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Information card for entry 7712609
Preview
| Coordinates | 7712609.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12.5 H16 Bi2 I10 N2 O0.5 |
|---|---|
| Calculated formula | C12.5 H16 Bi2 I10 N2 O0.5 |
| Title of publication | Halogen Bonds Regulating Structures and Optical Properties of Hybrid Iodobismuthate Perovskites |
| Authors of publication | Li, Ao; Wu, Mengling; Zhang, Junle; Song, Fahui; Pan, Fangfang |
| Journal of publication | Dalton Transactions |
| Year of publication | 2023 |
| a | 7.7329 ± 0.0016 Å |
| b | 10.364 ± 0.002 Å |
| c | 11.706 ± 0.002 Å |
| α | 70.549 ± 0.003° |
| β | 81.104 ± 0.003° |
| γ | 88.664 ± 0.003° |
| Cell volume | 873.6 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0583 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for significantly intense reflections | 0.0975 |
| Weighted residual factors for all reflections included in the refinement | 0.1064 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281877 (current) | 2023-03-15 | cif/ Adding structures of 7712608, 7712609 via cif-deposit CGI script. |
7712609.cif |
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Users of the data should acknowledge the original authors of the
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