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Information card for entry 7227939
Preview
| Coordinates | 7227939.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C52 H50 N14 O32 Ru2 W10 |
|---|---|
| Calculated formula | C52 H50 N14 O32 Ru2 W10 |
| SMILES | c1[n]2[Ru]3([n]4ccccc4c4[n]3cccc4)([N]#CC)([n]3c(c2ccc1)cccc3)[N]#CC.O=[W]1234O[W]567([O]894[W]4(O1)(O5)(=O)O[W]18(O2)(=O)O[W]258(O[W]%10%11%12(=O)O[W]%13([O]%142%12[W](O%10)(O%13)(=O)(O7)O[W]%14(O4)(O%11)(O8)=O)(O5)(=O)O[W]9(O3)(O6)(=O)O1)=O)=O.C(#N)C.c1cccc2c3cccc[n]3[Ru]3([n]12)([n]1ccccc1c1[n]3cccc1)([N]#CC)[N]#CC.N#CC |
| Title of publication | Electrostatic polypyridine–ruthenium(ii)⋯decatungstate dyads: structures, characterizations and photodegradation of dye |
| Authors of publication | Wang, Shugai; Xing, Songzhu; Shi, Zhuolin; He, Jiachen; Han, Qiuxia; Li, Mingxue |
| Journal of publication | RSC Adv. |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 29 |
| Pages of publication | 18024 |
| a | 10.6893 ± 0.0019 Å |
| b | 13.959 ± 0.002 Å |
| c | 14.063 ± 0.002 Å |
| α | 70.144 ± 0.01° |
| β | 70.634 ± 0.01° |
| γ | 89.661 ± 0.011° |
| Cell volume | 1848.4 ± 0.5 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0474 |
| Residual factor for significantly intense reflections | 0.033 |
| Weighted residual factors for significantly intense reflections | 0.0796 |
| Weighted residual factors for all reflections included in the refinement | 0.0851 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7227939.cif |
| 194501 | 2017-03-25 | cif/ Adding structures of 7227939 via cif-deposit CGI script. |
7227939.cif |
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Users of the data should acknowledge the original authors of the
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