Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7233823
Preview
| Coordinates | 7233823.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H20 N2 O3 |
|---|---|
| Calculated formula | C17 H20 N2 O3 |
| Title of publication | Interacting networks of purely organic spin-1/2 dimers |
| Authors of publication | Yulia B. Borozdina; Evgeny Mostovich; Volker Enkelmann; Bernd Wolf; Pham T. Cong; Ulrich Tutsch; Michael Lang; Martin Baumgarten |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2014 |
| Journal volume | 2 |
| Pages of publication | 6618 - 6629 |
| a | 13.045 ± 0.0005 Å |
| b | 8.447 ± 0.0004 Å |
| c | 13.703 ± 0.0005 Å |
| α | 90° |
| β | 91.593 ± 0.0012° |
| γ | 90° |
| Cell volume | 1509.37 ± 0.11 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 n 1 |
| Hall space group symbol | P -2yac |
| Residual factor for all reflections | 0.2194 |
| Residual factor for significantly intense reflections | 0.0941 |
| Weighted residual factors for all reflections | 0.2797 |
| Weighted residual factors for significantly intense reflections | 0.0942 |
| Weighted residual factors for all reflections included in the refinement | 0.0942 |
| Goodness-of-fit parameter for all reflections included in the refinement | 5.6334 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 218253 (current) | 2019-09-13 | cif/ Adding structures of 7233823 via cif-deposit CGI script. |
7233823.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.