Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4325015
Preview
Coordinates | 4325015.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H16 I S8 |
---|---|
Calculated formula | C18 H16 I S8 |
Title of publication | Syntheses, Crystal Structures, Transport Properties and First-Principles Electronic Structure Study of the (tTTF)2X (X = Br, I) Low-Dimensional Antiferromagnets |
Authors of publication | Marc Fourmigué; Eric W. Reinheimer; Ali Assaf; Olivier Jeannin; Ali Saad; Pascale Auban-Senzier; Pere Alemany; Antonio Rodríguez-Fortea; Enric Canadell |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 4171 - 4181 |
a | 6.3911 ± 0.0003 Å |
b | 7.3621 ± 0.0004 Å |
c | 12.7704 ± 0.0006 Å |
α | 73.978 ± 0.003° |
β | 85.998 ± 0.004° |
γ | 72.096 ± 0.003° |
Cell volume | 549.49 ± 0.05 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0219 |
Residual factor for significantly intense reflections | 0.0191 |
Weighted residual factors for significantly intense reflections | 0.0473 |
Weighted residual factors for all reflections included in the refinement | 0.0494 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.134 |
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/4325015.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.