Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4105227
Preview
| Coordinates | 4105227.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H41 F6 N O Os P2 |
|---|---|
| Calculated formula | C26 H41 F6 N O Os P2 |
| SMILES | [Os]12345([P](C(C)C)(C(C)C)C(C)C)([n]6c(C7C=1CC7)cccc6)[cH]1[cH]2[cH]3[cH]4[cH]51.[P](F)(F)(F)(F)(F)[F-].O=C(C)C |
| Title of publication | Formation of Osmium- and Ruthenium-Cyclobutylidene Complexes by Ring Expansion of Alkylidenecyclopropanes |
| Authors of publication | Ruth Castro-Rodrigo; Miguel A. Esteruelas; Sara Fuertes; Ana M. López; Fernando López; José L. Mascareñas; Silvia Mozo; Enrique Oñate; Lucía Saya; Lara Villarino |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2009 |
| Journal volume | 131 |
| Pages of publication | 15572 - 15573 |
| a | 9.1653 ± 0.0011 Å |
| b | 11.1937 ± 0.0013 Å |
| c | 14.2705 ± 0.0017 Å |
| α | 78.851 ± 0.002° |
| β | 89.57 ± 0.002° |
| γ | 89.34 ± 0.002° |
| Cell volume | 1436.3 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0453 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for significantly intense reflections | 0.0759 |
| Weighted residual factors for all reflections included in the refinement | 0.0781 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178798 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/52. |
4105227.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4105227.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4105227.cif |
| 30421 | 2011-11-12 | ../uploads/cif-deposit/cod/cif Adding structures of 4105227 via cif-deposit CGI script. |
4105227.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.