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Information card for entry 2200231
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| Coordinates | 2200231.cif |
|---|---|
| Structure factors | 2200231.hkl |
| Original IUCr paper | HTML |
| Formula | C16 H40 Mn2 N12 O8 S4 |
|---|---|
| Calculated formula | C16 H40 Mn2 N12 O8 S4 |
| SMILES | C1[N]2(CN3CN1CN(C3)C2)[Mn]([N]12CN3CN(C1)CN(C2)C3)([OH2])(N=C=S)(N=C=S)[OH2].C(=N[Mn](N=C=S)([OH2])([OH2])([OH2])[OH2])=S.O.O |
| Title of publication | Diaquabis(hexamethylenetetramine-<i>N</i>)bis(isothiocyanato)manganese(II) tetraaquabis(isothiocyanato)manganese(II) dihydrate |
| Authors of publication | Liu, Qi; Li, Baolong; Sun, Xiaoqiang; Xu, Zheng; Yu, Kaibei |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 4 |
| Pages of publication | m151 - m153 |
| a | 7.969 ± 0.001 Å |
| b | 9.111 ± 0.001 Å |
| c | 13.076 ± 0.002 Å |
| α | 94.34 ± 0.01° |
| β | 96.83 ± 0.01° |
| γ | 115.16 ± 0.01° |
| Cell volume | 844.8 ± 0.2 Å3 |
| Cell temperature | 288 ± 2 K |
| Ambient diffraction temperature | 288 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0293 |
| Residual factor for significantly intense reflections | 0.0236 |
| Weighted residual factors for all reflections included in the refinement | 0.0622 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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Users of the data should acknowledge the original authors of the
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