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Information card for entry 4066696
Preview
| Coordinates | 4066696.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H20 N2 O15 Ru5 |
|---|---|
| Calculated formula | C28 H20 N2 O15 Ru5 |
| SMILES | c1cc(cc[n+]1C)C.C[n+]1ccc(C)cc1.[C]12(=O)[Ru]3456(C#[O])(C#[O])C(=O)[Ru]7894([C]4(=O)[Ru]%10%11%128(C(=O)[Ru]15%11(C#[O])(C#[O])([O]37%10)[Ru]2694%12(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 | 9.3856 ± 0.0003 Å |
| b | 39.4723 ± 0.0014 Å |
| c | 9.4818 ± 0.0002 Å |
| α | 90° |
| β | 100.59 ± 0.002° |
| γ | 90° |
| Cell volume | 3452.9 ± 0.18 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1094 |
| Residual factor for significantly intense reflections | 0.0573 |
| Weighted residual factors for significantly intense reflections | 0.1161 |
| Weighted residual factors for all reflections included in the refinement | 0.1362 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| 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. |
4066696.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066696.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066696.cif |
| 33962 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066694, 4066695, 4066696 via cif-deposit CGI script. |
4066696.cif |
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