Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1540022
Preview
| Coordinates | 1540022.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H14 B F4 N O2 Ru |
|---|---|
| Calculated formula | C14 H14 B F4 N O2 Ru |
| SMILES | [cH]12[cH]3[cH]4[cH]5[cH]1[Ru]2345(C#[O])(C#[O])[NH2]Cc1ccccc1.[B](F)(F)(F)[F-] |
| Title of publication | Synthesis and Characterization of New (η5-Cyclopentadienyl)dicarbonylruthenium(II) Amine Complexes: Their Application as Homogeneous Catalysts in Styrene Oxidation |
| Authors of publication | Nyawade, Eunice A.; Friedrich, Holger B.; Omondi, Bernard; Mpungose, Philani |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 20 |
| Pages of publication | 4922 |
| a | 10.4488 ± 0.0003 Å |
| b | 9.7788 ± 0.0004 Å |
| c | 31.7901 ± 0.0011 Å |
| α | 90° |
| β | 99.236 ± 0.001° |
| γ | 90° |
| Cell volume | 3206.1 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0259 |
| Residual factor for significantly intense reflections | 0.0238 |
| Weighted residual factors for significantly intense reflections | 0.0546 |
| Weighted residual factors for all reflections included in the refinement | 0.0557 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
1540022.cif |
| 170098 | 2015-11-06 | cif/ Updating files of 1540021, 1540022 Original log message: Adding full bibliography for 1540021--1540022.cif. |
1540022.cif |
| 169157 | 2015-10-15 | cif/ Adding structures of 1540022 via cif-deposit CGI script. |
1540022.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.