Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7229110
Preview
Coordinates | 7229110.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Nitro(N,N,N,N'-tetraethyldiethylenetriamine)palladium(II) trifluoromethanesulfonate |
---|---|
Formula | C13 H29 F3 N4 O5 Pd S |
Calculated formula | C13 H29 F3 N4 O5 Pd S |
SMILES | C1C[NH]2CC[N](CC)(CC)[Pd]2(N(=O)=O)[N]1(CC)CC.C(F)(F)(F)S(=O)(=O)[O-] |
Title of publication | The Impact of Hydrogen Bonding on 100% Photo-Switching in Solid-State Nitro-Nitrito Linkage Isomers |
Authors of publication | Hatcher, Lauren E.; Raithby, Paul R. |
Journal of publication | CrystEngComm |
Year of publication | 2017 |
a | 9.2318 ± 0.0004 Å |
b | 13.1472 ± 0.0006 Å |
c | 17.0207 ± 0.0009 Å |
α | 90° |
β | 96.736 ± 0.005° |
γ | 90° |
Cell volume | 2051.58 ± 0.17 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
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 | 0.045 |
Residual factor for significantly intense reflections | 0.0309 |
Weighted residual factors for significantly intense reflections | 0.0596 |
Weighted residual factors for all reflections included in the refinement | 0.0649 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
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/7229110.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.