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Information card for entry 2312857
Preview
| Coordinates | 2312857.cif |
|---|---|
| Structure factors | 2312857.hkl |
| Original paper (by DOI) | HTML |
| Formula | C4 H16 Cl4 Co N2 |
|---|---|
| Calculated formula | C4 H7 Cl4 Co N2 |
| Title of publication | Effect of the transition metal on the structure and order-disorder phase transition in layered hybrid metal halides (CH<sub>3</sub>CH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>[MCl<sub>4</sub>] (M = Mn and Co). |
| Authors of publication | Jakhi, Shatakshi S.; Dhanetwal, Meenal; Reddy, V. Raghavendra; Hathwar, Venkatesha R. |
| Journal of publication | Acta crystallographica Section B, Structural science, crystal engineering and materials |
| Year of publication | 2025 |
| Journal volume | 81 |
| Journal issue | 3 |
| a | 10.0173 ± 0.0005 Å |
| b | 7.4027 ± 0.0004 Å |
| c | 17.5837 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1303.92 ± 0.11 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 5 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0864 |
| Residual factor for significantly intense reflections | 0.0619 |
| Weighted residual factors for significantly intense reflections | 0.1861 |
| Weighted residual factors for all reflections included in the refinement | 0.2077 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299862 (current) | 2025-05-29 | cif/ hkl/ Adding structures of 2312855, 2312856, 2312857, 2312858 via cif-deposit CGI script. |
2312857.cif 2312857.hkl |
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