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Information card for entry 4104611
Preview
| Coordinates | 4104611.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H27 F6 N2 Pd Sb |
|---|---|
| Calculated formula | C21 H27 F6 N2 Pd Sb |
| SMILES | [Pd]12([CH2]=[C]1(C)C[C@H]1[C@@H]3CC[C@H]([C@@H]21)C3)([n]1ccccc1)[n]1ccccc1.[Sb](F)(F)(F)(F)(F)[F-].[Pd]12([CH2]=[C]1(C)C[C@@H]1[C@H]3CC[C@@H]([C@H]21)C3)([n]1ccccc1)[n]1ccccc1.[Sb](F)(F)(F)(F)(F)[F-] |
| Title of publication | γ-Agostic Species as Key Intermediates in the Vinyl Addition Polymerization of Norbornene with Cationic (allyl)Pd Catalysts: Synthesis and Mechanistic Insights |
| Authors of publication | Marc D. Walter; Rebecca A. Moorhouse; Stephanie A. Urbin; Peter S. White; Maurice Brookhart |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2009 |
| Journal volume | 131 |
| Pages of publication | 9055 - 9069 |
| a | 9.867 ± 0.0002 Å |
| b | 18.4716 ± 0.0003 Å |
| c | 13.4204 ± 0.0003 Å |
| α | 90° |
| β | 92.169 ± 0.001° |
| γ | 90° |
| Cell volume | 2444.24 ± 0.08 Å3 |
| Cell temperature | 250 ± 2 K |
| Ambient diffraction temperature | 250 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0565 |
| Residual factor for significantly intense reflections | 0.0479 |
| Weighted residual factors for significantly intense reflections | 0.1262 |
| Weighted residual factors for all reflections included in the refinement | 0.1341 |
| 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 | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178792 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/46. |
4104611.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4104611.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4104611.cif |
| 29637 | 2011-11-04 | ../uploads/cif-deposit/cod/cif Adding structures of 4104611 via cif-deposit CGI script. |
4104611.cif |
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