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Information card for entry 7246079
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Coordinates | 7246079.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | triphenylene-TCNQ |
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Formula | C30 H16 N4 |
Calculated formula | C30 H16 N4 |
Title of publication | The crystal structure and electronic properties of three novel charge transfer co-crystals TCNQFn–triphenylene (n = 0, 2, 4) |
Authors of publication | Payne, Simon; Andrusenko, Iryna; Papi, Francesco; Potticary, Jason; Gemmi, Mauro; Hall, Simon R. |
Journal of publication | CrystEngComm |
Year of publication | 2023 |
Journal volume | 25 |
Journal issue | 5 |
Pages of publication | 828 - 834 |
a | 6.8 ± 0.1 Å |
b | 11.2 ± 0.2 Å |
c | 17.7 ± 0.4 Å |
α | 78.4 ± 0.5° |
β | 83.9 ± 0.5° |
γ | 72.9 ± 0.5° |
Cell volume | 1261 ± 4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.502 |
Residual factor for significantly intense reflections | 0.4104 |
Weighted residual factors for significantly intense reflections | 0.6773 |
Weighted residual factors for all reflections included in the refinement | 0.7287 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.925 |
Diffraction radiation wavelength | 0.0335 Å |
Diffraction radiation type | electron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7246079.html
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