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Information card for entry 1505116
Preview
| Coordinates | 1505116.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 3-[((2,6-Bis{3,5-bistrifluoromethylphenyl}phenyl)amino)methylene] -1,1,1,5,5,5-hexafluoropentane-2,4-dione |
|---|---|
| Formula | C28 H11 F18 N O2 |
| Calculated formula | C28 H11 F17.88 N O2 |
| SMILES | O=C(C(F)(F)F)C(=CNc1c(cccc1c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)C(F)(F)F |
| Title of publication | Synthesis of Aqueous Polyethylene Dispersions with Electron-Deficient Neutral Nickel(II) Catalysts with Enolatoimine Ligands |
| Authors of publication | Yu, Sze-Man; Berkefeld, Andreas; Göttker-Schnetmann, Inigo; Müller, Gerhard; Mecking, Stefan |
| Journal of publication | Macromolecules |
| Year of publication | 2007 |
| Journal volume | 40 |
| Journal issue | 3 |
| Pages of publication | 421 |
| a | 8.2269 ± 0.0005 Å |
| b | 15.4634 ± 0.001 Å |
| c | 11.0881 ± 0.0007 Å |
| α | 90° |
| β | 99.872 ± 0.005° |
| γ | 90° |
| Cell volume | 1389.7 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Ambient diffracton pressure | 101.325 kPa |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0525 |
| Residual factor for significantly intense reflections | 0.0472 |
| Weighted residual factors for significantly intense reflections | 0.1191 |
| Weighted residual factors for all reflections included in the refinement | 0.1223 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1505116.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505116.cif |
| 45356 | 2012-03-20 | ../uploads/cif-deposit/cod/cif Adding structures of 1505116 via cif-deposit CGI script. |
1505116.cif |
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Users of the data should acknowledge the original authors of the
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