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Information card for entry 4117486
Preview
| Coordinates | 4117486.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C51 H39 Ag3 F6 N6 S6 |
|---|---|
| Calculated formula | C51 H39 Ag3 F6 N6 S6 |
| SMILES | [Ag]1n2[n]([Ag]n3[n]([Ag]n4[n]1c(cc4CSc1ccc(F)cc1)CSc1ccc(F)cc1)c(cc3CSc1ccc(F)cc1)CSc1ccc(F)cc1)c(cc2CSc1ccc(F)cc1)CSc1ccc(F)cc1 |
| Title of publication | A New Dimension in Cyclic Coinage Metal Pyrazolates: Decoration with a Second Ring of Coinage Metals Supported by Inter-ring Metallophilic Interactions |
| Authors of publication | Ann Christin Jahnke; Kevin Pröpper; Catherine Bronner; Jörg Teichgräber; Sebastian Dechert; Michael John; Oliver S. Wenger; Franc Meyer |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2012 |
| Journal volume | 134 |
| Pages of publication | 2938 - 2941 |
| a | 18.5786 ± 0.0006 Å |
| b | 9.3933 ± 0.0002 Å |
| c | 28.6536 ± 0.0009 Å |
| α | 90° |
| β | 94.522 ± 0.003° |
| γ | 90° |
| Cell volume | 4984.9 ± 0.2 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0962 |
| Residual factor for significantly intense reflections | 0.0786 |
| Weighted residual factors for significantly intense reflections | 0.1862 |
| Weighted residual factors for all reflections included in the refinement | 0.1915 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.326 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301833 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
4117486.cif |
| 178945 | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/74. |
4117486.cif |
| 74585 | 2013-03-01 | cif/ Adding structures of 4117486 via cif-deposit CGI script. |
4117486.cif |
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Users of the data should acknowledge the original authors of the
structural data.