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Information card for entry 4070722
Preview
| Coordinates | 4070722.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H24 N2 O11 Ru3 |
|---|---|
| Calculated formula | C32 H24 N2 O11 Ru3 |
| SMILES | C1(N(C=CN1c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C)=[Ru]12(C#[O])(C#[O])(C#[O])C(=O)[Ru]1(C#[O])(C#[O])(C#[O])[Ru]2(C#[O])(C#[O])(C#[O])C#[O] |
| Title of publication | Reactivity of N-Heterocyclic Carbenes with [Ru3(CO)12] and [Os3(CO)12]. Influence of Ligand Volume and Electronic Effects |
| Authors of publication | Cabeza, Javier A.; del Río, Ignacio; Miguel, Daniel; Pérez-Carreño, Enrique; Sánchez-Vega, M. Gabriela |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 2 |
| Pages of publication | 211 |
| a | 13.6171 ± 0.0001 Å |
| b | 15.1982 ± 0.00009 Å |
| c | 16.7505 ± 0.0001 Å |
| α | 90° |
| β | 90.604 ± 0.001° |
| γ | 90° |
| Cell volume | 3466.41 ± 0.04 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 | 0.0383 |
| Residual factor for significantly intense reflections | 0.0343 |
| Weighted residual factors for significantly intense reflections | 0.0975 |
| Weighted residual factors for all reflections included in the refinement | 0.1061 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178596 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/07. |
4070722.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070722.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070722.cif |
| 42658 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070719, 4070720, 4070721, 4070722, 4070723 via cif-deposit CGI script. |
4070722.cif |
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