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Information card for entry 1557531
Preview
| Coordinates | 1557531.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 Al F36 N O10 W |
|---|---|
| Calculated formula | C21 Al F36 N O10 W |
| SMILES | C(#[O])[W](C#[O])(N=O)(C#[O])(C#[O])C#[O].C(C(F)(F)F)(C(F)(F)F)(C(F)(F)F)O[Al](OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F |
| Title of publication | Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals |
| Authors of publication | Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 14 |
| Pages of publication | 3592 - 3603 |
| a | 13.699 ± 0.0007 Å |
| b | 13.699 ± 0.0007 Å |
| c | 9.5293 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1788.29 ± 0.16 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 85 |
| Hermann-Mauguin space group symbol | P 4/n :2 |
| Hall space group symbol | -P 4a |
| Residual factor for all reflections | 0.0236 |
| Residual factor for significantly intense reflections | 0.0235 |
| Weighted residual factors for significantly intense reflections | 0.0734 |
| Weighted residual factors for all reflections included in the refinement | 0.0735 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.126 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 257353 (current) | 2020-10-06 | cif/ Updating files of 1557531, 1557532, 1557533, 1557534, 1557535, 1557536, 1557537, 1557538, 1557539, 1557540, 1557541, 1557542 Original log message: Adding full bibliography for 1557531--1557542.cif. |
1557531.cif |
| 251597 | 2020-05-05 | cif/ Updating files of 1557531, 1557532, 1557533, 1557534, 1557535, 1557536, 1557537, 1557538, 1557539, 1557540, 1557541, 1557542 Original log message: Adding full bibliography for 1557531--1557542.cif. |
1557531.cif |
| 249161 | 2020-03-07 | cif/ Adding structures of 1557531, 1557532, 1557533, 1557534, 1557535, 1557536, 1557537, 1557538, 1557539, 1557540, 1557541, 1557542 via cif-deposit CGI script. |
1557531.cif |
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Users of the data should acknowledge the original authors of the
structural data.