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Information card for entry 2242332
Preview
Coordinates | 2242332.cif |
---|---|
Structure factors | 2242332.hkl |
Original IUCr paper | HTML |
Chemical name | Bis[4-(dimethylamino)pyridinium] tetrakis(thiocyanato-κ<i>N</i>)manganate(II) |
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Formula | C18 H22 Mn N8 S4 |
Calculated formula | C18 H22 Mn N8 S4 |
SMILES | [Mn](N=C=S)(N=C=S)(N=C=S)N=C=S.[nH+]1ccc(cc1)N(C)C.[nH+]1ccc(cc1)N(C)C |
Title of publication | Crystal structures of bis[4-(dimethylamino)pyridinium] tetrakis(thiocyanato-κ<i>N</i>)manganate(II) and tris[4-(dimethylamino)pyridinium] pentakis(thiocyanato-κ<i>N</i>)manganate(II) |
Authors of publication | Neumann, Tristan; Jess, Inke; Näther, Christian |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2018 |
Journal volume | 74 |
Journal issue | 1 |
Pages of publication | 15 - 20 |
a | 8.5079 ± 0.0004 Å |
b | 10.4356 ± 0.0005 Å |
c | 14.9899 ± 0.0007 Å |
α | 93.748 ± 0.004° |
β | 90.464 ± 0.004° |
γ | 112.585 ± 0.003° |
Cell volume | 1225.39 ± 0.1 Å3 |
Cell temperature | 170 ± 2 K |
Ambient diffraction temperature | 170 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0418 |
Residual factor for significantly intense reflections | 0.0353 |
Weighted residual factors for significantly intense reflections | 0.0944 |
Weighted residual factors for all reflections included in the refinement | 0.0975 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2242332.html
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Users of the data should acknowledge the original authors of the
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