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Information card for entry 4065686
Preview
| Coordinates | 4065686.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H26 F8 P2 Pt |
|---|---|
| Calculated formula | C38 H26 F8 P2 Pt |
| SMILES | [Pt]1([P](CC[P]1(c1c(cccc1F)F)c1c(cccc1F)F)(c1c(cccc1F)F)c1c(cccc1F)F)(c1ccccc1)c1ccccc1 |
| Title of publication | Ligand Electronic Effect on Reductive Elimination of Biphenyl fromcis-[Pt(Ph)2(diphosphine)] Complexes Bearing Electron-Poor Diphosphine: Correlation Study between Experimental and Theoretical Results |
| Authors of publication | Korenaga, Toshinobu; Abe, Kayoko; Ko, Aram; Maenishi, Ryota; Sakai, Takashi |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 18 |
| Pages of publication | 4025 |
| a | 10.2255 ± 0.0009 Å |
| b | 15.0723 ± 0.0013 Å |
| c | 21.8862 ± 0.0019 Å |
| α | 75.815 ± 0.001° |
| β | 82.332 ± 0.001° |
| γ | 87.809 ± 0.001° |
| Cell volume | 3241 ± 0.5 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0404 |
| Residual factor for significantly intense reflections | 0.0335 |
| Weighted residual factors for significantly intense reflections | 0.0851 |
| Weighted residual factors for all reflections included in the refinement | 0.0885 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178549 (current) | 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 4/06/56. |
4065686.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4065686.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4065686.cif |
| 33655 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4065686 via cif-deposit CGI script. |
4065686.cif |
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Users of the data should acknowledge the original authors of the
structural data.