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Information card for entry 7245202
Preview
| Coordinates | 7245202.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H18 Cl4 Cu N2 |
|---|---|
| Calculated formula | C6 H18 Cl4 Cu N2 |
| Title of publication | Phase transition, thermal stability, and molecular dynamics of organic–inorganic hybrid perovskite [NH3(CH2)6NH3]CuCl4 crystals |
| Authors of publication | Choi, Moon Young; Lee, Seon Ju; Ju, Huiyeong; Lim, Ae Ran |
| Journal of publication | RSC Advances |
| Year of publication | 2022 |
| Journal volume | 12 |
| Journal issue | 32 |
| Pages of publication | 20679 - 20685 |
| a | 7.2224 ± 0.0006 Å |
| b | 7.6112 ± 0.0006 Å |
| c | 23.3315 ± 0.0018 Å |
| α | 90° |
| β | 91.93 ± 0.002° |
| γ | 90° |
| Cell volume | 1281.83 ± 0.18 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0793 |
| Residual factor for significantly intense reflections | 0.051 |
| Weighted residual factors for significantly intense reflections | 0.1214 |
| Weighted residual factors for all reflections included in the refinement | 0.1407 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276881 (current) | 2022-07-23 | cif/ Adding structures of 7245202 via cif-deposit CGI script. |
7245202.cif |
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Users of the data should acknowledge the original authors of the
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