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Information card for entry 2312151
Preview
| Coordinates | 2312151.cif |
|---|---|
| Structure factors | 2312151.hkl |
| Original paper (by DOI) | HTML |
| Formula | C3 H16 Cl4 Mn N2 O2 |
|---|---|
| Calculated formula | C3 H16 Cl4 Mn N2 O2 |
| Title of publication | Synthesis, crystal structure and phase transitions of novel hybrid perovskite: bis(1,2-diaminopropane) di-μ-chloro-bis[diaquadichloromanganate(II)] dichloride. |
| Authors of publication | Abdel-Aal, Seham K; Souhassou, Mohamed; Durand, Pierrick; Lecomte, Claude; Abdel-Rahman, Ahmed S; Claiser, Nicolas |
| Journal of publication | Acta crystallographica Section B, Structural science, crystal engineering and materials |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | 4 |
| a | 5.9138 ± 0.0002 Å |
| b | 9.8318 ± 0.0004 Å |
| c | 10.8908 ± 0.0004 Å |
| α | 73.154 ± 0.004° |
| β | 76.691 ± 0.003° |
| γ | 87.551 ± 0.003° |
| Cell volume | 589.58 ± 0.04 Å3 |
| Cell temperature | 100 ± 5 K |
| Ambient diffraction temperature | 100.15 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0532 |
| Residual factor for significantly intense reflections | 0.0331 |
| Weighted residual factors for significantly intense reflections | 0.0637 |
| Weighted residual factors for all reflections included in the refinement | 0.0737 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9956 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 285080 (current) | 2023-07-07 | cif/ hkl/ Adding structures of 2312151 via cif-deposit CGI script. |
2312151.cif 2312151.hkl |
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Users of the data should acknowledge the original authors of the
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