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Information card for entry 2242631
Preview
| Coordinates | 2242631.cif |
|---|---|
| Structure factors | 2242631.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[manganese(II)-μ~3~-acetato-di-μ~2~-acetato-[aquamanganese(II)]-μ~2~-acetato-μ-(pyridine <i>N</i>-oxide)-manganese(II)-μ~3~-acetato-μ~2~-acetato-μ-(pyridine <i>N</i>-oxide)-[aquamanganese(II)]-di-μ~2~-acetato] |
|---|---|
| Formula | C26 H38 Mn4 N2 O20 |
| Calculated formula | C26 H38 Mn4 N2 O20 |
| SMILES | [Mn]1234([O](=n5ccccc5)[Mn]56([O]=C(O1)C)([O]=C(O[Mn]1(OC(=O)C)([O]5C(=[O]3)C)([O]=C(O[Mn]35([O]([Mn]78([O]=C([O]9[Mn]([O]7=n7ccccc7)([O]=C(O8)C)([O]=C(O[Mn]9(OC(=O)C)OC(=O)C)C)[OH2])C)(OC(=[O]3)C)[O]=C([O]15)C)=n1ccccc1)[OH2])C)[O]6C(=O)C)C)[OH2])[O]=C(O[Mn]([O]2=n1ccccc1)([O]=C(O4)C)(OC(=O)C)[OH2])C |
| Title of publication | Structures of substituted pyridine <i>N</i>-oxide with manganese(II) acetate |
| Authors of publication | Lynch, Will; Lynch, Genevieve; Sheriff, Kirk; Padgett, Clifford |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 10 |
| Pages of publication | 1405 - 1410 |
| a | 19.936 ± 0.007 Å |
| b | 10.603 ± 0.004 Å |
| c | 18.692 ± 0.007 Å |
| α | 90° |
| β | 105.925 ± 0.004° |
| γ | 90° |
| Cell volume | 3800 ± 2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0376 |
| Residual factor for significantly intense reflections | 0.032 |
| Weighted residual factors for significantly intense reflections | 0.0789 |
| Weighted residual factors for all reflections included in the refinement | 0.0828 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210872 (current) | 2018-09-12 | cif/ hkl/ Adding structures of 2242631, 2242632, 2242633 via cif-deposit CGI script. |
2242631.cif 2242631.hkl |
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Users of the data should acknowledge the original authors of the
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