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Information card for entry 4084854
Preview
| Coordinates | 4084854.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H48 N2 O3 Pd |
|---|---|
| Calculated formula | C32 H48 N2 O3 Pd |
| SMILES | [Pd]123(Oc4c(N5C=1N(C=C5)C(C)C)cc(cc4C(C)(C)C)C(C)(C)C)[CH]1=[CH]2C[C@@H]2[C@H]1[C@@H]1[C@H]3[C@@H](OCC)[C@H]2C1.O.[Pd]123(Oc4c(N5C=1N(C=C5)C(C)C)cc(cc4C(C)(C)C)C(C)(C)C)[CH]1=[CH]2C[C@H]2[C@@H]1[C@H]1[C@@H]3[C@H](OCC)[C@@H]2C1.O |
| Title of publication | Synthesis, Structures, and Norbornene Polymerization Behavior ofo-Aryloxide-Substituted NHC-Ligated σ, π-Cycloalkenyl Palladium Complexes |
| Authors of publication | Dang, Liang; Song, Haibin; Wang, Baiquan |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 23 |
| Pages of publication | 6812 |
| a | 7.745 ± 0.004 Å |
| b | 14.191 ± 0.008 Å |
| c | 14.617 ± 0.009 Å |
| α | 107.101 ± 0.001° |
| β | 100.507 ± 0.008° |
| γ | 99.836 ± 0.004° |
| Cell volume | 1466.1 ± 1.4 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0355 |
| Residual factor for significantly intense reflections | 0.0285 |
| Weighted residual factors for significantly intense reflections | 0.0683 |
| Weighted residual factors for all reflections included in the refinement | 0.0696 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178737 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/48. |
4084854.cif |
| 131475 | 2015-02-07 | cif/ Updating files of 4084851, 4084852, 4084853, 4084854 Original log message: Adding full bibliography for 4084851--4084854.cif. |
4084854.cif |
| 127846 | 2014-11-22 | cif/ Adding structures of 4084851, 4084852, 4084853, 4084854 via cif-deposit CGI script. |
4084854.cif |
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