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Information card for entry 7233825
Preview
| Coordinates | 7233825.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H16 N2 O2 |
|---|---|
| Calculated formula | C14 H16 N2 O2 |
| 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 | 6.0834 ± 0.0004 Å |
| b | 11.2581 ± 0.0005 Å |
| c | 19.1236 ± 0.0009 Å |
| α | 90° |
| β | 90.832 ± 0.003° |
| γ | 90° |
| Cell volume | 1309.59 ± 0.12 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0739 |
| Residual factor for significantly intense reflections | 0.0453 |
| Weighted residual factors for all reflections | 0.0592 |
| Weighted residual factors for significantly intense reflections | 0.055 |
| Weighted residual factors for all reflections included in the refinement | 0.055 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0812 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 218255 (current) | 2019-09-13 | cif/ Adding structures of 7233825 via cif-deposit CGI script. |
7233825.cif |
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Users of the data should acknowledge the original authors of the
structural data.