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Information card for entry 7711442
Preview
| Coordinates | 7711442.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H20 Br0.4 I3.6 N6 O4 Pb |
|---|---|
| Calculated formula | C12 H20 Br0.4 I3.6 N6 O4 Pb |
| Title of publication | Chiral 2D organic-inorganic hybrid perovskites based upon L-histidine |
| Authors of publication | Sirenko, Valerii Y.; Kucheriv, Olesia I.; Gumienna-Kontecka, Elzbieta; Shova, Sergiu; Gural'skiy, Il'ya A. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 8.1236 ± 0.0009 Å |
| b | 9.4686 ± 0.0009 Å |
| c | 15.3633 ± 0.0019 Å |
| α | 90° |
| β | 95.658 ± 0.011° |
| γ | 90° |
| Cell volume | 1176 ± 0.2 Å3 |
| Cell temperature | 227 ± 40 K |
| Ambient diffraction temperature | 227 ± 40 K |
| Number of distinct elements | 7 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0798 |
| Residual factor for significantly intense reflections | 0.0499 |
| Weighted residual factors for significantly intense reflections | 0.1054 |
| Weighted residual factors for all reflections included in the refinement | 0.1112 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.935 |
| 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 |
|---|---|---|---|
| 278373 (current) | 2022-10-06 | cif/ Adding structures of 7711440, 7711441, 7711442 via cif-deposit CGI script. |
7711442.cif |
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