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Information card for entry 7246967
Preview
| Coordinates | 7246967.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H11 F3 Mo N2 O5 S |
|---|---|
| Calculated formula | C12 H11 F3 Mo N2 O5 S |
| SMILES | [Mo]1234([N]#CC)([N]#CC)(C#[O])([cH]5[cH]2[cH]4[cH]1[cH]35)C#[O].S(=O)(=O)([O-])C(F)(F)F |
| Title of publication | Stabilization of propene molybdenum and tungsten half–sandwich complexes by intramolecular coordination of a thioether function |
| Authors of publication | Hanzl, Lukáš; Vinklárek, Jaromír; Dostál, Libor; Císařová, Ivana; Litecká, Miroslava; Honzíček, Jan |
| Journal of publication | RSC Advances |
| Year of publication | 2023 |
| Journal volume | 13 |
| Journal issue | 29 |
| Pages of publication | 19746 - 19756 |
| a | 10.8954 ± 0.0001 Å |
| b | 10.3231 ± 0.0001 Å |
| c | 14.5137 ± 0.0001 Å |
| α | 90° |
| β | 90.398 ± 0.001° |
| γ | 90° |
| Cell volume | 1632.38 ± 0.02 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 7 |
| 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 | 0.0165 |
| Residual factor for significantly intense reflections | 0.0157 |
| Weighted residual factors for significantly intense reflections | 0.0399 |
| Weighted residual factors for all reflections included in the refinement | 0.0403 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284738 (current) | 2023-07-01 | cif/ Adding structures of 7246965, 7246966, 7246967, 7246968, 7246969, 7246970, 7246971, 7246972 via cif-deposit CGI script. |
7246967.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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Users of the data should acknowledge the original authors of the
structural data.