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Information card for entry 2241946
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Coordinates | 2241946.cif |
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Structure factors | 2241946.hkl |
Original IUCr paper | HTML |
Chemical name | Hexakis(dimethyl sulfoxide-κ<i>O</i>)manganese(II) tetraiodide |
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Formula | C12 H36 I4 Mn O6 S6 |
Calculated formula | C12 H36 I4 Mn O6 S6 |
SMILES | CS(C)=[O][Mn]([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)[O]=S(C)C.II.[I-].[I-] |
Title of publication | Crystal structure of hexakis(dimethyl sulfoxide-κ<i>O</i>)manganese(II) tetraiodide |
Authors of publication | Haque, Md Azimul; Davaasuren, Bambar; Rothenberger, Alexander; Wu, Tom |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2016 |
Journal volume | 72 |
Journal issue | 12 |
Pages of publication | 1791 - 1793 |
a | 11.8702 ± 0.001 Å |
b | 11.8702 ± 0.001 Å |
c | 19.386 ± 0.0018 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 2365.6 ± 0.4 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 6 |
Space group number | 148 |
Hermann-Mauguin space group symbol | R -3 :H |
Hall space group symbol | -R 3 |
Residual factor for all reflections | 0.0198 |
Residual factor for significantly intense reflections | 0.0172 |
Weighted residual factors for significantly intense reflections | 0.0374 |
Weighted residual factors for all reflections included in the refinement | 0.0384 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
188491 (current) | 2016-11-16 | cif/ hkl/ Adding structures of 2241946 via cif-deposit CGI script. |
2241946.cif 2241946.hkl |
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