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Information card for entry 4500925
Preview
| Coordinates | 4500925.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C62 H58 Ag4 N30 O8 |
|---|---|
| Calculated formula | C62 H58 Ag4 N30 O8 |
| SMILES | c1(ccccc1)c1nc([n](c(n1)N)[Ag]1([O]=C2[O]3[Ag]([n]4c(nc(nc4N)c4ccccc4)N)[O]([Ag]3[n]3c(nc(nc3N)c3ccccc3)N)C(=[O][Ag]([n]3c(nc(c4ccccc4)nc3N)N)(OC(=O)C=C2)[n]2c(nc(c3ccccc3)nc2N)N)C=CC(=O)O1)[n]1c(nc(c2ccccc2)nc1N)N)N |
| Title of publication | Effect of Different Carboxylates on a Series of Ag(I) Coordination Compounds with Benzoguanamine Ligand |
| Authors of publication | Hao, Hong-Jun; Sun, Di; Li, Yun-Hua; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2011 |
| Journal volume | 11 |
| Journal issue | 8 |
| Pages of publication | 3564 |
| a | 10.553 ± 0.002 Å |
| b | 13.529 ± 0.003 Å |
| c | 14.104 ± 0.003 Å |
| α | 107.6 ± 0.03° |
| β | 104.36 ± 0.03° |
| γ | 110.89 ± 0.03° |
| Cell volume | 1643.9 ± 1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0403 |
| Residual factor for significantly intense reflections | 0.0288 |
| Weighted residual factors for significantly intense reflections | 0.068 |
| Weighted residual factors for all reflections included in the refinement | 0.0918 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.907 |
| 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. |
4500925.cif |
| 179540 | 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 4/50/09. |
4500925.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4500925.cif |
| 34693 | 2012-02-25 | ../uploads/cif-deposit/cod/cif Adding structures of 4500924, 4500925, 4500926, 4500927, 4500928, 4500929, 4500930, 4500931 via cif-deposit CGI script. |
4500925.cif |
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Users of the data should acknowledge the original authors of the
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