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Information card for entry 4068956
Preview
| Coordinates | 4068956.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H10 N2 O17 Ru7 |
|---|---|
| Calculated formula | C27 H10 N2 O17 Ru7 |
| SMILES | C12N(C=CN1C)[c]13[c]45[cH]6[cH]7[cH]8[cH]1[Ru]19%10%1135678[C]356=[O][Ru]76(C#[O])(C#[O])(C#[O])[Ru]68%12%1393(C(=O)[Ru]16(C#[O])(C#[O])([Ru]=24(C#[O])(C#[O])C#[O])[Ru]12%108(C(=O)[Ru]%1157%121(C#[O])(C#[O])[H]%132)(C#[O])C#[O])(C#[O])C#[O] |
| Title of publication | Reactivity of [Ru4(μ-H)4(CO)12] with N-Heterocyclic Carbenes |
| Authors of publication | Cabeza, Javier A.; del Río, Ignacio; Fernández-Colinas, José M.; Pérez-Carreño, Enrique; Sánchez-Vega, M. Gabriela; Vázquez-García, Digna |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 6 |
| Pages of publication | 1832 |
| a | 16.8183 ± 0.0005 Å |
| b | 13.2795 ± 0.0005 Å |
| c | 19.0421 ± 0.0006 Å |
| α | 90° |
| β | 108.59 ± 0.003° |
| γ | 90° |
| Cell volume | 4030.9 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1257 |
| Residual factor for significantly intense reflections | 0.0836 |
| Weighted residual factors for significantly intense reflections | 0.2127 |
| Weighted residual factors for all reflections included in the refinement | 0.2478 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178579 (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 4/06/89. |
4068956.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4068956.cif |
| 40060 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4068955, 4068956 via cif-deposit CGI script. |
4068956.cif |
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