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Information card for entry 4325845
Preview
| Coordinates | 4325845.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 4 |
|---|---|
| Formula | C57 H38 Ag F3 O3 P2 S |
| Calculated formula | C57 H38 Ag F3 O3 P2 S |
| SMILES | [Ag]([P](c1ccc2ccc3cccc4ccc1c2c34)(c1ccccc1)c1ccccc1)([P](c1ccc2ccc3cccc4ccc1c2c34)(c1ccccc1)c1ccccc1)OS(=O)(=O)C(F)(F)F |
| Title of publication | Metallacyclophanes of 1,6-Bis(diphenylphosphino)pyrene: Excimeric Emission and Effect of Oxygen on Stability of the Rings |
| Authors of publication | Jian Hu; Minh-Hai Nguyen; John H. K. Yip |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 7429 - 7439 |
| a | 11.3616 ± 0.0004 Å |
| b | 19.8387 ± 0.0008 Å |
| c | 20.8318 ± 0.0008 Å |
| α | 90° |
| β | 103.567 ± 0.001° |
| γ | 90° |
| Cell volume | 4564.5 ± 0.3 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0923 |
| Residual factor for significantly intense reflections | 0.0697 |
| Weighted residual factors for significantly intense reflections | 0.1703 |
| Weighted residual factors for all reflections included in the refinement | 0.1837 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301838 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure. |
4325845.cif |
| 179361 | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/58. |
4325845.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4325845.cif |
| 46881 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4325845 via cif-deposit CGI script. |
4325845.cif |
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Users of the data should acknowledge the original authors of the
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