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Information card for entry 7202946
Preview
| Coordinates | 7202946.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C41 H28 Ag F3 N4 O3 S |
|---|---|
| Calculated formula | C41 H28 Ag F3 N4 O3 S |
| SMILES | [Ag]([n]1c2c(nc(c3ccccc3)c1c1ccccc1)cccc2)[n]1c2ccccc2nc(c1c1ccccc1)c1ccccc1.S(=O)(=O)([O-])C(F)(F)F |
| Title of publication | Effect of the size of discrete anions on the nuclearity of a complex cation |
| Authors of publication | Patra, Goutam K.; Goldberg, Israel; De, Senjuti; Datta, Dipankar |
| Journal of publication | CrystEngComm |
| Year of publication | 2007 |
| Journal volume | 9 |
| Journal issue | 9 |
| Pages of publication | 828 |
| a | 11.2181 ± 0.0002 Å |
| b | 11.614 ± 0.0001 Å |
| c | 13.7958 ± 0.0002 Å |
| α | 77.7882 ± 0.0005° |
| β | 81.4908 ± 0.0005° |
| γ | 76.7651 ± 0.0005° |
| Cell volume | 1700.7 ± 0.04 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.036 |
| Residual factor for significantly intense reflections | 0.0287 |
| Weighted residual factors for significantly intense reflections | 0.0686 |
| Weighted residual factors for all reflections included in the refinement | 0.0724 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7202946.cif |
| 180360 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/29. |
7202946.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7202946.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7202946.cif |
| 1188 | 2010-06-06 | cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories. |
7202946.cif |
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Users of the data should acknowledge the original authors of the
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