Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4331979
Preview
| Coordinates | 4331979.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C54.8 H57.2 Br2 F12 N10.4 P2 Ru |
|---|---|
| Calculated formula | C54.8 H57.2 Br2 F12 N10.4 P2 Ru |
| Title of publication | A Novel Heteroditopic Terpyridine-Pincer Ligand as Building Block for Mono- and Heterometallic Pd(II) and Ru(II) Complexes |
| Authors of publication | Gagliardo, Marcella; Rodríguez, Gema; Dam, Henk H.; Lutz, Martin; Spek, Anthony L.; Havenith, Remco W. A.; Coppo, Paolo; De Cola, Luisa; Hartl, František; van Klink, Gerard P. M.; van Koten, Gerard |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2006 |
| Journal volume | 45 |
| Journal issue | 5 |
| Pages of publication | 2143 - 2155 |
| a | 11.1057 ± 0.0002 Å |
| b | 14.4557 ± 0.0002 Å |
| c | 20.2558 ± 0.0004 Å |
| α | 88.9444 ± 0.0006° |
| β | 84.747 ± 0.0005° |
| γ | 68.7656 ± 0.0006° |
| Cell volume | 3017.99 ± 0.09 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.077 |
| Residual factor for significantly intense reflections | 0.0626 |
| Weighted residual factors for significantly intense reflections | 0.1736 |
| Weighted residual factors for all reflections included in the refinement | 0.1847 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4331979.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4331979.cif |
| 98007 | 2014-01-29 | cif/ Adding structures of 4331978, 4331979 via cif-deposit CGI script. |
4331979.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.