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Information card for entry 7129521
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| Coordinates | 7129521.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 H12 Cl3 Mn N O |
|---|---|
| Calculated formula | C4 H12 Cl3 Mn N O |
| Title of publication | Two-step nonlinear optical switch in a hydrogen-bonded perovskite-type crystal |
| Authors of publication | Hua, Xiu-Ni; Zhang, Wan-Ying; Shi, Ping-Ping |
| Journal of publication | Chemical Communications |
| Year of publication | 2022 |
| a | 6.5395 ± 0.0002 Å |
| b | 9.9821 ± 0.0003 Å |
| c | 14.8082 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 966.65 ± 0.05 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0145 |
| Residual factor for significantly intense reflections | 0.014 |
| Weighted residual factors for significantly intense reflections | 0.0377 |
| Weighted residual factors for all reflections included in the refinement | 0.0379 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.149 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271945 (current) | 2022-01-08 | cif/ Adding structures of 7129521, 7129522, 7129523 via cif-deposit CGI script. |
7129521.cif |
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