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Information card for entry 1550655
Preview
| Coordinates | 1550655.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H20 Cl4 Mn N2 O2 |
|---|---|
| Calculated formula | C8 H20 Cl4 Mn N2 O2 |
| SMILES | [Mn](Cl)(Cl)([Cl-])[Cl-].O1CC[NH2+]CC1.O1CC[NH2+]CC1 |
| Title of publication | Thermoinduced Structural-Transformation and Thermochromic Luminescence in Organic Manganese Chloride Crystals |
| Authors of publication | Sun, Meng-En; Li, Yao; Dong, Xi-Yan; Zang, Shuang-Quan |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 6.544 ± 0.0002 Å |
| b | 16.1548 ± 0.0004 Å |
| c | 14.6769 ± 0.0004 Å |
| α | 90° |
| β | 95.619 ± 0.003° |
| γ | 90° |
| Cell volume | 1544.14 ± 0.07 Å3 |
| Cell temperature | 149.99 ± 0.1 K |
| Ambient diffraction temperature | 149.99 ± 0.1 K |
| Number of distinct elements | 6 |
| 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 | 0.0254 |
| Residual factor for significantly intense reflections | 0.0225 |
| Weighted residual factors for significantly intense reflections | 0.0572 |
| Weighted residual factors for all reflections included in the refinement | 0.0584 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213841 (current) | 2019-02-26 | cif/ Adding structures of 1550654, 1550655 via cif-deposit CGI script. |
1550655.cif |
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