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Information card for entry 7132230
Preview
| Coordinates | 7132230.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C5 H13 Br4 F Fe N |
|---|---|
| Calculated formula | C5 H13 Br4 F Fe N |
| Title of publication | An organic-inorganic hybrid material [Me3NCH2CH2F]FeBr4 exhibits three-step SHG on/off |
| Authors of publication | Zhang, Haina; Wang, Lingyu; Guo, Wenjing; Cai, Hu; Wei, Zhenhong |
| Journal of publication | Chemical Communications |
| Year of publication | 2023 |
| a | 15.0498 ± 0.0016 Å |
| b | 16.3256 ± 0.0016 Å |
| c | 10.718 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2633.4 ± 0.5 Å3 |
| Cell temperature | 290 ± 2 K |
| Ambient diffraction temperature | 290 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 36 |
| Hermann-Mauguin space group symbol | C m c 21 |
| Hall space group symbol | C 2c -2 |
| Residual factor for all reflections | 0.0708 |
| Residual factor for significantly intense reflections | 0.0567 |
| Weighted residual factors for significantly intense reflections | 0.1534 |
| Weighted residual factors for all reflections included in the refinement | 0.1612 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287021 (current) | 2023-10-19 | cif/ Adding structures of 7132230, 7132231 via cif-deposit CGI script. |
7132230.cif |
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