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Information card for entry 7246080
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Coordinates | 7246080.cif |
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Original paper (by DOI) | HTML |
Common name | TCNQF2, Triphenylene |
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Chemical name | 7,7,8,8-tetracyanoquinodimethane, 9,10-Benzophenanthrene Isochrysene Benzo[l]phenanthrene |
Formula | C30 H14 F2 N4 |
Calculated formula | C30 H14 F2 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 | 9.4 ± 0.2 Å |
b | 7.18 ± 0.05 Å |
c | 32.2 ± 0.2 Å |
α | 90° |
β | 98.4 ± 0.5° |
γ | 90° |
Cell volume | 2150 ± 5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.373 |
Residual factor for significantly intense reflections | 0.3066 |
Weighted residual factors for significantly intense reflections | 0.6648 |
Weighted residual factors for all reflections included in the refinement | 0.7159 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.156 |
Diffraction radiation wavelength | 0.0335 Å |
Diffraction radiation type | electron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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