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Information card for entry 4003300
Preview
| Coordinates | 4003300.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C3 H10 Cl3 N Sn |
|---|---|
| Calculated formula | C3 H9 Cl3 N Sn |
| Title of publication | Crystallographic Investigations into Properties of Acentric Hybrid Perovskite Single Crystals NH(CH3)3SnX3 (X = Cl, Br) |
| Authors of publication | Dang, Yangyang; Zhong, Cheng; Zhang, Guodong; Ju, Dianxing; Wang, Lei; Xia, Shengqing; Xia, Haibing; Tao, Xutang |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2016 |
| Journal volume | 28 |
| Journal issue | 19 |
| Pages of publication | 6968 |
| a | 9.476 ± 0.005 Å |
| b | 8.29 ± 0.005 Å |
| c | 12.34 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 90 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 969.4 ± 0.9 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 5 |
| 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 | 0.0177 |
| Residual factor for significantly intense reflections | 0.0171 |
| Weighted residual factors for significantly intense reflections | 0.0432 |
| Weighted residual factors for all reflections included in the refinement | 0.0435 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 231504 (current) | 2019-11-22 | cif/ Adding structures of 4003300 via cif-deposit CGI script. |
4003300.cif |
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Users of the data should acknowledge the original authors of the
structural data.