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Information card for entry 4508124
Preview
| Coordinates | 4508124.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C54 H44 Ag2 F6 N16 O6 S2 |
|---|---|
| Calculated formula | C54 H44 Ag2 F6 N16 O6 S2 |
| SMILES | c12c(cccc1)C1n3ccc[n]3[Ag](OS(=O)(=O)C(F)(F)F)([n]3cccn3C(c3c2cccc3)n2cccn2)[n]2cccn2C2c3c(cccc3)c3c(cccc3)C(n3ccc[n]3[Ag]([n]3cccn13)(OS(=O)(=O)C(F)(F)F)[n]1cccn21)n1cccn1 |
| Title of publication | Cyclic versus Polymeric Supramolecular Architectures in Metal Complexes of Dinucleating Ligands: Silver(I) Trifluoromethanesulfonate Complexes of the Isomers of Bis(di(1H-pyrazolyl)methyl)-1,1′-biphenyl. |
| Authors of publication | Gardinier, James R.; Tatlock, Heidi M.; Hewage, Jeewantha S.; Lindeman, Sergey V. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2013 |
| Journal volume | 13 |
| Journal issue | 9 |
| Pages of publication | 3864 |
| a | 16.251 ± 0.0006 Å |
| b | 18.0786 ± 0.0007 Å |
| c | 18.6411 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5476.7 ± 0.3 Å3 |
| Cell temperature | 100.05 ± 0.1 K |
| Ambient diffraction temperature | 100.05 ± 0.1 K |
| Number of distinct elements | 7 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0304 |
| Residual factor for significantly intense reflections | 0.0265 |
| Weighted residual factors for significantly intense reflections | 0.0656 |
| Weighted residual factors for all reflections included in the refinement | 0.0688 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.7107 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. |
4508124.cif |
| 179617 | 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 4/50/81. |
4508124.cif |
| 88828 | 2013-10-09 | cif/ Adding structures of 4508124, 4508125, 4508126, 4508127, 4508128 via cif-deposit CGI script. |
4508124.cif |
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