Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4070456
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4070456.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Gandelman-69(Yael-390) |
---|---|
Formula | C16 H24 Cl2 N3 P Pd S |
Calculated formula | C16 H24 Cl2 N3 P Pd S |
SMILES | [Pd]1(Cl)(Cl)[P](Cc2[n]1nn(c2)CSc1ccccc1)(C(C)C)C(C)C |
Title of publication | Versatile, Selective, and Switchable Coordination Modes of Pincer Click Ligands |
Authors of publication | Schuster, Elaine M.; Botoshansky, Mark; Gandelman, Mark |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 24 |
Pages of publication | 7001 |
a | 13.41 ± 0.003 Å |
b | 13.946 ± 0.003 Å |
c | 23.514 ± 0.005 Å |
α | 90° |
β | 102.98 ± 0.03° |
γ | 90° |
Cell volume | 4285.1 ± 1.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/a 1 |
Hall space group symbol | -P 2ya |
Residual factor for all reflections | 0.1455 |
Residual factor for significantly intense reflections | 0.0482 |
Weighted residual factors for significantly intense reflections | 0.1093 |
Weighted residual factors for all reflections included in the refinement | 0.145 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.881 |
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/4070456.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.