Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7204126
Preview
Coordinates | 7204126.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 2,4,7-trinitro-9-dicyanomethylenefluorene 4-iodotetrathiafulvalene |
---|---|
Formula | C22 H8 I N5 O6 S4 |
Calculated formula | C22 H7 I N5 O6 S4 |
Title of publication | Synthesis and crystal engineering of new halogenated tetrathiafulvalene (TTF) derivatives and their charge transfer complexes and radical ion salts |
Authors of publication | Batsanov, Andrei S.; Bryce, Martin R.; Chesney, Antony; Howard, Judith A. K.; John, Derek E.; Moore, Adrian J.; Wood, Clare L.; Gershtenman, Hagit; Becker, James Y.; Khodorkovsky, Vladimir Y.; Ellern, Arkady; Bernstein, Joel; Perepichka, Igor F.; Rotello, Vincent; Gray, Mark; Cuello, Alejandro O. |
Journal of publication | Journal of Materials Chemistry |
Year of publication | 2001 |
Journal volume | 11 |
Journal issue | 9 |
Pages of publication | 2181 |
a | 11.209 ± 0.004 Å |
b | 7.16 ± 0.003 Å |
c | 29.917 ± 0.003 Å |
α | 90° |
β | 94.03 ± 0.02° |
γ | 90° |
Cell volume | 2395.1 ± 1.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
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 | 0.1581 |
Residual factor for significantly intense reflections | 0.1299 |
Weighted residual factors for significantly intense reflections | 0.3127 |
Weighted residual factors for all reflections included in the refinement | 0.3381 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.285 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/7204126.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.