Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4131467
Preview
Coordinates | 4131467.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H15 I N4 Pd |
---|---|
Calculated formula | C13 H15 I N4 Pd |
SMILES | I[Pd]1([n]2c3c4[n]1cccc4nnc3ccc2)(C)(C)C |
Title of publication | Tuning the Stability of Pd(IV) Intermediates Using a Redox Non-innocent Ligand Combined with an Organolanthanide Fragment. |
Authors of publication | Goudy, Violaine; Jaoul, Arnaud; Cordier, Marie; Clavaguéra, Carine; Nocton, Grégory |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2017 |
Journal volume | 139 |
Journal issue | 31 |
Pages of publication | 10633 - 10636 |
a | 6.936 ± 0.0003 Å |
b | 14.4872 ± 0.0007 Å |
c | 14.8067 ± 0.0006 Å |
α | 90° |
β | 94.349 ± 0.003° |
γ | 90° |
Cell volume | 1483.54 ± 0.11 Å3 |
Cell temperature | 150 ± 0.1 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0737 |
Residual factor for significantly intense reflections | 0.0439 |
Weighted residual factors for significantly intense reflections | 0.0947 |
Weighted residual factors for all reflections included in the refinement | 0.1067 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
Diffraction radiation wavelength | 0.71069 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/4131467.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.