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Information card for entry 7003490
Preview
| Coordinates | 7003490.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | bis-((S,S)-3,3-(2,3-butylenedioxy))-2,2-bipyridine)- palladium(ii) bis(hexafluorophosphate) |
|---|---|
| Chemical name | bis-[(S,S)-3,3-(2,3-butylenedioxy)]-2,2-bipyridine)-palladium(II) bis(hexafluorophosphate) |
| Formula | C28 H28 F12 N4 O4 P2 Pd |
| Calculated formula | C28 H28 F12 N4 O4 P2 Pd |
| SMILES | [Pd]12([n]3c4c5[n]1cccc5O[C@@H](C)[C@@H](Oc4ccc3)C)[n]1cccc3O[C@@H](C)[C@@H](Oc4c([n]2ccc4)c13)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | New atropisomeric N‒N ligands for CO/vinyl arene copolymerization reaction |
| Authors of publication | Durand, Jérôme; Zangrando, Ennio; Carfagna, Carla; Milani, Barbara |
| Journal of publication | Dalton Transactions |
| Year of publication | 2008 |
| Journal issue | 16 |
| Pages of publication | 2171 - 2182 |
| a | 9.438 ± 0.003 Å |
| b | 10.834 ± 0.004 Å |
| c | 16.503 ± 0.004 Å |
| α | 90° |
| β | 97.89 ± 0.03° |
| γ | 90° |
| Cell volume | 1671.5 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0508 |
| Residual factor for significantly intense reflections | 0.0412 |
| Weighted residual factors for significantly intense reflections | 0.1052 |
| Weighted residual factors for all reflections included in the refinement | 0.114 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | Mokα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179738 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/34. |
7003490.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7003490.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7003490.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7003490.cif |
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