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Information card for entry 4332999
Preview
| Coordinates | 4332999.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H22 Ag2 N12 O6 |
|---|---|
| Calculated formula | C28 H22 Ag2 N12 O6 |
| SMILES | c1(nc2cc3c4[n]([Ag]([n]13)[n]1c(c3cc5c6[n]([Ag]([n]7c2cccc7)[n]5c(n3)N)cccc6)cccc1)cccc4)N.N(=O)(=O)[O-].N(=O)(=O)[O-] |
| Title of publication | Structural Diversity of Silver(I) 4,6-Dipyridyl-2-Aminopyrimidine Complexes: Effect of Counteranions and Ligand Isomerism |
| Authors of publication | Chi, Ying-Nan; Huang, Kun-Lin; Cui, Feng-Yun; Xu, Yan-Qing; Hu, Chang-Wen |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2006 |
| Journal volume | 45 |
| Journal issue | 26 |
| Pages of publication | 10605 - 10612 |
| a | 8.091 ± 0.009 Å |
| b | 8.98 ± 0.01 Å |
| c | 10.786 ± 0.012 Å |
| α | 96.802 ± 0.014° |
| β | 90.398 ± 0.017° |
| γ | 109.199 ± 0.014° |
| Cell volume | 734 ± 1.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0865 |
| Residual factor for significantly intense reflections | 0.0633 |
| Weighted residual factors for significantly intense reflections | 0.1893 |
| Weighted residual factors for all reflections included in the refinement | 0.2343 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4332999.cif |
| 179432 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/29. |
4332999.cif |
| 98696 | 2014-01-30 | cif/ Adding structures of 4332999 via cif-deposit CGI script. |
4332999.cif |
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Users of the data should acknowledge the original authors of the
structural data.