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Information card for entry 1550813
Preview
| Coordinates | 1550813.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H19 Br Mn N O3 Se2 |
|---|---|
| Calculated formula | C19 H19 Br Mn N O3 Se2 |
| SMILES | [Mn]1(C#[O])(C#[O])(C#[O])(Br)[NH](CC[Se]c2ccccc2)CC[Se]1c1ccccc1 |
| Title of publication | Synthesis, characterization and biological evaluation of new manganese metal carbonyl compounds that contain sulfur and selenium ligands as a promising new class of CORMs. |
| Authors of publication | Amorim, André L; Peterle, Marcos M.; Guerreiro, Ana; Coimbra, Daniel F.; Heying, Renata S.; Caramori, Giovani F.; Braga, Antonio L.; Bortoluzzi, Adailton J.; Neves, Ademir; Bernardes, Gonçalo J L; Peralta, Rosely A. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 17 |
| Pages of publication | 5574 - 5584 |
| a | 8.0565 ± 0.0002 Å |
| b | 20.5626 ± 0.0005 Å |
| c | 12.9929 ± 0.0003 Å |
| α | 90° |
| β | 94.492 ± 0.001° |
| γ | 90° |
| Cell volume | 2145.83 ± 0.09 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0548 |
| Residual factor for significantly intense reflections | 0.0375 |
| Weighted residual factors for significantly intense reflections | 0.0812 |
| Weighted residual factors for all reflections included in the refinement | 0.0881 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 224096 (current) | 2019-11-07 | cif/ Updating files of 1550812, 1550813, 1550814 Original log message: Adding full bibliography for 1550812--1550814.cif. |
1550813.cif |
| 214408 | 2019-03-29 | cif/ Adding structures of 1550812, 1550813, 1550814 via cif-deposit CGI script. |
1550813.cif |
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Users of the data should acknowledge the original authors of the
structural data.