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Information card for entry 4070133
Preview
| Coordinates | 4070133.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H52 Cl2 N4 O2 Pd |
|---|---|
| Calculated formula | C37 H52 Cl2 N4 O2 Pd |
| SMILES | [Pd]12(=C3N(C=CN3C)c3c(O1)c(cc(c3)C(C)(C)C)C(C)(C)C)Oc1c(cc(cc1N1C=CN(C=21)C)C(C)(C)C)C(C)(C)C.ClCCl |
| Title of publication | Synthesis, Structures, and Norbornene Polymerization Behavior of Bis(aryloxide-N-heterocyclic carbene) Palladium Complexes |
| Authors of publication | Kong, Yong; Ren, Hongping; Xu, Shansheng; Song, Haibin; Liu, Binyuan; Wang, Baiquan |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 20 |
| Pages of publication | 5934 |
| a | 13.554 ± 0.003 Å |
| b | 22.249 ± 0.004 Å |
| c | 14.084 ± 0.003 Å |
| α | 90° |
| β | 116.84 ± 0.03° |
| γ | 90° |
| Cell volume | 3789.7 ± 1.7 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 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 | 0.0473 |
| Residual factor for significantly intense reflections | 0.0392 |
| Weighted residual factors for significantly intense reflections | 0.0921 |
| Weighted residual factors for all reflections included in the refinement | 0.0963 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178590 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/01. |
4070133.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4070133.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070133.cif |
| 40608 | 2012-03-08 | ../uploads/cif-deposit/cod/cif Adding structures of 4070132, 4070133, 4070134, 4070135, 4070136, 4070137 via cif-deposit CGI script. |
4070133.cif |
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Users of the data should acknowledge the original authors of the
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