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Information card for entry 2240274
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| Coordinates | 2240274.cif |
|---|---|
| Structure factors | 2240274.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato-κ<i>N</i>)manganese(II) 2,2'-bipyridine monosolvate |
|---|---|
| Formula | C32 H24 Mn N8 S2 |
| Calculated formula | C32 H24 Mn N8 S2 |
| SMILES | N(=C=S)[Mn]12(N=C=S)([n]3ccccc3c3cccc[n]13)[n]1ccccc1c1cccc[n]21.c1(ccccn1)c1ccccn1 |
| Title of publication | Crystal structure of bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato-κ<i>N</i>)manganese(II) 2,2'-bipyridine monosolvate |
| Authors of publication | Suckert, Stefan; Jess, Inke; Näther, Christian |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 1 |
| Pages of publication | m3 - m4 |
| a | 14.5263 ± 0.0006 Å |
| b | 13.5383 ± 0.0004 Å |
| c | 16.0726 ± 0.0007 Å |
| α | 90° |
| β | 105.535 ± 0.003° |
| γ | 90° |
| Cell volume | 3045.4 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0489 |
| Residual factor for significantly intense reflections | 0.0405 |
| Weighted residual factors for significantly intense reflections | 0.0902 |
| Weighted residual factors for all reflections included in the refinement | 0.0941 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181902 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/02 |
2240274.cif 2240274.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. |
2240274.cif 2240274.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. |
2240274.cif 2240274.hkl |
| 128709 | 2014-12-14 | cif/ hkl/ Adding structures of 2240274 via cif-deposit CGI script. |
2240274.cif 2240274.hkl |
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Users of the data should acknowledge the original authors of the
structural data.