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Information card for entry 4513479
Preview
| Coordinates | 4513479.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C78 H66 Bi2 Cl12 N6 O6 |
|---|---|
| Calculated formula | C78 H66 Bi2 Cl12 N6 O6 |
| SMILES | c1ccc(cc1)C(=O)C[n+]1ccc(cc1)c1cc[n+](cc1)CC(=O)c1ccccc1.[n+]1(ccc(cc1)c1cc[n+](cc1)CC(=O)c1ccccc1)CC(=O)c1ccccc1.[Bi]([Cl-])(Cl)(Cl)([Cl-])([Cl-])Cl.c1ccc(cc1)C(=O)C[n+]1ccc(cc1)c1cc[n+](cc1)CC(=O)c1ccccc1.[Bi]([Cl-])(Cl)(Cl)(Cl)([Cl-])[Cl-] |
| Title of publication | High Sensitivity Viologen for a Facile and Versatile Sensor of Base and Solvent Polarity in Solution and Solid State in Air Atmosphere. |
| Authors of publication | Shi, Wei; Xing, Feifei; Bai, Yue-Ling; Hu, Meiling; Zhao, Yongmei; Li, Ming-Xing; Zhu, Shourong |
| Journal of publication | ACS applied materials & interfaces |
| Year of publication | 2015 |
| Journal volume | 7 |
| Journal issue | 26 |
| Pages of publication | 14493 - 14500 |
| a | 11.585 ± 0.003 Å |
| b | 13.311 ± 0.003 Å |
| c | 14.923 ± 0.004 Å |
| α | 106.874 ± 0.003° |
| β | 107.017 ± 0.003° |
| γ | 99.008 ± 0.003° |
| Cell volume | 2031.1 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0485 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for significantly intense reflections | 0.0844 |
| Weighted residual factors for all reflections included in the refinement | 0.0899 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.85 |
| 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. |
4513479.cif |
| 152702 | 2015-08-03 | cif/ Adding structures of 4513479 via cif-deposit CGI script. |
4513479.cif |
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Users of the data should acknowledge the original authors of the
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