Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4060207
Preview
| Coordinates | 4060207.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H19 N8 |
|---|---|
| Calculated formula | C24 H19 N8 |
| Title of publication | Proton Transfer and a Dielectric Phase Transition in the Molecular Conductor (HDABCO+)2(TCNQ)3 |
| Authors of publication | Tomoyuki Akutagawa; Sadamu Takeda; Tatsuo Hasegawa; Takayoshi Nakamura |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2004 |
| Journal volume | 126 |
| Pages of publication | 291 - 294 |
| a | 7.7607 ± 0.0004 Å |
| b | 10.097 ± 0.001 Å |
| c | 13.895 ± 0.001 Å |
| α | 89 ± 2° |
| β | 84.063 ± 0.003° |
| γ | 70.988 ± 0.003° |
| Cell volume | 1023.6 ± 0.2 Å3 |
| Cell temperature | 93.1 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.056 |
| Weighted residual factors for all reflections included in the refinement | 0.097 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.44 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
Version history is temporarily not available due to server issues.
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.