Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7110282
Preview
Coordinates | 7110282.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | BEDO-TSeF |
---|---|
Formula | C10 H8 O4 Se4 |
Calculated formula | C10 H8 O4 Se4 |
SMILES | [Se]1C(=C2[Se]C3=C([Se]2)OCCO3)[Se]C2=C1OCCO2 |
Title of publication | Synthesis, crystal structure and electrochemical properties of bis(ethylenedioxy)tetraselenafulvalene (BEDO-TSeF) |
Authors of publication | Imakubo, Tatsuro; Shirahata, Takashi; Kibune, Megumi |
Journal of publication | Chemical Communications |
Year of publication | 2004 |
Journal issue | 14 |
Pages of publication | 1590 - 1591 |
a | 7.7348 ± 0.0004 Å |
b | 7.8387 ± 0.0005 Å |
c | 21.9084 ± 0.0013 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1328.32 ± 0.13 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0444 |
Residual factor for significantly intense reflections | 0.0372 |
Weighted residual factors for significantly intense reflections | 0.0943 |
Weighted residual factors for all reflections included in the refinement | 0.0979 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
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/7110282.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.