Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4071196
Preview
Coordinates | 4071196.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H35 I O3 P2 Pd |
---|---|
Calculated formula | C32 H35 I O3 P2 Pd |
SMILES | [Pd]12(I)([P](c3ccccc3)(c3ccccc3)c3ccccc3)[CH](P(=O)(OCC)OCC)=[C]1(C2C)c1ccccc1 |
Title of publication | Insertion Reactions of Allenes with Palladium Aryl Complexes [PdI(Ph)(PPh3)]2and PdI(Ph)(dppe) |
Authors of publication | Bai, Tao; Xue, Liqin; Xue, Peng; Zhu, Jun; Sung, Herman Ho-Yung; Ma, Shengming; Wiliams, Ian Duncan; Lin, Zhenyang; Jia, Guochen |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 11 |
Pages of publication | 2614 |
a | 12.2084 ± 0.0013 Å |
b | 14.0521 ± 0.0015 Å |
c | 19.558 ± 0.002 Å |
α | 90° |
β | 105.207 ± 0.002° |
γ | 90° |
Cell volume | 3237.8 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.073 |
Residual factor for significantly intense reflections | 0.0492 |
Weighted residual factors for significantly intense reflections | 0.1087 |
Weighted residual factors for all reflections included in the refinement | 0.1173 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.914 |
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/4071196.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.