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Information card for entry 4004015
Preview
| Coordinates | 4004015.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H40 Bi2 Br12 N4 O4 Rb2 |
|---|---|
| Calculated formula | C16 H40 Bi2 Br12 N4 O4 Rb2 |
| Title of publication | Coexisting Ferroelectric and Ferroelastic Orders in Rare 3D Homochiral Hybrid Bimetal Halides |
| Authors of publication | He, Lei; Shi, Ping-Ping; Zhou, Lin; Liu, Zhi-Bo; Zhang, Wen; Ye, Qiong |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2021 |
| a | 8.7893 ± 0.0004 Å |
| b | 14.0924 ± 0.0007 Å |
| c | 9.6968 ± 0.0005 Å |
| α | 93.982 ± 0.004° |
| β | 67.441 ± 0.005° |
| γ | 92.837 ± 0.004° |
| Cell volume | 1106.15 ± 0.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0865 |
| Residual factor for significantly intense reflections | 0.0686 |
| Weighted residual factors for significantly intense reflections | 0.1603 |
| Weighted residual factors for all reflections included in the refinement | 0.1685 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267749 (current) | 2021-07-27 | cif/ Adding structures of 4004015 via cif-deposit CGI script. |
4004015.cif |
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