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Information card for entry 4002918
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4002918.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 2,3,-dichloro-5,6-dicyanobenzoquinone 4,6-dimethyldibenzothiophene |
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Formula | C22 H12 Cl2 N2 O2 S |
Calculated formula | C22 H12 Cl2 N2 O2 S |
Title of publication | Quaternary Charge-Transfer Solid Solutions: Electronic Tunability through Stoichiometry |
Authors of publication | Wiscons, Ren A.; Coropceanu, Veaceslav; Matzger, Adam J. |
Journal of publication | Chemistry of Materials |
Year of publication | 2019 |
Journal volume | 31 |
Journal issue | 17 |
Pages of publication | 6598 |
a | 6.57483 ± 0.00012 Å |
b | 18.364 ± 0.0003 Å |
c | 16.5153 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1994.06 ± 0.05 Å3 |
Cell temperature | 298.62 ± 0.1 K |
Ambient diffraction temperature | 298.62 ± 0.1 K |
Number of distinct elements | 6 |
Space group number | 36 |
Hermann-Mauguin space group symbol | C m c 21 |
Hall space group symbol | C 2c -2 |
Residual factor for all reflections | 0.0244 |
Residual factor for significantly intense reflections | 0.0238 |
Weighted residual factors for significantly intense reflections | 0.0619 |
Weighted residual factors for all reflections included in the refinement | 0.0622 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
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/4002918.html
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