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Information card for entry 4501857
Preview
| Coordinates | 4501857.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H40 Ag2 N12 O6 |
|---|---|
| Calculated formula | C26 H40 Ag2 N12 O6 |
| SMILES | c1(N)[n]([Ag]([n]2c(N)nc(cc2C)C)OC(=O)C(=O)O[Ag]([n]2c(N)nc(cc2C)C)[n]2c(N)nc(cc2C)C)c(C)cc(C)n1.O.O |
| Title of publication | Series of Ag(I) Coordination Complexes Derived from Aminopyrimidyl Ligands and Dicarboxylates: Syntheses, Crystal Structures, and Properties |
| Authors of publication | Sun, Di; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2010 |
| Journal volume | 10 |
| Journal issue | 8 |
| Pages of publication | 3699 |
| a | 7.122 ± 0.002 Å |
| b | 10.418 ± 0.004 Å |
| c | 11.812 ± 0.004 Å |
| α | 66.138 ± 0.006° |
| β | 86.572 ± 0.008° |
| γ | 88.632 ± 0.007° |
| Cell volume | 800.1 ± 0.5 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 | 0.0496 |
| Residual factor for significantly intense reflections | 0.0457 |
| Weighted residual factors for significantly intense reflections | 0.1341 |
| Weighted residual factors for all reflections included in the refinement | 0.1358 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.243 |
| 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. |
4501857.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4501857.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4501857.cif |
| 36137 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 4501853, 4501854, 4501855, 4501856, 4501857, 4501858 via cif-deposit CGI script. |
4501857.cif |
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