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Information card for entry 4067994
Preview
| Coordinates | 4067994.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | pentafluoropropenyltriphenylgermanium |
|---|---|
| Formula | C21 H15 F5 Ge |
| Calculated formula | C21 H15 F5 Ge |
| SMILES | C(=C(C(F)(F)F)\F)(F)/[Ge](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Pentafluoropropenyl Complexes of Mercury, Germanium, Tin, and Lead Derived from (Z)-CFH═CFCF3and Their Use as Transfer Reagents |
| Authors of publication | Brisdon, Alan K.; Pritchard, Robin G.; Thomas, Anthony |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 4 |
| Pages of publication | 1341 |
| a | 9.6608 ± 0.0003 Å |
| b | 10.266 ± 0.0003 Å |
| c | 11.7404 ± 0.0004 Å |
| α | 109.356 ± 0.001° |
| β | 95.807 ± 0.002° |
| γ | 115.144 ± 0.002° |
| Cell volume | 953.72 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0797 |
| Residual factor for significantly intense reflections | 0.0584 |
| Weighted residual factors for significantly intense reflections | 0.1422 |
| Weighted residual factors for all reflections included in the refinement | 0.1578 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301829 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/06/ Each referenced PubChem compound corresponds to the full crystal structure. |
4067994.cif |
| 178570 | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/79. |
4067994.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067994.cif |
| 38050 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 4067993, 4067994 via cif-deposit CGI script. |
4067994.cif |
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Users of the data should acknowledge the original authors of the
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