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Information card for entry 2010677
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| Coordinates | 2010677.cif |
|---|---|
| Structure factors | 2010677.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(tetramethylammonium)Nonadecaoxohexamolybdenum(VI) Solvate Hydrate |
|---|---|
| Formula | C8 H24 Mo6 N2 O20 |
| Calculated formula | C8 H24 Mo6 N2 O20 |
| SMILES | C[N+](C)(C)C.[O]12345[Mo]678(O[Mo]9%103(O[Mo]3%111(O[Mo]2(O6)(O[Mo]4(O7)(O3)(O9)=O)(O[Mo]5(O8)(O%11)(O%10)=O)=O)=O)=O)=O.O.C[N+](C)(C)C |
| Title of publication | Bis(tetramethylammonium) nonadecaoxohexamolybdenum(VI) monohydrate |
| Authors of publication | Wu, Dingming; Wang, Sheng; Lin, Xiang; Lu, Canzhong; Zhuang, Honghui |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 2 |
| Pages of publication | e55 - e56 |
| a | 13.8148 ± 0.0016 Å |
| b | 13.8148 ± 0.0016 Å |
| c | 13.8148 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2636.5 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 225 |
| Hermann-Mauguin space group symbol | F m -3 m |
| Hall space group symbol | -F 4 2 3 |
| Residual factor for all reflections | 0.039 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for all reflections included in the refinement | 0.095 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.326 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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