Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4087102
Preview
Coordinates | 4087102.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [(CNArDipp2)Pd]2(u-Cl)(u-C3H5) |
---|---|
Formula | C65 H79 Cl N2 Pd2 |
Calculated formula | C65 H79 Cl N2 Pd2 |
Title of publication | Synthetic and Mechanistic Interrogation of Pd/Isocyanide-Catalyzed Cross-Coupling: π-Acidic Ligands Enable Self-Aggregating Monoligated Pd(0) Intermediates |
Authors of publication | Barnett, Brandon R.; Labios, Liezel A.; Stauber, Julia M.; Moore, Curtis E.; Rheingold, Arnold L.; Figueroa, Joshua S. |
Journal of publication | Organometallics |
Year of publication | 2017 |
Journal volume | 36 |
Journal issue | 4 |
Pages of publication | 944 |
a | 8.534 ± 0.003 Å |
b | 11.03 ± 0.004 Å |
c | 16.148 ± 0.005 Å |
α | 75.637 ± 0.004° |
β | 84.351 ± 0.005° |
γ | 85.307 ± 0.004° |
Cell volume | 1462.8 ± 0.9 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0399 |
Residual factor for significantly intense reflections | 0.0334 |
Weighted residual factors for significantly intense reflections | 0.0762 |
Weighted residual factors for all reflections included in the refinement | 0.0809 |
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 | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4087102.html
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.