Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4131276
Preview
| Coordinates | 4131276.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H29 Al Cl3 N3 P2 Pd |
|---|---|
| Calculated formula | C39 H29 Al Cl3 N3 P2 Pd |
| SMILES | [Pd]12([Al]34(Cl)(Cl)[n]5c([P]1(c1ccccc1)c1ccccc1)cccc5c1[n]3c(ccc1)c1[n]4c([P]2(c2ccccc2)c2ccccc2)ccc1)Cl |
| Title of publication | Synthesis, Structure, and Catalysis of Palladium Complexes Bearing a Group 13 Metalloligand: Remarkable Effect of an Aluminum-Metalloligand in Hydrosilylation of CO<sub>2</sub>. |
| Authors of publication | Takaya, Jun; Iwasawa, Nobuharu |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| Journal volume | 139 |
| Journal issue | 17 |
| Pages of publication | 6074 - 6077 |
| a | 23.6164 ± 0.0003 Å |
| b | 22.668 ± 0.0003 Å |
| c | 36.3526 ± 0.0004 Å |
| α | 90° |
| β | 104.873 ± 0.0012° |
| γ | 90° |
| Cell volume | 18808.9 ± 0.4 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for all reflections | 0.0715 |
| Residual factor for significantly intense reflections | 0.0454 |
| Weighted residual factors for significantly intense reflections | 0.1071 |
| Weighted residual factors for all reflections included in the refinement | 0.1174 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 241512 (current) | 2019-11-25 | cif/ Adding structures of 4131273, 4131274, 4131275, 4131276, 4131277, 4131278 via cif-deposit CGI script. |
4131276.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.