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Information card for entry 7236812
Preview
| Coordinates | 7236812.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C47 H52 Br2 N2 O2 |
|---|---|
| Calculated formula | C47 H52 Br2 N2 O2 |
| Title of publication | Towards enhancing spin states in doped arylamine compounds through extended planarity of the spin coupling moieties |
| Authors of publication | Skórka, Łukasz; Mouesca, Jean-Marie; Gosk, Jacek B.; Puźniak, Roman; Pécaut, Jacques; Maurel, Vincent; Kulszewicz-Bajer, Irena |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2017 |
| Journal volume | 5 |
| Journal issue | 26 |
| Pages of publication | 6563 |
| a | 17.5869 ± 0.0009 Å |
| b | 11.4858 ± 0.0006 Å |
| c | 20.3691 ± 0.0013 Å |
| α | 90° |
| β | 92.352 ± 0.005° |
| γ | 90° |
| Cell volume | 4111.1 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1269 |
| Residual factor for significantly intense reflections | 0.0766 |
| Weighted residual factors for significantly intense reflections | 0.158 |
| Weighted residual factors for all reflections included in the refinement | 0.1851 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236533 (current) | 2019-11-24 | cif/ Adding structures of 7236812 via cif-deposit CGI script. |
7236812.cif |
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Users of the data should acknowledge the original authors of the
structural data.