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Information card for entry 7224339
Preview
Coordinates | 7224339.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H16 N O4 S6 |
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Calculated formula | C17 H16 N O4 S6 |
Title of publication | Effect of conjugated structures of bipyridinium cations on ion assembly and charge-transfer of their tetrathiafulvalene-bicarboxylate salts |
Authors of publication | Huo, Peng; Li, Yan-Hong; Xue, Li-Jun; Chen, Ting; Yu, Lei; Zhu, Qin-Yu; Dai, Jie |
Journal of publication | CrystEngComm |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 11 |
Pages of publication | 1904 |
a | 7.5801 ± 0.0015 Å |
b | 11.601 ± 0.002 Å |
c | 12.317 ± 0.003 Å |
α | 89.25 ± 0.03° |
β | 74.54 ± 0.03° |
γ | 88.44 ± 0.03° |
Cell volume | 1043.5 ± 0.4 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 | 0.0629 |
Residual factor for significantly intense reflections | 0.0388 |
Weighted residual factors for significantly intense reflections | 0.0926 |
Weighted residual factors for all reflections included in the refinement | 0.1025 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
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/7224339.html
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structural data.