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Information card for entry 7204739
Preview
Coordinates | 7204739.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (AcOPM-EDSTTF)2-TCNQ |
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Formula | C23 H16 N2 O2 S4 Se2 |
Calculated formula | C23 H16 N2 O2 S4 Se2 |
Title of publication | Structural study and electrical conductivity of salts based on functionalized TTF containing peripheral selenium atomsElectronic supplementary information (ESI) available: rotatable 3-D crystal structure diagrams and a table of selected torsion angles for Ic?e and (Ic)2?TCNQ. See http://www.rsc.org/suppdata/jm/b3/b308514g/ |
Authors of publication | Kaboub, Lakhemici; Legros, Jean-Pierre; Donnadieu, Bruno; Gouasmia, Abdel-Krim; Boudiba, Louiza; Fabre, Jean-Marc |
Journal of publication | Journal of Materials Chemistry |
Year of publication | 2004 |
Journal volume | 14 |
Journal issue | 3 |
Pages of publication | 351 |
a | 30.154 ± 0.008 Å |
b | 4.052 ± 0.004 Å |
c | 39.317 ± 0.009 Å |
α | 90° |
β | 91.4 ± 0.03° |
γ | 90° |
Cell volume | 4802 ± 5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | I 1 2/a 1 |
Hall space group symbol | -I 2ya |
Residual factor for all reflections | 0.1119 |
Residual factor for significantly intense reflections | 0.0484 |
Weighted residual factors for significantly intense reflections | 0.1073 |
Weighted residual factors for all reflections included in the refinement | 0.1309 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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