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Information card for entry 7037156
Preview
| Coordinates | 7037156.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43 H35 Cl2 N9 O10 Ru |
|---|---|
| Calculated formula | C43 H35 Cl2 N9 O10 Ru |
| SMILES | [Ru]123([n]4c(c5[n]1cccc5)cccc4)([n]1c(cccc1)c1[n]2cccc1)[n]1c(c2[nH]c4c5c6c7c(c4[n]32)cccc7ccc6ccc5)[nH]cc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O=CN(C)C |
| Title of publication | Pyrene-biimidazole based Ru(ii) and Os(ii) complexes as highly efficient probes for the visible and near-infrared detection of cyanide in aqueous media. |
| Authors of publication | Mardanya, Sourav; Karmakar, Srikanta; Bar, Manoranjan; Baitalik, Sujoy |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 48 |
| Pages of publication | 21053 - 21072 |
| a | 11.4961 ± 0.0004 Å |
| b | 30.8004 ± 0.001 Å |
| c | 12.1865 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4315.1 ± 0.2 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 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 | 0.1363 |
| Residual factor for significantly intense reflections | 0.059 |
| Weighted residual factors for significantly intense reflections | 0.1457 |
| Weighted residual factors for all reflections included in the refinement | 0.18 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.703 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7037156.cif |
| 171145 | 2015-12-09 | cif/ Updating files of 7037156 Original log message: Adding full bibliography for 7037156.cif. |
7037156.cif |
| 170241 | 2015-11-12 | cif/ Adding structures of 7037156 via cif-deposit CGI script. |
7037156.cif |
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