Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7054469
Preview
| Coordinates | 7054469.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H18 Mo N2 O7 |
|---|---|
| Calculated formula | C17 H18 Mo N2 O7 |
| SMILES | c12c(cc(cc1)OC)O[Mo]1(=O)(=O)(OC(=N[N]1=C2)c1ccc(cc1)O)[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 | 6.6695 ± 0.0009 Å |
| b | 18.7911 ± 0.0019 Å |
| c | 14.411 ± 0.002 Å |
| α | 90° |
| β | 96.799 ± 0.014° |
| γ | 90° |
| Cell volume | 1793.4 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1227 |
| Residual factor for significantly intense reflections | 0.0623 |
| Weighted residual factors for significantly intense reflections | 0.1117 |
| Weighted residual factors for all reflections included in the refinement | 0.1386 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.978 |
| 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. |
7054469.cif |
| 128414 | 2014-12-06 | cif/ Updating files of 7054467, 7054468, 7054469, 7054470, 7054471 Original log message: Adding full bibliography for 7054467--7054471.cif. |
7054469.cif |
| 124956 | 2014-10-07 | cif/ Adding structures of 7054467, 7054468, 7054469, 7054470, 7054471 via cif-deposit CGI script. |
7054469.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.