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Information card for entry 4135459
Preview
| Coordinates | 4135459.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H24 N2 O14 Rb2 |
|---|---|
| Calculated formula | C20 H24 N2 O14 Rb2 |
| Title of publication | Crystal Lattice Design of H2O-Tolerant n-Type Semiconducting Dianionic Naphthalenediimide Derivatives |
| Authors of publication | Abe, Haruka; Kawasaki, Ayumi; Takeda, Takashi; Hoshino, Norihisa; Matsuda, Wakana; Seki, Shu; Akutagawa, Tomoyuki |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| a | 5.8795 ± 0.0003 Å |
| b | 6.8242 ± 0.0004 Å |
| c | 17.4352 ± 0.0009 Å |
| α | 81.502 ± 0.006° |
| β | 88.355 ± 0.006° |
| γ | 63.886 ± 0.005° |
| Cell volume | 620.72 ± 0.06 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0473 |
| Residual factor for significantly intense reflections | 0.0438 |
| Weighted residual factors for significantly intense reflections | 0.1121 |
| Weighted residual factors for all reflections included in the refinement | 0.1144 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 260306 (current) | 2021-01-01 | cif/ Adding structures of 4135459 via cif-deposit CGI script. |
4135459.cif |
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