Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4083295
Preview
| Coordinates | 4083295.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H26 B Br Cl4 F4 N4 Ru |
|---|---|
| Calculated formula | C25 H26 B Br Cl4 F4 N4 Ru |
| SMILES | [Ru]123456(c7c(c8cccc[n]18)[n+](nn7c1ccc(Br)cc1)C)(Cl)[c]1(C(C)C)[cH]4[cH]5[c]3([cH]2[cH]61)C.ClC(Cl)Cl.[B](F)(F)(F)[F-] |
| Title of publication | Exploring the Scope of Pyridyl- and Picolyl-Functionalized 1,2,3-Triazol-5-ylidenes in Bidentate Coordination to Ruthenium(II) Cymene Chloride Complexes |
| Authors of publication | Bolje, Aljoša; Hohloch, Stephan; Urankar, Damijana; Pevec, Andrej; Gazvoda, Martin; Sarkar, Biprajit; Košmrlj, Janez |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 10 |
| Pages of publication | 2588 |
| a | 9.2541 ± 0.0019 Å |
| b | 16.239 ± 0.003 Å |
| c | 20.019 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3008.4 ± 1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0273 |
| Residual factor for significantly intense reflections | 0.027 |
| Weighted residual factors for significantly intense reflections | 0.07 |
| Weighted residual factors for all reflections included in the refinement | 0.0703 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178721 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/32. |
4083295.cif |
| 115872 | 2014-06-05 | cif/ Updating files of 4083294, 4083295, 4083296 Original log message: Adding full bibliography for 4083294--4083296.cif. |
4083295.cif |
| 113811 | 2014-05-15 | cif/ Adding structures of 4083294, 4083295, 4083296 via cif-deposit CGI script. |
4083295.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.