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Information card for entry 7234186
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Coordinates | 7234186.cif |
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Original paper (by DOI) | HTML |
Formula | C43 H49 Cl4 N Si2 |
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Calculated formula | C43 H49 Cl4 N Si2 |
Title of publication | Tuning the ambipolar charge transport properties of N-heteropentacenes by their frontier molecular orbital energy levels |
Authors of publication | Ke Liu; Cheng-Li Song; Ye-Cheng Zhou; Xing-Yu Zhou; Xiao-Jun Pan; Lu-Ya Cao; Cheng Zhang; Yu Liu; Xiong Gong; Hao-Li Zhang |
Journal of publication | Journal of Materials Chemistry C |
Year of publication | 2015 |
Journal volume | 3 |
Pages of publication | 4188 - 4196 |
a | 7.994 ± 0.003 Å |
b | 15.365 ± 0.006 Å |
c | 17.559 ± 0.007 Å |
α | 79.498 ± 0.004° |
β | 88.511 ± 0.004° |
γ | 89.775 ± 0.004° |
Cell volume | 2119.9 ± 1.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1837 |
Residual factor for significantly intense reflections | 0.0941 |
Weighted residual factors for significantly intense reflections | 0.1875 |
Weighted residual factors for all reflections included in the refinement | 0.2213 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
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/7234186.html
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Users of the data should acknowledge the original authors of the
structural data.