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Information card for entry 2243040
Preview
| Coordinates | 2243040.cif |
|---|---|
| Structure factors | 2243040.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(μ-4-methylpyridine <i>N</i>-oxide)bis[dibromidomethanol(4-methylpyridine <i>N</i>-oxide)manganese(II)] |
|---|---|
| Formula | C26 H36 Br4 Mn2 N4 O6 |
| Calculated formula | C26 H36 Br4 Mn2 N4 O6 |
| SMILES | Br[Mn]1(Br)([O]=n2ccc(cc2)C)([O]([Mn](Br)(Br)([O]=n2ccc(cc2)C)([O]1=n1ccc(cc1)C)[OH]C)=n1ccc(cc1)C)[OH]C |
| 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 | 13.5384 ± 0.0007 Å |
| b | 9.5354 ± 0.0004 Å |
| c | 13.7292 ± 0.0007 Å |
| α | 90° |
| β | 103.112 ± 0.005° |
| γ | 90° |
| Cell volume | 1726.15 ± 0.15 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 6 |
| 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 | 0.0585 |
| Residual factor for significantly intense reflections | 0.0431 |
| Weighted residual factors for significantly intense reflections | 0.1041 |
| Weighted residual factors for all reflections included in the refinement | 0.1116 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| 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. |
2243040.cif 2243040.hkl |
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Users of the data should acknowledge the original authors of the
structural data.