Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4135461
Preview
| Coordinates | 4135461.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H12 N2 O9.33 Rb2 |
|---|---|
| Calculated formula | C20 H12 N2 O9.33333 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 | 7.5163 ± 0.0004 Å |
| b | 12.556 ± 0.0007 Å |
| c | 16.8507 ± 0.0009 Å |
| α | 83.769 ± 0.006° |
| β | 81.148 ± 0.006° |
| γ | 80.127 ± 0.006° |
| Cell volume | 1542.54 ± 0.15 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 | 0.0718 |
| Residual factor for significantly intense reflections | 0.06 |
| Weighted residual factors for significantly intense reflections | 0.1644 |
| Weighted residual factors for all reflections included in the refinement | 0.1726 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 260308 (current) | 2021-01-01 | cif/ Adding structures of 4135461 via cif-deposit CGI script. |
4135461.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.