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Information card for entry 2240227
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| Coordinates | 2240227.cif |
|---|---|
| Structure factors | 2240227.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Poly[[(2,2'-bipyridine)manganese(II)]-di-μ-thiocyanato] |
|---|---|
| Formula | C12 H8 Mn N4 S2 |
| Calculated formula | C12 H8 Mn N4 S2 |
| SMILES | c1cccc2[n]1[Mn](N=C=S)(N=C=S)[n]1ccccc21 |
| Title of publication | Crystal structure of poly[[(2,2'-bipyridine)manganese(II)]-di-μ-thiocyanato] |
| Authors of publication | Suckert, Stefan; Wöhlert, Susanne; Jess, Inke; Näther, Christian |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 12 |
| Pages of publication | m401 - m402 |
| a | 7.6158 ± 0.0005 Å |
| b | 16.2007 ± 0.0014 Å |
| c | 10.6784 ± 0.0007 Å |
| α | 90° |
| β | 90.129 ± 0.008° |
| γ | 90° |
| Cell volume | 1317.51 ± 0.17 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 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 | 0.0322 |
| Residual factor for significantly intense reflections | 0.0256 |
| Weighted residual factors for significantly intense reflections | 0.0636 |
| Weighted residual factors for all reflections included in the refinement | 0.0654 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2240227.cif 2240227.hkl |
| 181902 | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/02 |
2240227.cif 2240227.hkl |
| 181322 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/02. |
2240227.cif 2240227.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240227.cif 2240227.hkl |
| 127502 | 2014-11-19 | cif/ hkl/ Adding structures of 2240227 via cif-deposit CGI script. |
2240227.cif 2240227.hkl |
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Users of the data should acknowledge the original authors of the
structural data.