Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7202672
Preview
Coordinates | 7202672.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H72 Br4 N2 O4 Pd |
---|---|
Calculated formula | C42 H72 Br4 N2 O4 Pd |
SMILES | c1cccc[n+]1CCCCCCCCCCCCCCCC(=O)O.[Pd](Br)(Br)([Br-])[Br-].c1cccc[n+]1CCCCCCCCCCCCCCCC(=O)O |
Title of publication | Competitive interactions in carboxy-functionalized pyridinium salts: crossover from O‒H⋯O to O‒H⋯X‒M contacts |
Authors of publication | Neve, Francesco; Crispini, Alessandra |
Journal of publication | CrystEngComm |
Year of publication | 2007 |
Journal volume | 9 |
Journal issue | 8 |
Pages of publication | 698 |
a | 7.7977 ± 0.0009 Å |
b | 8.3354 ± 0.001 Å |
c | 19.246 ± 0.002 Å |
α | 97.599 ± 0.002° |
β | 92.545 ± 0.002° |
γ | 104.395 ± 0.002° |
Cell volume | 1197.1 ± 0.2 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 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 | 0.0484 |
Residual factor for significantly intense reflections | 0.0348 |
Weighted residual factors for significantly intense reflections | 0.083 |
Weighted residual factors for all reflections included in the refinement | 0.0868 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.957 |
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/7202672.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.