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CIF Information Card
Information card for 7101661
7101660 << 7101661 >> 7101662Preview
|
Coordinates |
7101661.cif |
Structure parameters
| Formula | - C45.5 H38 Li Mn N2 O4 P S2 - |
| Calculated formula | - C30.3333 H25.3333 Li0.666667 Mn1.33333 N1.33333 O2.66667 P0.666667 S1.33333 - |
| Title of publication | The P(bth)2- anion as a Janus head staple between lithium and manganese (bth = benzothiazol-2-yl, C7H4NS). |
| Authors of publication | Stey, Thomas; Henn, Julian; Stalke, Dietmar |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2007 |
| Journal issue | 4 |
| Pages of publication | 413 - 415 |
| a | 27.957 ± 0.012 Å |
| b | 16.397 ± 0.007 Å |
| c | 21.612 ± 0.009 Å |
| α | 90° |
| β | 120.372 ± 0.008° |
| γ | 90° |
| Cell volume | 8547 ± 6 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 8 |
| Hermann-Mauguin symmetry space group | C 1 2/c 1 |
| Hall symmetry space group | -C 2yc |
| Residual factor for all reflections | 0.0895 |
| Residual factor for observed reflections | 0.0616 |
| Weighted residual factors for the observed reflections | 0.1664 |
| Weighted residual factors for all reflections included in the refinement | 0.1752 |
| Goodness-of-fit parameter for observed reflections | 0.961 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |