Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7112888
Preview
Coordinates | 7112888.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | TTF-DIQPO4 |
---|---|
Formula | C208 H284 N20 O19 P4 S24 |
Calculated formula | C208 H284 N20 O19 P4 S24 |
Title of publication | Tetrathiafulvalene diindolylquinoxaline: a dual signaling anion receptor with phosphate selectivity. |
Authors of publication | Bejger, Christopher; Park, Jung Su; Silver, Eric S.; Sessler, Jonathan L. |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2010 |
Journal volume | 46 |
Journal issue | 41 |
Pages of publication | 7745 - 7747 |
a | 15.186 ± 0.003 Å |
b | 16.853 ± 0.003 Å |
c | 25.923 ± 0.005 Å |
α | 92.706 ± 0.005° |
β | 90.213 ± 0.005° |
γ | 91.252 ± 0.005° |
Cell volume | 6625 ± 2 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 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 | 0.1805 |
Residual factor for significantly intense reflections | 0.0851 |
Weighted residual factors for significantly intense reflections | 0.1798 |
Weighted residual factors for all reflections included in the refinement | 0.2045 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7112888.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.