Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7017203
Preview
| Coordinates | 7017203.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H24 Cl2 N4 O8 Ru S3 |
|---|---|
| Calculated formula | C19 H24 Cl2 N4 O8 Ru S3 |
| SMILES | [Ru]123([S]4CC[S]1CC[S]2CC4)([n]1ccccc1N=[N]3c1ccccc1)[N]#CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
| Title of publication | Ruthenium nitrosyl complexes with 1,4,7-trithiacyclononane and 2,2'-bipyridine (bpy) or 2-phenylazopyridine (pap) coligands. Electronic structure and reactivity aspects. |
| Authors of publication | De, Prinaka; Maji, Somnath; Dutta Chowdhury, Abhishek; Mobin, Shaikh M.; Kumar Mondal, Tapan; Paretzki, Alexa; Lahiri, Goutam Kumar |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 46 |
| Pages of publication | 12527 - 12539 |
| a | 19.033 ± 0.002 Å |
| b | 9.4724 ± 0.0009 Å |
| c | 15.2998 ± 0.0016 Å |
| α | 90° |
| β | 111.793 ± 0.012° |
| γ | 90° |
| Cell volume | 2561.2 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0936 |
| Residual factor for significantly intense reflections | 0.0501 |
| Weighted residual factors for significantly intense reflections | 0.0899 |
| Weighted residual factors for all reflections included in the refinement | 0.1006 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.941 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179876 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/72. |
7017203.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7017203.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7017203.cif |
| 31270 | 2011-12-13 | ../uploads/cif-deposit/cod/cif Adding structures of 7017200, 7017201, 7017202, 7017203, 7017204 via cif-deposit CGI script. |
7017203.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.