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Information card for entry 7051184
Preview
Coordinates | 7051184.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (EDT-TTF-CN), (I3) |
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Chemical name | Bis (3-cyano -3',4'-ethylenedithiotetrathiafulvalene, triiodide) |
Formula | C9 H5 I3 N S6 |
Calculated formula | C9 H5 I3 N S6 |
Title of publication | Cation radical salts of cyano(ethylenedithio)tetrathiafulvalene with halogenated anions: annihilation of the CN···Hal interaction and stabilisation of conducting, antiferromagnetic square or chain-type salts |
Authors of publication | Thomas Devic; Josep N. Bertran; Benoît Domercq; Enric Canadell; Narcis Avarvari; Pascale Auban-Senzier; Marc Fourmigué |
Journal of publication | New J. Chem. |
Year of publication | 2001 |
Journal volume | 25 |
Journal issue | 11 |
Pages of publication | 1418 - 1424 |
a | 7.9359 ± 0.0016 Å |
b | 9.4229 ± 0.0019 Å |
c | 11.957 ± 0.002 Å |
α | 99.04 ± 0.03° |
β | 94.56 ± 0.03° |
γ | 103.7 ± 0.03° |
Cell volume | 851.5 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0538 |
Residual factor for significantly intense reflections | 0.0254 |
Weighted residual factors for significantly intense reflections | 0.045 |
Weighted residual factors for all reflections included in the refinement | 0.0505 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.718 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7051184.html
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