Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4068811
Preview
| Coordinates | 4068811.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C50 H40 N2 O9 Ru3 Sn2 |
|---|---|
| Calculated formula | C50 H40 N2 O9 Ru3 Sn2 |
| SMILES | C1(N(C=CN1C)C)=[Ru](C#[O])(C#[O])(C#[O])[H][Ru](C#[O])(C#[O])(C#[O])([H][Ru](C#[O])(C#[O])(C#[O])[Sn](c1ccccc1)(c1ccccc1)c1ccccc1)[Sn](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Reactivity of Protons, Tertiary Stannanes, and Alkynes with a Triruthenium Dihydrido Cluster Containing a Face-Capping NHC Ligand |
| Authors of publication | Cabeza, Javier A.; del Río, Ignacio; Fernández-Colinas, José M.; Sánchez-Vega, M. Gabriela |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 4 |
| Pages of publication | 1243 |
| a | 19.9871 ± 0.0005 Å |
| b | 9.5179 ± 0.0003 Å |
| c | 28.4447 ± 0.0007 Å |
| α | 90° |
| β | 110.216 ± 0.001° |
| γ | 90° |
| Cell volume | 5077.8 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1317 |
| Residual factor for significantly intense reflections | 0.0546 |
| Weighted residual factors for significantly intense reflections | 0.1166 |
| Weighted residual factors for all reflections included in the refinement | 0.1587 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178578 (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 4/06/88. |
4068811.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4068811.cif |
| 39985 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4068811, 4068812 via cif-deposit CGI script. |
4068811.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.