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Information card for entry 4066695
Preview
| Coordinates | 4066695.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H20 N2 O18 Ru6 |
|---|---|
| Calculated formula | C32 H20 N2 O18 Ru6 |
| SMILES | c1cc(cc[n+]1C)C.C[n+]1ccc(C)cc1.[C]12(=O)[Ru]345(C#[O])(C#[O])(C#[O])[Ru]6789(C(=O)[Ru]%10%1159([C]5(=O)[Ru]97%10(C#[O])(C#[O])(C#[O])[Ru]138(C6=O)(C#[O])(C#[O])[Ru]24%1159(C#[O])C#[O])(C#[O])C#[O])(C#[O])C#[O] |
| Title of publication | Trapping of Pyrid-2-ylidenes by [Ru3(CO)12]: Orthometalated Pyrid-2-ylidenes in Triruthenium Clusters |
| Authors of publication | Cabeza, Javier A.; del Río, Ignacio; Pérez-Carreño, Enrique; Sánchez-Vega, M. Gabriela; Vázquez-García, Digna |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 20 |
| Pages of publication | 4464 |
| a | 11.7037 ± 0.0013 Å |
| b | 12.406 ± 0.002 Å |
| c | 15.407 ± 0.007 Å |
| α | 75 ± 0.03° |
| β | 79.79 ± 0.02° |
| γ | 62.456 ± 0.014° |
| Cell volume | 1911.6 ± 1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0397 |
| Residual factor for significantly intense reflections | 0.0342 |
| Weighted residual factors for significantly intense reflections | 0.0926 |
| Weighted residual factors for all reflections included in the refinement | 0.112 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178558 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/66. |
4066695.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066695.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066695.cif |
| 33962 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066694, 4066695, 4066696 via cif-deposit CGI script. |
4066695.cif |
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Users of the data should acknowledge the original authors of the
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