Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4080632
Preview
Coordinates | 4080632.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H28 Cl2 N2 Pd Se |
---|---|
Calculated formula | C19 H28 Cl2 N2 Pd Se |
SMILES | c1ccccc1[Se]1CCN2C(N(C=C2)CCCCCCCC)=[Pd]1(Cl)Cl |
Title of publication | Selenium-Containing N-Heterocyclic Carbenes and Their First Palladium(II) Complexes: Synthesis, Structure, and Pendent Alkyl Chain Length Dependent Catalytic Activity for Suzuki‒Miyaura Coupling |
Authors of publication | Sharma, Kamal Nayan; Joshi, Hemant; Sharma, Alpesh K.; Prakash, Om; Singh, Ajai K. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 8 |
Pages of publication | 2443 |
a | 18.53 ± 0.006 Å |
b | 8.252 ± 0.002 Å |
c | 14.644 ± 0.004 Å |
α | 90° |
β | 106.613 ± 0.006° |
γ | 90° |
Cell volume | 2145.7 ± 1 Å3 |
Cell temperature | 195 ± 2 K |
Ambient diffraction temperature | 195 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1158 |
Residual factor for significantly intense reflections | 0.0832 |
Weighted residual factors for significantly intense reflections | 0.169 |
Weighted residual factors for all reflections included in the refinement | 0.184 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4080632.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.