b | 12.706 ± 0.004 Å |
| c | 22.467 ± 0.008 Å |
| α | 81.249 ± 0.007° |
| β | 82.529 ± 0.007° |
| γ | 79.301 ± 0.007° |
| Cell volume | 3006.9 ± 1.8 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 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 | 0.0538 |
| Residual factor for significantly intense reflections | 0.0367 |
| Weighted residual factors for significantly intense reflections | 0.1004 |
| Weighted residual factors for all reflections included in the refinement | 0.1254 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2229162.html
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Users of the data should acknowledge the original authors of the
structural data.