Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4511979
Preview
| Coordinates | 4511979.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C75 H138 Cl4 N2 P4 Pd2 S4 |
|---|---|
| Calculated formula | C75 H138 Cl4 N2 P4 Pd2 S4 |
| Title of publication | Enhanced Catalytic Performance of Indenediide Palladium Pincer Complexes for Cycloisomerization: Efficient Synthesis of Alkylidene Lactams |
| Authors of publication | Espinosa-Jalapa, Noel Ángel; Ke, Diandian; Nebra, Noel; Le Goanvic, Lucas; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier |
| Journal of publication | ACS Catalysis |
| Year of publication | 2014 |
| Journal volume | 4 |
| Journal issue | 10 |
| Pages of publication | 3605 |
| a | 10.2156 ± 0.0003 Å |
| b | 16.2747 ± 0.0005 Å |
| c | 26.6821 ± 0.0008 Å |
| α | 91.603 ± 0.001° |
| β | 90.239 ± 0.002° |
| γ | 103.725 ± 0.001° |
| Cell volume | 4307.4 ± 0.2 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0394 |
| Residual factor for significantly intense reflections | 0.031 |
| Weighted residual factors for significantly intense reflections | 0.0703 |
| Weighted residual factors for all reflections included in the refinement | 0.0752 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179666 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/19. |
4511979.cif |
| 124620 | 2014-10-06 | cif/ Updating files of 4511978, 4511979 Original log message: Adding full bibliography for 4511978--4511979.cif. |
4511979.cif |
| 123891 | 2014-09-16 | cif/ Adding structures of 4511978, 4511979 via cif-deposit CGI script. |
4511979.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.