Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4070721
Preview
| Coordinates | 4070721.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H74 N4 O18 Ru6 |
|---|---|
| Calculated formula | C72 H74 N4 O18 Ru6 |
| SMILES | c1n(cc[n+]1c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C.c1n(cc[n+]1c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C.C1(=O)[Ru]2345(C#[O])(C#[O])C(=O)[Ru]6782(C#[O])(C#[O])[C]2(=O)[Ru]936(C#[O])(C#[O])(C#[O])[Ru]3672([C]2(=O)[Ru]483(C#[O])(C#[O])(C#[O])[Ru]15962(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 | 10.5169 ± 0.0002 Å |
| b | 14.003 ± 0.0002 Å |
| c | 27.2135 ± 0.0004 Å |
| α | 87.424 ± 0.001° |
| β | 87.675 ± 0.001° |
| γ | 86 ± 0.001° |
| Cell volume | 3991.06 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0637 |
| Residual factor for significantly intense reflections | 0.056 |
| Weighted residual factors for significantly intense reflections | 0.1733 |
| Weighted residual factors for all reflections included in the refinement | 0.1819 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| 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. |
4070721.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070721.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070721.cif |
| 42658 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070719, 4070720, 4070721, 4070722, 4070723 via cif-deposit CGI script. |
4070721.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.