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Information card for entry 4335162
Preview
| Coordinates | 4335162.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C50 H32 Cl2 N8 O8 Ru |
|---|---|
| Calculated formula | C50 H32 Cl2 N8 O8 Ru |
| SMILES | [Ru]1234([n]5c(c6[n]1cccc6)cc(c1ccc6c7c8c(cccc8ccc17)cc6)cc5c1[n]2cccc1)[n]1c([nH]c2ccccc12)c1[n]4c(ccc1)c1[nH]c2c([n]31)cccc2.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
| Title of publication | Synthesis, Structural Characterization, and Photophysical, Spectroelectrochemical, and Anion-Sensing Studies of Heteroleptic Ruthenium(II) Complexes Derived from 4'-Polyaromatic-Substituted Terpyridine Derivatives and 2,6-Bis(benzimidazol-2-yl)pyridine |
| Authors of publication | Dinesh Maity; Shyamal Das; Sourav Mardanya; Sujoy Baitalik |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 6820 - 6838 |
| a | 12.3047 ± 0.0009 Å |
| b | 19.7234 ± 0.0016 Å |
| c | 19.5156 ± 0.0015 Å |
| α | 90° |
| β | 90.466 ± 0.004° |
| γ | 90° |
| Cell volume | 4736.1 ± 0.6 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 | 0.1644 |
| Residual factor for significantly intense reflections | 0.0674 |
| Weighted residual factors for significantly intense reflections | 0.1568 |
| Weighted residual factors for all reflections included in the refinement | 0.1805 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
4335162.cif |
| 179454 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/51. |
4335162.cif |
| 101069 | 2014-02-10 | cif/ Adding structures of 4335162 via cif-deposit CGI script. |
4335162.cif |
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