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Information card for entry 4003970
Preview
| Coordinates | 4003970.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H28 Br4 N2 Pb S4 |
|---|---|
| Calculated formula | C22 H28 Br4 N2 Pb S4 |
| Title of publication | Directing the Self-Assembly of Conjugated Organic Ammonium Cations in Low-Dimensional Perovskites by Halide Substitution |
| Authors of publication | Denis, Paul-Henry; Mertens, Martijn; Van Gompel, Wouter T. M.; Van Hecke, Kristof; Ruttens, Bart; D’Haen, Jan; Lutsen, Laurence; Vanderzande, Dirk |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2021 |
| a | 23.5063 ± 0.0005 Å |
| b | 7.7046 ± 0.0002 Å |
| c | 8.2879 ± 0.0002 Å |
| α | 90° |
| β | 91.33 ± 0.002° |
| γ | 90° |
| Cell volume | 1500.59 ± 0.06 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0353 |
| Residual factor for significantly intense reflections | 0.0281 |
| Weighted residual factors for significantly intense reflections | 0.0661 |
| Weighted residual factors for all reflections included in the refinement | 0.0706 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 266791 (current) | 2021-06-30 | cif/ Adding structures of 4003970 via cif-deposit CGI script. |
4003970.cif |
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Users of the data should acknowledge the original authors of the
structural data.