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Information card for entry 4325014
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Coordinates | 4325014.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H16 Br S8 |
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Calculated formula | C18 H16 Br 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 | 6.3441 ± 0.0002 Å |
b | 7.3344 ± 0.0003 Å |
c | 12.5028 ± 0.0004 Å |
α | 73.415 ± 0.003° |
β | 83.968 ± 0.002° |
γ | 72.264 ± 0.003° |
Cell volume | 530.95 ± 0.03 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 | 0.0324 |
Residual factor for significantly intense reflections | 0.0239 |
Weighted residual factors for significantly intense reflections | 0.0521 |
Weighted residual factors for all reflections included in the refinement | 0.0555 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
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/4325014.html
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Users of the data should acknowledge the original authors of the
structural data.