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Information card for entry 1564214
Preview
| Coordinates | 1564214.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H16 Mo N2 O6 |
|---|---|
| Calculated formula | C16 H16 Mo N2 O6 |
| SMILES | C1(=N[N]2=C(C=C(c3ccccc3)O[Mo]2(O1)(=O)(=O)[OH]C)C)c1ccco1 |
| Title of publication | Catalytic oxidation of benzyl-alcohol with H2O2 in the presence of a dioxidomolybdenum(VI) complex |
| Authors of publication | Balapoor, Leila; Bikas, Rahman; Dargahi, Maryam |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2020 |
| Journal volume | 510 |
| Pages of publication | 119734 |
| a | 23.8478 ± 0.0016 Å |
| b | 9.7286 ± 0.0008 Å |
| c | 15.1467 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3514.1 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.095 |
| Residual factor for significantly intense reflections | 0.0821 |
| Weighted residual factors for significantly intense reflections | 0.2329 |
| Weighted residual factors for all reflections included in the refinement | 0.2519 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267640 (current) | 2021-07-19 | cif/ Adding structures of 1564214 via cif-deposit CGI script. |
1564214.cif |
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