Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7036332
Preview
| Coordinates | 7036332.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | trans-NO2 |
|---|---|
| Chemical name | trans-NO2 |
| Formula | C38 H30 F6 N6 O2 P2 Ru |
| Calculated formula | C38 H30 F6 N6 O2 P2 Ru |
| SMILES | [n]12[Ru]34([n]5c(c2cccc1)cccc5c1[n]3cccc1)(N(=O)=O)[P](c1cccc2ccc[n]4c12)(c1ccccc1)c1ccccc1.C(#N)C.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Syntheses and properties of phosphine-substituted ruthenium(ii) polypyridine complexes with nitrogen oxides. |
| Authors of publication | Nakamura, Go; Kondo, Mio; Crisalli, Meredith; Lee, Sze Koon; Shibata, Akane; Ford, Peter C.; Masaoka, Shigeyuki |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 39 |
| Pages of publication | 17189 - 17200 |
| a | 12.1909 ± 0.0017 Å |
| b | 11.9003 ± 0.0017 Å |
| c | 25.26 ± 0.004 Å |
| α | 90° |
| β | 99.579 ± 0.003° |
| γ | 90° |
| Cell volume | 3613.5 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0768 |
| Residual factor for significantly intense reflections | 0.0596 |
| Weighted residual factors for significantly intense reflections | 0.156 |
| Weighted residual factors for all reflections included in the refinement | 0.1678 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| 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. |
7036332.cif |
| 161246 | 2015-10-09 | cif/ Updating files of 7036332, 7036333, 7036334 Original log message: Adding full bibliography for 7036332--7036334.cif. |
7036332.cif |
| 153782 | 2015-08-29 | cif/ Adding structures of 7036332, 7036333, 7036334 via cif-deposit CGI script. |
7036332.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.