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Information card for entry 8000410
Preview
Coordinates | 8000410.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H20 Cl4 N4 O2 S4 |
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Calculated formula | C40 H20 Cl4 N4 O2 S4 |
Title of publication | Incorporating Spacer Molecules into the Tetrathiafulvalene-p-Chloranil Charge-Transfer Framework: Modulating the Neutral-Ionic Phase Transition. |
Authors of publication | Takahashi, Yukihiro; Takehisa, Mika; Tanaka, Eri; Harada, Jun; Kumai, Reiji; Inabe, Tamotsu |
Journal of publication | The journal of physical chemistry letters |
Year of publication | 2020 |
Pages of publication | 1336 |
a | 7.5454 ± 0.0004 Å |
b | 7.6338 ± 0.0004 Å |
c | 30.5119 ± 0.0016 Å |
α | 85.5906 ± 0.0007° |
β | 89.9846 ± 0.0008° |
γ | 88.0361 ± 0.0008° |
Cell volume | 1751.25 ± 0.16 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0349 |
Residual factor for significantly intense reflections | 0.0317 |
Weighted residual factors for significantly intense reflections | 0.0755 |
Weighted residual factors for all reflections included in the refinement | 0.0776 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
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/8000410.html
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structural data.