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Information card for entry 7243059
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Coordinates | 7243059.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | PFC-77 |
---|---|
Formula | C34 H20 O8 S4 |
Calculated formula | C34 H20 O8 S4 |
Title of publication | Single-crystal-to-single-crystal transformation of tetrathiafulvalene-based hydrogen-bonded organic frameworks |
Authors of publication | Gao, Xiang-Yu; Li, Yu-Lin; Liu, Tian-Fu; Huang, Xin-Song; Cao, Rong |
Journal of publication | CrystEngComm |
Year of publication | 2021 |
Journal volume | 23 |
Journal issue | 27 |
Pages of publication | 4743 - 4747 |
a | 8.4537 ± 0.0017 Å |
b | 14.128 ± 0.003 Å |
c | 18.021 ± 0.004 Å |
α | 106.291 ± 0.009° |
β | 97.991 ± 0.009° |
γ | 103.267 ± 0.01° |
Cell volume | 1962.5 ± 0.7 Å3 |
Cell temperature | 149.99 K |
Ambient diffraction temperature | 149.99 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 | 0.2914 |
Residual factor for significantly intense reflections | 0.1694 |
Weighted residual factors for significantly intense reflections | 0.4085 |
Weighted residual factors for all reflections included in the refinement | 0.4897 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.442 |
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/7243059.html
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Users of the data should acknowledge the original authors of the
structural data.