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Information card for entry 7054471
Preview
| Coordinates | 7054471.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H16 Mo N2 O6 |
|---|---|
| Calculated formula | C16 H16 Mo N2 O6 |
| SMILES | [Mo]12(=O)(=O)(Oc3c(cccc3)C=[N]2N=C(c2ccc(cc2)O)O1)[OH]CC |
| Title of publication | Dioxomolybdenum(vi) and dioxotungsten(vi) complexes chelated with the ONO tridentate hydrazone ligand: synthesis, structure and catalytic epoxidation activity |
| Authors of publication | Vrdoljak, Višnja; Pisk, Jana; Agustin, Dominique; Novak, Predrag; Parlov Vuković, Jelena; Matković-Čalogović, Dubravka |
| Journal of publication | New J. Chem. |
| Year of publication | 2014 |
| Journal volume | 38 |
| Journal issue | 12 |
| Pages of publication | 6176 |
| a | 6.9243 ± 0.0001 Å |
| b | 7.5678 ± 0.0002 Å |
| c | 15.8992 ± 0.0004 Å |
| α | 95.56 ± 0.002° |
| β | 90.676 ± 0.002° |
| γ | 100.214 ± 0.002° |
| Cell volume | 815.73 ± 0.03 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0275 |
| Residual factor for significantly intense reflections | 0.0239 |
| Weighted residual factors for significantly intense reflections | 0.061 |
| Weighted residual factors for all reflections included in the refinement | 0.062 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180098 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/44. |
7054471.cif |
| 128414 | 2014-12-06 | cif/ Updating files of 7054467, 7054468, 7054469, 7054470, 7054471 Original log message: Adding full bibliography for 7054467--7054471.cif. |
7054471.cif |
| 124956 | 2014-10-07 | cif/ Adding structures of 7054467, 7054468, 7054469, 7054470, 7054471 via cif-deposit CGI script. |
7054471.cif |
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Users of the data should acknowledge the original authors of the
structural data.