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Information card for entry 4002967
Preview
| Coordinates | 4002967.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H24 I3 N5 Pb |
|---|---|
| Calculated formula | C32 H24 I3 N5 Pb |
| Title of publication | Lead-Halide Perovskites Meet Donor‒Acceptor Charge-Transfer Complexes |
| Authors of publication | Marchal, Nadège; Van Gompel, Wouter; Gélvez-Rueda, María C.; Vandewal, Koen; Van Hecke, Kristof; Boyen, Hans-Gerd; Conings, Bert; Herckens, Roald; Maheshwari, Sudeep; Lutsen, Laurence; Quarti, Claudio; Grozema, Ferdinand C.; Vanderzande, Dirk; Beljonne, David |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2019 |
| Journal volume | 31 |
| Journal issue | 17 |
| Pages of publication | 6880 |
| a | 8.0302 ± 0.0002 Å |
| b | 42.395 ± 0.0009 Å |
| c | 9.439 ± 0.0002 Å |
| α | 90° |
| β | 97.458 ± 0.002° |
| γ | 90° |
| Cell volume | 3186.23 ± 0.13 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | I 1 a 1 |
| Hall space group symbol | I -2ya |
| Residual factor for all reflections | 0.0286 |
| Residual factor for significantly intense reflections | 0.026 |
| Weighted residual factors for significantly intense reflections | 0.0541 |
| Weighted residual factors for all reflections included in the refinement | 0.0556 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 220391 (current) | 2019-10-29 | cif/ Adding structures of 4002967 via cif-deposit CGI script. |
4002967.cif |
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Users of the data should acknowledge the original authors of the
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