Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4341238
Preview
| Coordinates | 4341238.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | hexacarbonylhydrido(μ-4H-cyclopenta[2,1-b:3,4-b']dithiophene-4-carboxylato- κO1:κO2)(μ-3-methylpyridazine-κN1:κN2)dirhenium |
|---|---|
| Formula | C21 H12 N2 O8 Re2 S2 |
| Calculated formula | C21 H12 N2 O8 Re2 S2 |
| Title of publication | Dinuclear rhenium complexes as redox-active pendants in a novel electrodeposited polycyclopentadithiophene material. |
| Authors of publication | Procopio, Elsa Quartapelle; Bonometti, Valentina; Panigati, Monica; Mercandelli, Pierluigi; Mussini, Patrizia R.; Benincori, Tiziana; D'Alfonso, Giuseppe; Sannicolò, Francesco |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 20 |
| Pages of publication | 11242 - 11251 |
| a | 10.625 ± 0.002 Å |
| b | 20.994 ± 0.002 Å |
| c | 11.677 ± 0.002 Å |
| α | 90° |
| β | 105 ± 0.02° |
| γ | 90° |
| Cell volume | 2515.9 ± 0.7 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0784 |
| Residual factor for significantly intense reflections | 0.0429 |
| Weighted residual factors for significantly intense reflections | 0.0646 |
| Weighted residual factors for all reflections included in the refinement | 0.0714 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.171 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179515 (current) | 2016-03-23 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/12. |
4341238.cif |
| 126897 | 2014-11-12 | cif/ Updating files of 4341238 Original log message: Adding full bibliography for 4341238.cif. |
4341238.cif |
| 125006 | 2014-10-07 | cif/ Adding structures of 4341238 via cif-deposit CGI script. |
4341238.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.