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Information card for entry 4339702
Preview
| Coordinates | 4339702.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | [H3B(5-(CF3)Pz)]Ag[P(p-C6H4CH3)3]2 |
|---|---|
| Formula | C46 H47 Ag B F3 N2 P2 |
| Calculated formula | C46 H47 Ag B F3 N2 P2 |
| SMILES | [Ag]1([n]2n([BH2][H]1)c(cc2)C(F)(F)F)([P](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C)[P](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C |
| Title of publication | Small scorpionate ligands: silver(I)-organophosphane complexes of 5-CF(3)-substituted scorpionate ligand combining a B-H...Ag coordination motif. |
| Authors of publication | Dias, H. V. Rasika; Alidori, Simone; Lobbia, Giancarlo Gioia; Papini, Grazia; Pellei, Maura; Santini, Carlo |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Journal issue | 23 |
| Pages of publication | 9708 - 9714 |
| a | 12.0954 ± 0.0005 Å |
| b | 12.4403 ± 0.0006 Å |
| c | 14.3438 ± 0.0006 Å |
| α | 81.045 ± 0.001° |
| β | 86.313 ± 0.001° |
| γ | 89.387 ± 0.001° |
| Cell volume | 2127.6 ± 0.16 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0386 |
| Residual factor for significantly intense reflections | 0.0348 |
| Weighted residual factors for significantly intense reflections | 0.0901 |
| Weighted residual factors for all reflections included in the refinement | 0.0937 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| 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. |
4339702.cif |
| 179500 | 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 4/33/97. |
4339702.cif |
| 117487 | 2014-06-15 | cif/ Adding structures of 4339701, 4339702 via cif-deposit CGI script. |
4339702.cif |
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Users of the data should acknowledge the original authors of the
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