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Information card for entry 4334075
Preview
| Coordinates | 4334075.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C35 H37 Ag2 F6 N11 O10 S2 |
|---|---|
| Calculated formula | C35 H37 Ag2 F6 N11 O10 S2 |
| SMILES | C=CC(=O)OCc1cccc2C=[N]3N(C)c4cc5[n](c(C)[n]4[Ag]3([n]12)([N]#CC)[N]#CC)[Ag]1([N](=Cc2cccc(COC(=O)C=C)[n]12)N5C)([N]#CC)OS(=O)(=O)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[O-] |
| Title of publication | Influence of Terminal Acryloyl Arms on the Coordination Chemistry of a Ditopic Pyrimidine-Hydrazone Ligand: Comparison of Pb(II), Zn(II), Cu(II), and Ag(I) Complexes |
| Authors of publication | Daniel J. Hutchinson; Lyall R. Hanton; Stephen C. Moratti |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 2716 - 2728 |
| a | 11.9718 ± 0.0004 Å |
| b | 12.9367 ± 0.0005 Å |
| c | 15.4355 ± 0.0006 Å |
| α | 84.843 ± 0.002° |
| β | 68.834 ± 0.002° |
| γ | 79.247 ± 0.002° |
| Cell volume | 2189.5 ± 0.14 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0362 |
| Weighted residual factors for significantly intense reflections | 0.0889 |
| Weighted residual factors for all reflections included in the refinement | 0.1057 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
| 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. |
4334075.cif |
| 179443 | 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 4/33/40. |
4334075.cif |
| 99885 | 2014-02-03 | cif/ Adding structures of 4334075 via cif-deposit CGI script. |
4334075.cif |
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Users of the data should acknowledge the original authors of the
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