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Information card for entry 2007167
Preview
| Coordinates | 2007167.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C12 H18 Mo N4 O4 |
|---|---|
| Calculated formula | C12 H18 Mo N4 O4 |
| SMILES | [Mo]12(OC([n]3[n]1ccc3)(C)C)(OC([n]1[n]2ccc1)(C)C)(=O)=O |
| Title of publication | A <i>cis</i>-Dioxomolybdenum(VI) Complex, [Mo{N~2~C~3~H~3~C(Me)~2~O}~2~(O)~2~] |
| Authors of publication | Ehlert, Martin K.; Rettig, Steven J.; Storr, Alan; Trotter, James |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1998 |
| Journal volume | 54 |
| Journal issue | 4 |
| Pages of publication | 473 - 475 |
| a | 14.381 ± 0.003 Å |
| b | 7.697 ± 0.003 Å |
| c | 14.2869 ± 0.0012 Å |
| α | 90° |
| β | 100.801 ± 0.01° |
| γ | 90° |
| Cell volume | 1553.4 ± 0.7 Å3 |
| Cell temperature | 294 K |
| Ambient diffraction temperature | 294 K |
| Number of distinct elements | 5 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for significantly intense reflections | 0.027 |
| Weighted residual factors for all reflections included in the refinement | 0.053 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.14 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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