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Information card for entry 7243354
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Coordinates | 7243354.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | HPyB-TCNQ |
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Formula | C78 H38 N20 |
Calculated formula | C78 H38 N20 |
Title of publication | Charge-transfer crystal with segregated packing structure constructed with hexaarylbenzene and tetracyanoquinodimethane |
Authors of publication | Ando, Rempei; Jin, Mingoo; Ito, Hajime |
Journal of publication | CrystEngComm |
Year of publication | 2021 |
Journal volume | 23 |
Journal issue | 33 |
Pages of publication | 5564 - 5568 |
a | 7.7083 ± 0.0002 Å |
b | 17.6112 ± 0.0005 Å |
c | 23.3347 ± 0.0004 Å |
α | 96.381 ± 0.002° |
β | 96.351 ± 0.002° |
γ | 94.418 ± 0.002° |
Cell volume | 3115.98 ± 0.13 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 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 | 0.1129 |
Residual factor for significantly intense reflections | 0.064 |
Weighted residual factors for significantly intense reflections | 0.1731 |
Weighted residual factors for all reflections included in the refinement | 0.2055 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7243354.html
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structural data.