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Information card for entry 7713319
Preview
| Coordinates | 7713319.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H27.23 Br6 N3 O S Sb |
|---|---|
| Calculated formula | C18.01 H27.232 Br6 N3 O S Sb |
| Title of publication | Second harmonic generation from symmetry breaking stimulated by mixed organic cations in zero-dimensional hybrid metal halides. |
| Authors of publication | Cao, Jindong; Liu, Kunjie; Quan, Mingzhen; Hou, An; Jiang, Xingxing; Lin, Zheshuai; Zhao, Jing; Liu, Quanlin |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2023 |
| a | 9.9212 ± 0.0003 Å |
| b | 16.2506 ± 0.0005 Å |
| c | 17.7298 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2858.5 ± 0.15 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 7 |
| 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 | 0.0472 |
| Residual factor for significantly intense reflections | 0.0421 |
| Weighted residual factors for significantly intense reflections | 0.1102 |
| Weighted residual factors for all reflections included in the refinement | 0.1132 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284633 (current) | 2023-06-29 | cif/ Adding structures of 7713318, 7713319 via cif-deposit CGI script. |
7713319.cif |
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