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Information card for entry 4341444
Preview
| Coordinates | 4341444.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C59 H56 Ag2 F6 N8 O7 P2 S2 |
|---|---|
| Calculated formula | C59 H56 Ag2 F6 N8 O7 P2 S2 |
| SMILES | [Ag]12([P](c3ccc(cc3)C3n4[n]([Ag]([P](c5ccc(cc5)C(n5[n]1ccc5)n1[n]2ccc1)(c1ccc(cc1)C)c1ccc(cc1)C)(OS(=O)(=O)C(F)(F)F)[n]1n3ccc1)ccc4)(c1ccc(cc1)C)c1ccc(cc1)C)OS(=O)(=O)C(F)(F)F.O=C(C)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 | 22.6768 ± 0.0003 Å |
| b | 11.79225 ± 0.00013 Å |
| c | 23.7381 ± 0.0003 Å |
| α | 90° |
| β | 99.9683 ± 0.0013° |
| γ | 90° |
| Cell volume | 6251.99 ± 0.14 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0384 |
| Residual factor for significantly intense reflections | 0.0301 |
| Weighted residual factors for significantly intense reflections | 0.0665 |
| Weighted residual factors for all reflections included in the refinement | 0.0707 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| 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. |
4341444.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. |
4341444.cif |
| 126610 | 2014-11-07 | cif/ Adding structures of 4341444, 4341445, 4341446, 4341447, 4341448 via cif-deposit CGI script. |
4341444.cif |
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