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Information card for entry 4339234
Preview
| Coordinates | 4339234.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C56 H90 Ag2 N2 O P4 |
|---|---|
| Calculated formula | C56 H90 Ag2 N2 O P4 |
| SMILES | [Ag]1([P](c2c(N([Ag]34)c5c([P]3(C(C)C)C(C)C)cc(cc5)C)ccc(c2)C)(C(C)C)C(C)C)[P](c2c(N1c1c([P]4(C(C)C)C(C)C)cc(cc1)C)ccc(c2)C)(C(C)C)C(C)C.O(CC)CC |
| Title of publication | Silver(I) and thallium(I) complexes of a PNP ligand and their utility as PNP transfer reagents. |
| Authors of publication | DeMott, Jessica C.; Basuli, Falguni; Kilgore, Uriah J.; Foxman, Bruce M.; Huffman, John C.; Ozerov, Oleg V.; Mindiola, Daniel J. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Journal issue | 16 |
| Pages of publication | 6271 - 6276 |
| a | 12.4563 ± 0.0005 Å |
| b | 14.3609 ± 0.0006 Å |
| c | 16.9195 ± 0.0007 Å |
| α | 105.46 ± 0.0019° |
| β | 91.328 ± 0.002° |
| γ | 95.677 ± 0.002° |
| Cell volume | 2898.9 ± 0.2 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0594 |
| Residual factor for significantly intense reflections | 0.0349 |
| Weighted residual factors for all reflections | 0.0685 |
| Weighted residual factors for significantly intense reflections | 0.062 |
| Weighted residual factors for all reflections included in the refinement | 0.0685 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.7578 |
| 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. |
4339234.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4339234.cif |
| 174394 | 2016-01-12 | cif/4 Fixing some Z values and formulae |
4339234.cif |
| 117219 | 2014-06-14 | cif/ Adding structures of 4339234 via cif-deposit CGI script. |
4339234.cif |
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Users of the data should acknowledge the original authors of the
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