Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4519265
Preview
Coordinates | 4519265.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H34 Cl4 N2 O10 S4 |
---|---|
Calculated formula | C42 H34 Cl4 N2 O10 S4 |
Title of publication | An Electrically Conductive Tetrathiafulvalene-Based Hydrogen-Bonded Organic Framework |
Authors of publication | Kirlikovali, Kent O.; Goswami, Subhadip; Mian, Mohammad Rasel; Krzyaniak, Matthew D.; Wasielewski, Michael R.; Hupp, Joseph T.; Li, Peng; Farha, Omar K. |
Journal of publication | ACS Materials Letters |
Year of publication | 2021 |
Journal volume | 4 |
Journal issue | 1 |
Pages of publication | 128 - 135 |
a | 10.1487 ± 0.0004 Å |
b | 16.004 ± 0.0006 Å |
c | 16.6748 ± 0.0007 Å |
α | 78.442 ± 0.003° |
β | 87.882 ± 0.003° |
γ | 72.798 ± 0.004° |
Cell volume | 2533.99 ± 0.18 Å3 |
Cell temperature | 200.15 K |
Ambient diffraction temperature | 200.15 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 | 0.1828 |
Residual factor for significantly intense reflections | 0.1721 |
Weighted residual factors for significantly intense reflections | 0.4645 |
Weighted residual factors for all reflections included in the refinement | 0.4711 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.168 |
Diffraction radiation wavelength | 1.54184 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/4519265.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.