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Information card for entry 7245643
Preview
| Coordinates | 7245643.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H18 Br4 N2 Zn |
|---|---|
| Calculated formula | C6 H18 Br4 N2 Zn |
| Title of publication | Organic–inorganic hybrid [NH3(CH2)6NH3]ZnBr4 crystal: structural characterization, phase transitions, thermal properties, and structural dynamics |
| Authors of publication | Lim, Ae Ran; Ju, Huiyeong |
| Journal of publication | RSC Advances |
| Year of publication | 2022 |
| Journal volume | 12 |
| Journal issue | 44 |
| Pages of publication | 28720 - 28727 |
| a | 7.7833 ± 0.0002 Å |
| b | 14.5312 ± 0.0004 Å |
| c | 13.2396 ± 0.0003 Å |
| α | 90° |
| β | 90.865 ± 0.001° |
| γ | 90° |
| Cell volume | 1497.24 ± 0.07 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0421 |
| Residual factor for significantly intense reflections | 0.03 |
| Weighted residual factors for significantly intense reflections | 0.0633 |
| Weighted residual factors for all reflections included in the refinement | 0.0677 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278520 (current) | 2022-10-11 | cif/ Adding structures of 7245643 via cif-deposit CGI script. |
7245643.cif |
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Users of the data should acknowledge the original authors of the
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