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Information card for entry 4341448
Preview
| Coordinates | 4341448.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C27 H22 Ag F3 I2 N8 O3 S |
|---|---|
| Calculated formula | C27 H22 Ag F3 I2 N8 O3 S |
| SMILES | Ic1cc(ccc1)C1n2[n]([Ag]3([n]4n1ccc4)[n]1n(C(n4[n]3ccc4)c3cc(I)ccc3)ccc1)ccc2.S(=O)(=O)([O-])C(F)(F)F |
| Title of publication | Isomer Dependence in the Assembly and Lability of Silver(I) Trifluoromethanesulfonate Complexes of the Heteroditopic Ligands, 2-, 3-, and 4-[Di(1H-pyrazolyl)methyl]phenyl(di-p-tolyl)phosphine |
| Authors of publication | Gardinier, James R.; Hewage, Jeewantha S.; Lindeman, Sergey V. |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2014 |
| Pages of publication | 141106150122003 |
| a | 9.4676 ± 0.0003 Å |
| b | 11.623 ± 0.0003 Å |
| c | 15.5967 ± 0.0004 Å |
| α | 70.706 ± 0.002° |
| β | 86.72 ± 0.002° |
| γ | 85.857 ± 0.002° |
| Cell volume | 1614.65 ± 0.08 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0448 |
| Residual factor for significantly intense reflections | 0.0317 |
| Weighted residual factors for significantly intense reflections | 0.0624 |
| Weighted residual factors for all reflections included in the refinement | 0.0698 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4341448.cif |
| 179517 | 2016-03-23 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/14. |
4341448.cif |
| 126610 | 2014-11-07 | cif/ Adding structures of 4341444, 4341445, 4341446, 4341447, 4341448 via cif-deposit CGI script. |
4341448.cif |
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Users of the data should acknowledge the original authors of the
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