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Information card for entry 8107343
Preview
| Coordinates | 8107343.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H21 Br2 Mn N5 O4 |
|---|---|
| Calculated formula | C28 H21 Br2 Mn N5 O4 |
| SMILES | Brc1cc(Br)c2O[Mn]3(Oc4ccc(N(=O)=O)cc4[N]3=Cc2c1)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1 |
| Title of publication | The crystal structure of ((E)-2,4-dibromo-6-(((5-(nitro)-2-oxidophenyl)imino)methyl)phenolato-κ 3 N,O,O′)tris(pyridine-κN)manganese(II), C28H21Br2MnN5O4 |
| Authors of publication | Li, Ting; Qiu, Keying; Tan, Yuxing; Jiang, Wujiu |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 1 |
| Pages of publication | 27 - 29 |
| a | 8.9193 ± 0.0014 Å |
| b | 9.2271 ± 0.0015 Å |
| c | 17.933 ± 0.003 Å |
| α | 103.574 ± 0.002° |
| β | 91.518 ± 0.002° |
| γ | 98.762 ± 0.002° |
| Cell volume | 1414.9 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.05 |
| Residual factor for significantly intense reflections | 0.0347 |
| Weighted residual factors for significantly intense reflections | 0.0793 |
| Weighted residual factors for all reflections included in the refinement | 0.0864 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284446 (current) | 2023-06-12 | cif/ Adding structures of 8107343 via cif-deposit CGI script. |
8107343.cif |
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