Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4084116
Preview
Coordinates | 4084116.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | [Pd2Cl2(Me)2(1,3-trans-dppcbSe2)] |
---|---|
Formula | C55 H52 Cl4 P4 Pd2 Se2 |
Calculated formula | C55 H52 Cl4 P4 Pd2 Se2 |
SMILES | [Pd]1([Se]=P(C2C([P]1(c1ccccc1)c1ccccc1)C1P(=[Se][Pd](Cl)([P](C21)(c1ccccc1)c1ccccc1)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)C.ClCCl |
Title of publication | Linear α-Olefins Obtained with Palladium(II) Complexes Bearing a Partially Oxidized Tetraphosphane |
Authors of publication | Oberhauser, Werner; Manca, Gabriele; Ienco, Andrea; Strabler, Christof; Prock, Johannes; Weninger, Alexander; Gutmann, Rene; Brüggeller, Peter |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 15 |
Pages of publication | 4067 |
a | 12.6896 ± 0.0004 Å |
b | 13.2844 ± 0.0004 Å |
c | 18.6285 ± 0.0006 Å |
α | 102.671 ± 0.002° |
β | 93.34 ± 0.002° |
γ | 114.708 ± 0.002° |
Cell volume | 2743.18 ± 0.16 Å3 |
Cell temperature | 243 ± 2 K |
Ambient diffraction temperature | 243 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0687 |
Residual factor for significantly intense reflections | 0.0405 |
Weighted residual factors for significantly intense reflections | 0.0986 |
Weighted residual factors for all reflections included in the refinement | 0.1399 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.985 |
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/4084116.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.