Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4086269
Preview
Coordinates | 4086269.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H28 Mo O10 P2 S2 |
---|---|
Calculated formula | C34 H28 Mo O10 P2 S2 |
SMILES | C([Mo]1(C#[O])(C#[O])(C#[O])[P]2(Oc3c(c4c(cccc4)O2)cccc3)OCCSCCSCCO[P]21Oc1c(c3c(cccc3)O2)cccc1)#[O] |
Title of publication | Metallathiacrown Ethers: Synthesis and Characterization of Transition-Metal Complexes Containing α,ω-Bis(phosphite)-Polythioether Ligands and an Evaluation of Their Soft Metal Binding Capabilities |
Authors of publication | Martin, Justin R.; Lucius, Aaron L.; Gray, Gary M. |
Journal of publication | Organometallics |
Year of publication | 2015 |
Journal volume | 34 |
Journal issue | 18 |
Pages of publication | 4605 |
a | 8.4804 ± 0.0003 Å |
b | 11.0034 ± 0.0005 Å |
c | 19.7233 ± 0.001 Å |
α | 84.037 ± 0.001° |
β | 77.997 ± 0.002° |
γ | 68.949 ± 0.001° |
Cell volume | 1679.2 ± 0.13 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 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 | 0.0249 |
Residual factor for significantly intense reflections | 0.0244 |
Weighted residual factors for significantly intense reflections | 0.0613 |
Weighted residual factors for all reflections included in the refinement | 0.0615 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/4086269.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.