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Information card for entry 4003915
Preview
| Coordinates | 4003915.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C7 H14 N O4 Re |
|---|---|
| Calculated formula | C7 H14 N O4 Re |
| Title of publication | High-Temperature Switchable Nonlinear Optical and Dielectric Material Revealed by Molecular Modification |
| Authors of publication | Xie, Yongfa; Zheng, Jingjing; Zheng, Kuangqi; Liu, Qing; Duan, Jie; Chen, Wei; Shao, Shuke; Cai, Hu |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2021 |
| a | 6.2799 ± 0.0004 Å |
| b | 9.0158 ± 0.0005 Å |
| c | 8.7582 ± 0.0006 Å |
| α | 90° |
| β | 92.448 ± 0.006° |
| γ | 90° |
| Cell volume | 495.42 ± 0.05 Å3 |
| Cell temperature | 300 K |
| Ambient diffraction temperature | 300 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0424 |
| Residual factor for significantly intense reflections | 0.0348 |
| Weighted residual factors for significantly intense reflections | 0.0643 |
| Weighted residual factors for all reflections included in the refinement | 0.0662 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.943 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 264489 (current) | 2021-04-24 | cif/ Adding structures of 4003915 via cif-deposit CGI script. |
4003915.cif |
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Users of the data should acknowledge the original authors of the
structural data.