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Information card for entry 7239017
Preview
| Coordinates | 7239017.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C71 H47 Cl2 N17 O8 Ru2 |
|---|---|
| Calculated formula | C71 H47 Cl2 N17 O8 Ru2 |
| Title of publication | Synthesis, structural characterization and anion-, cation- and solvent-induced tuning of photophysical properties of a bimetallic Ru(ii) complex: combined experimental and DFT/TDDFT investigation |
| Authors of publication | Saha, Debasish; Das, Shyamal; Karmakar, Srikanta; Dutta, Supriya; Baitalik, Sujoy |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 38 |
| Pages of publication | 17314 |
| a | 25.197 ± 0.005 Å |
| b | 12.849 ± 0.005 Å |
| c | 25.351 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 105.04 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 7926 ± 4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1312 |
| Residual factor for significantly intense reflections | 0.0779 |
| Weighted residual factors for significantly intense reflections | 0.1885 |
| Weighted residual factors for all reflections included in the refinement | 0.2084 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7239017.cif |
| 244508 | 2019-11-28 | cif/ Adding structures of 7239017 via cif-deposit CGI script. |
7239017.cif |
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Users of the data should acknowledge the original authors of the
structural data.