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Information card for entry 4514440
Preview
| Coordinates | 4514440.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H12 Cl4 Mn N2 |
|---|---|
| Calculated formula | C10 H12 Cl4 Mn N2 |
| SMILES | [Mn](Cl)(Cl)([Cl-])[Cl-].[nH+]1ccccc1.[nH+]1ccccc1 |
| Title of publication | Tunable Emission Properties of Manganese Chloride Small Single Crystals by Pyridine Incorporation. |
| Authors of publication | Li, Chunyang; Bai, Xianwei; Guo, Yongchang; Zou, Bingsuo |
| Journal of publication | ACS omega |
| Year of publication | 2019 |
| Journal volume | 4 |
| Journal issue | 5 |
| Pages of publication | 8039 - 8045 |
| a | 7.6243 ± 0.0015 Å |
| b | 8.044 ± 0.0016 Å |
| c | 12.562 ± 0.003 Å |
| α | 88.72 ± 0.03° |
| β | 83.85 ± 0.03° |
| γ | 80.07 ± 0.03° |
| Cell volume | 754.5 ± 0.3 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0477 |
| Residual factor for significantly intense reflections | 0.043 |
| Weighted residual factors for significantly intense reflections | 0.0936 |
| Weighted residual factors for all reflections included in the refinement | 0.0972 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.112 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219542 (current) | 2019-10-28 | cif/ Adding structures of 4514440 via cif-deposit CGI script. |
4514440.cif |
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