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Information card for entry 7130349
Preview
| Coordinates | 7130349.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 I3 N6 Rb |
|---|---|
| Calculated formula | C8 I3 N6 Rb |
| Title of publication | Precise design and preparation of two 3D organic−inorganic perovskite ferroelectrics (1,5-diazabicyclo[3.2.2]nonane)RbX3 (X = Br, I) |
| Authors of publication | Han, Keke; Zhang, Mengxia; Wei, Zhenhong; Ye, Xing; Rao, Wenjun; Zhang, Haina; Cai, Hu |
| Journal of publication | Chemical Communications |
| Year of publication | 2022 |
| a | 7.4069 ± 0.0006 Å |
| b | 7.4069 ± 0.0006 Å |
| c | 7.4069 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 406.36 ± 0.06 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 221 |
| Hermann-Mauguin space group symbol | P m -3 m |
| Hall space group symbol | -P 4 2 3 |
| Residual factor for all reflections | 0.0414 |
| Residual factor for significantly intense reflections | 0.0362 |
| Weighted residual factors for significantly intense reflections | 0.094 |
| Weighted residual factors for all reflections included in the refinement | 0.0972 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.201 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276788 (current) | 2022-07-23 | cif/ Adding structures of 7130349, 7130350, 7130351 via cif-deposit CGI script. |
7130349.cif |
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Users of the data should acknowledge the original authors of the
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