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Information card for entry 1567028
Preview
| Coordinates | 1567028.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H14 Br2 N9 |
|---|---|
| Calculated formula | C30 H14 Br2 N9 |
| Title of publication | Semiconductive 2D arrays of pancake-bonded oligomers of partially charged TCNQ radicals |
| Authors of publication | Molčanov, Krešimir; Milašinović, Valentina; Kojić-Prodić, Biserka; Maltar-Strmečki, Nadica; You, Jiangyang; Šantić, Ana; Kanižaj, Lidija; Stilinović, Vladimir; Fotović, Luka |
| Journal of publication | IUCrJ |
| Year of publication | 2022 |
| Journal volume | 9 |
| Journal issue | 4 |
| a | 6.6911 ± 0.0002 Å |
| b | 7.8201 ± 0.0003 Å |
| c | 27.6491 ± 0.0006 Å |
| α | 97.673 ± 0.002° |
| β | 90.168 ± 0.002° |
| γ | 108.973 ± 0.003° |
| Cell volume | 1354.23 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0472 |
| Residual factor for significantly intense reflections | 0.0434 |
| Weighted residual factors for all reflections included in the refinement | 0.1177 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275679 (current) | 2022-05-28 | cif/ Adding structures of 1567020, 1567021, 1567022, 1567023, 1567024, 1567025, 1567026, 1567027, 1567028, 1567029, 1567030, 1567031, 1567032, 1567033, 1567034, 1567035, 1567036, 1567037 via cif-deposit CGI script. |
1567028.cif |
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Users of the data should acknowledge the original authors of the
structural data.