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Information card for entry 2243039
Preview
| Coordinates | 2243039.cif |
|---|---|
| Structure factors | 2243039.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(μ-3-methylpyridine <i>N</i>-oxide)bis[aquadibromido(3-methylpyridine <i>N</i>-oxide)manganese(II)] |
|---|---|
| Formula | C24 H32 Br4 Mn2 N4 O6 |
| Calculated formula | C24 H32 Br4 Mn2 N4 O6 |
| SMILES | Br[Mn]1(Br)([O]=n2cc(ccc2)C)([O]([Mn](Br)(Br)(O=n2cc(ccc2)C)([O]1=n1cc(ccc1)C)[OH2])=n1cc(C)ccc1)[OH2] |
| Title of publication | Crystal structures of four dimeric manganese(II) bromide coordination complexes with various derivatives of pyridine <i>N</i>-oxide |
| Authors of publication | Lynch, Sheridan; Lynch, Genevieve; Lynch, Will E.; Padgett, Clifford W. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 8 |
| Pages of publication | 1284 - 1290 |
| a | 7.6354 ± 0.0005 Å |
| b | 9.97 ± 0.0008 Å |
| c | 11.898 ± 0.001 Å |
| α | 111.98 ± 0.007° |
| β | 100.36 ± 0.006° |
| γ | 97.737 ± 0.006° |
| Cell volume | 805.71 ± 0.12 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 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 | 0.058 |
| Residual factor for significantly intense reflections | 0.0399 |
| Weighted residual factors for significantly intense reflections | 0.09 |
| Weighted residual factors for all reflections included in the refinement | 0.0977 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217324 (current) | 2019-07-31 | cif/ hkl/ Adding structures of 2243038, 2243039, 2243040, 2243041 via cif-deposit CGI script. |
2243039.cif 2243039.hkl |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.