Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7005945
Preview
| Coordinates | 7005945.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | fac-(1,4,7-tritiacyclononane)-(dimethylsulfoxide,S)-ruthenium(II)-(mu-oxalate)- fac-tris(dimethylsulfoxide,S)-(triflate,O)-ruthenium(II) triflate chloroform solvate |
|---|---|
| Formula | C18.5 H36.5 Cl1.5 F6 O14 Ru2 S9 |
| Calculated formula | C18.5 H36.5 Cl1.5 F6 O14 Ru2 S9 |
| Title of publication | Half-sandwich RuII-[9]aneS3 complexes with dicarboxylate ligands: synthesis, characterization and chemical behavior. |
| Authors of publication | Bratsos, Ioannis; Birarda, Giovanni; Jedner, Stephanie; Zangrando, Ennio; Alessio, Enzo |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2007 |
| Journal issue | 36 |
| Pages of publication | 4048 - 4058 |
| a | 16.558 ± 0.004 Å |
| b | 41.174 ± 0.007 Å |
| c | 12.341 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8414 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.1004 |
| Residual factor for significantly intense reflections | 0.0596 |
| Weighted residual factors for significantly intense reflections | 0.1681 |
| Weighted residual factors for all reflections included in the refinement | 0.1805 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.879 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7005945.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7005945.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7005945.cif |
| 1186 | 2010-06-03 | Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing. | 7005945.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.