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Information card for entry 4341445
Preview
| Coordinates | 4341445.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C60 H56 Ag2 F6 N10 O6 P2 S2 |
|---|---|
| Calculated formula | C60 H56 Ag2 F6 N10 O6 P2 S2 |
| SMILES | c12cc(ccc1)C1n3ccc[n]3[Ag]([n]3cccn13)[P](c1cc(ccc1)C1n3ccc[n]3[Ag]([P]2(c2ccc(cc2)C)c2ccc(cc2)C)[n]2cccn12)(c1ccc(cc1)C)c1ccc(cc1)C.FC(F)(F)S(=O)(=O)[O-].C(#N)C.FC(F)(F)S(=O)(=O)[O-].C(#N)C |
| 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 | 11.8539 ± 0.0002 Å |
| b | 15.5905 ± 0.0003 Å |
| c | 17.639 ± 0.0004 Å |
| α | 90° |
| β | 109.318 ± 0.002° |
| γ | 90° |
| Cell volume | 3076.29 ± 0.11 Å3 |
| Cell temperature | 100.05 ± 0.1 K |
| Ambient diffraction temperature | 100.05 ± 0.1 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0451 |
| Residual factor for significantly intense reflections | 0.033 |
| Weighted residual factors for significantly intense reflections | 0.0712 |
| Weighted residual factors for all reflections included in the refinement | 0.0777 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| 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. |
4341445.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. |
4341445.cif |
| 126610 | 2014-11-07 | cif/ Adding structures of 4341444, 4341445, 4341446, 4341447, 4341448 via cif-deposit CGI script. |
4341445.cif |
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