Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1564701
Preview
| Coordinates | 1564701.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H8 K4 O12 S4 |
|---|---|
| Calculated formula | C10 K4 O12 S4 |
| Title of publication | Effects of intervalence charge transfer interaction between π-stacked mixed valent tetrathiafulvalene ligands on the electrical conductivity of 3D metal‒organic frameworks |
| Authors of publication | Zhang, Shiyu; Panda, Dillip K.; Yadav, Ashok; Zhou, Wei; Saha, Sourav |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 21.6112 ± 0.0012 Å |
| b | 13.0967 ± 0.0007 Å |
| c | 7.3463 ± 0.0004 Å |
| α | 90° |
| β | 97.934 ± 0.002° |
| γ | 90° |
| Cell volume | 2059.36 ± 0.19 Å3 |
| Cell temperature | 208 ± 2 K |
| Ambient diffraction temperature | 208 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0814 |
| Residual factor for significantly intense reflections | 0.0682 |
| Weighted residual factors for significantly intense reflections | 0.1907 |
| Weighted residual factors for all reflections included in the refinement | 0.2006 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269221 (current) | 2021-09-21 | cif/ Adding structures of 1564698, 1564699, 1564700, 1564701 via cif-deposit CGI script. |
1564701.cif |
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.