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Information card for entry 4003971
Preview
| Coordinates | 4003971.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C132 H168 I30 N12 Pb9 S24 |
|---|---|
| Calculated formula | C132 H168 I30 N12 Pb9 S24 |
| 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 | 37.2172 ± 0.0007 Å |
| b | 8.5262 ± 0.0001 Å |
| c | 38.7318 ± 0.0008 Å |
| α | 90° |
| β | 117.507 ± 0.002° |
| γ | 90° |
| Cell volume | 10901 ± 0.4 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 | 0.1041 |
| Residual factor for significantly intense reflections | 0.0691 |
| Weighted residual factors for significantly intense reflections | 0.1801 |
| Weighted residual factors for all reflections included in the refinement | 0.2107 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| 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 |
|---|---|---|---|
| 266792 (current) | 2021-06-30 | cif/ Adding structures of 4003971 via cif-deposit CGI script. |
4003971.cif |
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