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Information card for entry 7029148
Preview
| Coordinates | 7029148.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C54 H39 Cl2 N11 O8 Ru |
|---|---|
| Calculated formula | C54 H39 Cl2 N11 O8 Ru |
| SMILES | [Ru]123([n]4c(c([nH]c4c4ccc(cc4)c4cc(nc(c4)c4ccccn4)c4ccccn4)c4ccccn4)c4[n]1cccc4)([n]1ccccc1c1[n]2cccc1)[n]1c(cccc1)c1[n]3cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
| Title of publication | Synthesis, structural characterization, and multichannel anion and cation sensing studies of a bifunctional Ru(ii) polypyridyl-imidazole based receptor. |
| Authors of publication | Das, Shyamal; Karmakar, Srikanta; Mardanya, Sourav; Baitalik, Sujoy |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 9 |
| Pages of publication | 3767 - 3782 |
| a | 19.089 ± 0.005 Å |
| b | 15.026 ± 0.005 Å |
| c | 21.23 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 95.527 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 6061 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for all reflections | 0.1137 |
| Residual factor for significantly intense reflections | 0.082 |
| Weighted residual factors for significantly intense reflections | 0.2152 |
| Weighted residual factors for all reflections included in the refinement | 0.2312 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7029148.cif |
| 179997 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/91. |
7029148.cif |
| 105525 | 2014-03-12 | cif/ Adding structures of 7029148 via cif-deposit CGI script. |
7029148.cif |
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Users of the data should acknowledge the original authors of the
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