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Information card for entry 4073594
Preview
| Coordinates | 4073594.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | complex 4 |
|---|---|
| Formula | C44 H65 Ag F3 N O4 P2 S |
| Calculated formula | C44 H65 Ag F3 N O4 P2 S |
| SMILES | [Ag]1([P](=Cc2[n]c(ccc2)C=[P]1c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)(OS(=O)(=O)C(F)(F)F)[OH2] |
| Title of publication | Synthesis, Structures, and Catalytic Properties of Late-Transition-Metal 2,6-Bis(2-phosphaethenyl)pyridine Complexes |
| Authors of publication | Hayashi, Akito; Okazaki, Masaaki; Ozawa, Fumiyuki; Tanaka, Rika |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 21 |
| Pages of publication | 5246 |
| a | 10.953 ± 0.001 Å |
| b | 14.836 ± 0.002 Å |
| c | 15.422 ± 0.001 Å |
| α | 79.143 ± 0.006° |
| β | 74.963 ± 0.005° |
| γ | 85.396 ± 0.007° |
| Cell volume | 2375.6 ± 0.4 Å3 |
| Cell temperature | 223.2 K |
| Ambient diffraction temperature | 223 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 significantly intense reflections | 0.048 |
| Weighted residual factors for all reflections included in the refinement | 0.1123 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301830 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure. |
4073594.cif |
| 178624 | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/35. |
4073594.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4073594.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4073594.cif |
| 46440 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4073594 via cif-deposit CGI script. |
4073594.cif |
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