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Information card for entry 2243038
Preview
| Coordinates | 2243038.cif |
|---|---|
| Structure factors | 2243038.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(μ-2-methylpyridine <i>N</i>-oxide)bis[diaquadibromidomanganese(II)]‒2-methylpyridine <i>N</i>-oxide (1/2) |
|---|---|
| Formula | C24 H36 Br4 Mn2 N4 O8 |
| Calculated formula | C24 H36 Br4 Mn2 N4 O8 |
| SMILES | Br[Mn]1(Br)([OH2])([OH2])[O]([Mn](Br)(Br)([O]1=n1c(cccc1)C)([OH2])[OH2])=n1c(C)cccc1.O=n1ccccc1C.O=n1c(cccc1)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 | 8.956 ± 0.0008 Å |
| b | 9.7922 ± 0.0009 Å |
| c | 10.2945 ± 0.0008 Å |
| α | 110.048 ± 0.008° |
| β | 90.336 ± 0.007° |
| γ | 98.052 ± 0.007° |
| Cell volume | 838.34 ± 0.13 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 | 0.0584 |
| Residual factor for significantly intense reflections | 0.0374 |
| Weighted residual factors for significantly intense reflections | 0.0735 |
| Weighted residual factors for all reflections included in the refinement | 0.08 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| 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. |
2243038.cif 2243038.hkl |
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Users of the data should acknowledge the original authors of the
structural data.