Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4068435
Preview
Coordinates | 4068435.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H51 Br Cl3 N O P2 Pd |
---|---|
Calculated formula | C26 H51 Br Cl3 N O P2 Pd |
SMILES | [Pd](Br)([P](C(C)C)(C(C)C)C(C)C)(C#CC(=O)N1CCCC1)[P](C(C)C)(C(C)C)C(C)C.ClC(Cl)Cl |
Title of publication | Synthesis of the First Stable Palladium Allenylidene Complexes |
Authors of publication | Kessler, Florian; Szesni, Normen; Põhako, Kaija; Weibert, Bernhard; Fischer, Helmut |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 1 |
Pages of publication | 348 |
a | 8.9048 ± 0.0018 Å |
b | 11.445 ± 0.002 Å |
c | 32.83 ± 0.007 Å |
α | 90° |
β | 91.24 ± 0.03° |
γ | 90° |
Cell volume | 3345.1 ± 1.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
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 | 0.0427 |
Residual factor for significantly intense reflections | 0.0343 |
Weighted residual factors for significantly intense reflections | 0.0776 |
Weighted residual factors for all reflections included in the refinement | 0.081 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
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/4068435.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.