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Information card for entry 4504621
Preview
| Coordinates | 4504621.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | bis(6,7-dicyanodipyridoquinoxaline)silver(I) triflate |
|---|---|
| Formula | C33 H12 Ag F3 N12 O3 S |
| Calculated formula | C33 H12 Ag F3 N12 O3 S |
| SMILES | [Ag]12([n]3cccc4c3c3[n]1cccc3c1nc(C#N)c(nc41)C#N)[n]1cccc3c1c1[n]2cccc1c1nc(C#N)c(nc31)C#N.S(=O)(=O)([O-])C(F)(F)F |
| Title of publication | Extended Structures of Transition Metal Complexes of 6,7-Dicyanodipyridoquinoxaline: π-Stacking, Weak Hydrogen Bonding, and CN···π Interactions |
| Authors of publication | Stephenson, Maria D.; Hardie, Michaele J. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2006 |
| Journal volume | 6 |
| Journal issue | 2 |
| Pages of publication | 423 |
| a | 9.112 ± 0.0001 Å |
| b | 19.807 ± 0.0003 Å |
| c | 18.39 ± 0.0004 Å |
| α | 90° |
| β | 105.99 ± 0.001° |
| γ | 90° |
| Cell volume | 3190.64 ± 0.09 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0605 |
| Residual factor for significantly intense reflections | 0.0419 |
| Weighted residual factors for significantly intense reflections | 0.1161 |
| Weighted residual factors for all reflections included in the refinement | 0.1313 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301842 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/50/ Each referenced PubChem compound corresponds to the full crystal structure. |
4504621.cif |
| 179581 | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/46. |
4504621.cif |
| 120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4504621.cif |
| 47438 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4504616, 4504617, 4504618, 4504619, 4504620, 4504621 via cif-deposit CGI script. |
4504621.cif |
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