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Information card for entry 2312552
Preview
| Coordinates | 2312552.cif |
|---|---|
| Structure factors | 2312552.hkl |
| Original IUCr paper | HTML |
| Chemical name | Diaquatetrakis(methyldiphenylphosphine oxide)manganese(II) tetrachloridomanganate(II) |
|---|---|
| Formula | C52 H56 Cl4 Mn2 O6 P4 |
| Calculated formula | C52 H56 Cl4 Mn2 O6 P4 |
| Title of publication | Synthesis, structure and red-light emission of a manganese halide directed by a methyldiphenylphosphine oxide complex. |
| Authors of publication | Li, Jia Wei; Niu, Mengyuan; Feng, Wei; Dong, Wenke; Liu, Yanjie; Yang, Jingjing; Wang, Chunjie; Zhang, Hui; Song, Wei Wu |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | 8 |
| a | 21.0944 ± 0.0003 Å |
| b | 21.0944 ± 0.0003 Å |
| c | 12.0785 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5374.61 ± 0.14 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a :2 |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.0357 |
| Residual factor for significantly intense reflections | 0.0308 |
| Weighted residual factors for significantly intense reflections | 0.081 |
| Weighted residual factors for all reflections included in the refinement | 0.0834 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.34135 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 293405 (current) | 2024-07-13 | cif/ hkl/ Adding structures of 2312552 via cif-deposit CGI script. |
2312552.cif 2312552.hkl |
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