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Information card for entry 4003967
Preview
| Coordinates | 4003967.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H44 I7 N3 O Pb2 S6 |
|---|---|
| Calculated formula | C33 H44 I7 N3 O Pb2 S6 |
| 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 | 15.4912 ± 0.0002 Å |
| b | 8.3769 ± 0.0001 Å |
| c | 40.0997 ± 0.0005 Å |
| α | 90° |
| β | 91.93 ± 0.001° |
| γ | 90° |
| Cell volume | 5200.72 ± 0.11 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 7 |
| 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 | 0.0535 |
| Residual factor for significantly intense reflections | 0.042 |
| Weighted residual factors for significantly intense reflections | 0.0963 |
| Weighted residual factors for all reflections included in the refinement | 0.103 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 266788 (current) | 2021-06-30 | cif/ Adding structures of 4003967 via cif-deposit CGI script. |
4003967.cif |
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