Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4084851
Preview
| Coordinates | 4084851.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H44 N2 O2 Pd |
|---|---|
| Calculated formula | C34 H44 N2 O2 Pd |
| SMILES | [Pd]123(=C4N(C=CN4c4c(cc(cc4C)C)C)c4c(O1)c(cc(c4)C(C)(C)C)C(C)(C)C)[C@H]1C[C@H]4C(OC)=C2[C@@H]31C4.[Pd]123(=C4N(C=CN4c4c(cc(cc4C)C)C)c4c(O1)c(cc(c4)C(C)(C)C)C(C)(C)C)[C@@H]1C[C@@H]4C(OC)=C2[C@H]31C4 |
| 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 | 10.502 ± 0.002 Å |
| b | 19.637 ± 0.004 Å |
| c | 14.591 ± 0.003 Å |
| α | 90° |
| β | 92.89 ± 0.03° |
| γ | 90° |
| Cell volume | 3005.2 ± 1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0468 |
| Residual factor for significantly intense reflections | 0.0352 |
| Weighted residual factors for significantly intense reflections | 0.082 |
| Weighted residual factors for all reflections included in the refinement | 0.086 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 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. |
4084851.cif |
| 131475 | 2015-02-07 | cif/ Updating files of 4084851, 4084852, 4084853, 4084854 Original log message: Adding full bibliography for 4084851--4084854.cif. |
4084851.cif |
| 127846 | 2014-11-22 | cif/ Adding structures of 4084851, 4084852, 4084853, 4084854 via cif-deposit CGI script. |
4084851.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.