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Information card for entry 4504764
Preview
| Coordinates | 4504764.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H14 Ag F3 N4 O5 S |
|---|---|
| Calculated formula | C19 H14 Ag F3 N4 O5 S |
| Title of publication | Hierarchy of Hydrogen Bonding versus Anion Binding in Self-Assembled Network Structures of Silver(I) |
| Authors of publication | Burchell, Tara J.; Eisler, Dana J.; Puddephatt, Richard J. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2006 |
| Journal volume | 6 |
| Journal issue | 4 |
| Pages of publication | 974 |
| a | 11.47 ± 0.002 Å |
| b | 19.039 ± 0.004 Å |
| c | 9.852 ± 0.002 Å |
| α | 90° |
| β | 99.69 ± 0.03° |
| γ | 90° |
| Cell volume | 2120.8 ± 0.7 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 | 0.0912 |
| Residual factor for significantly intense reflections | 0.0477 |
| Weighted residual factors for significantly intense reflections | 0.0981 |
| Weighted residual factors for all reflections included in the refinement | 0.1148 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.973 |
| 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. |
4504764.cif |
| 179582 | 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 4/50/47. |
4504764.cif |
| 120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4504764.cif |
| 47513 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4504760, 4504761, 4504762, 4504763, 4504764, 4504765 via cif-deposit CGI script. |
4504764.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.