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Information card for entry 4104610
Preview
| Coordinates | 4104610.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H34 Cl2 Pd2 |
|---|---|
| Calculated formula | C22 H34 Cl2 Pd2 |
| SMILES | [CH2]1=[C]2(C[C@H]3[C@@H]4CC[C@H]([C@H]3[Pd]312[Cl][Pd]12([CH2]=[C]1(C[C@@H]1[C@H]5CC[C@@H]([C@H]21)C5)C)[Cl]3)C4)C |
| 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 | 6.5617 ± 0.0004 Å |
| b | 7.4785 ± 0.0006 Å |
| c | 11.1417 ± 0.0007 Å |
| α | 80.146 ± 0.001° |
| β | 75.201 ± 0.003° |
| γ | 89.762 ± 0.003° |
| Cell volume | 520.36 ± 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 | 0.042 |
| Residual factor for significantly intense reflections | 0.0373 |
| Weighted residual factors for significantly intense reflections | 0.0892 |
| Weighted residual factors for all reflections included in the refinement | 0.091 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| 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. |
4104610.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4104610.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4104610.cif |
| 29636 | 2011-11-04 | ../uploads/cif-deposit/cod/cif Adding structures of 4104610 via cif-deposit CGI script. |
4104610.cif |
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Users of the data should acknowledge the original authors of the
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