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Information card for entry 1571506
Preview
| Coordinates | 1571506.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H13 F13 N4 Sb4 |
|---|---|
| Calculated formula | C10 H13 F13 N4 Sb4 |
| Title of publication | [(C<sub>5</sub>H<sub>6</sub>N<sub>2</sub>)<sub>2</sub>H](Sb<sub>4</sub>F<sub>13</sub>): a polyfluoroantimonite with a strong second harmonic generation effect. |
| Authors of publication | Wu, Jia-Hang; Hu, Chun-Li; Li, Ya-Feng; Mao, Jiang-Gao; Kong, Fang |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 21 |
| Pages of publication | 8071 - 8079 |
| a | 7.2222 ± 0.0003 Å |
| b | 8.1293 ± 0.0004 Å |
| c | 10.3779 ± 0.0004 Å |
| α | 101.002 ± 0.004° |
| β | 105.247 ± 0.004° |
| γ | 106.829 ± 0.004° |
| Cell volume | 538.65 ± 0.05 Å3 |
| Cell temperature | 250 ± 0.1 K |
| Ambient diffraction temperature | 250 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0261 |
| Residual factor for significantly intense reflections | 0.0244 |
| Weighted residual factors for significantly intense reflections | 0.0486 |
| Weighted residual factors for all reflections included in the refinement | 0.0504 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 292933 (current) | 2024-07-05 | cif/ Updating files of 1571505, 1571506 Original log message: Adding full bibliography for 1571505--1571506.cif. |
1571506.cif |
| 291419 | 2024-05-01 | cif/ Adding structures of 1571505, 1571506 via cif-deposit CGI script. |
1571506.cif |
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Users of the data should acknowledge the original authors of the
structural data.