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Information card for entry 4003969
Preview
| Coordinates | 4003969.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H28 Cl4 N2 Pb S4 |
|---|---|
| Calculated formula | C22 H28 Cl4 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 | 24.774 ± 0.0005 Å |
| b | 7.35765 ± 0.00014 Å |
| c | 7.86657 ± 0.00015 Å |
| α | 90° |
| β | 91.5692 ± 0.0018° |
| γ | 90° |
| Cell volume | 1433.37 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0343 |
| Residual factor for significantly intense reflections | 0.0265 |
| Weighted residual factors for significantly intense reflections | 0.0632 |
| Weighted residual factors for all reflections included in the refinement | 0.0681 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 266790 (current) | 2021-06-30 | cif/ Adding structures of 4003969 via cif-deposit CGI script. |
4003969.cif |
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Users of the data should acknowledge the original authors of the
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