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Information card for entry 7119049
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Coordinates | 7119049.cif |
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Chemical name | complex 6 |
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Formula | C40.5 H58 Cl F6 N5 O6 S2 W |
Calculated formula | C40.5 H58 Cl F6 N5 O6 S2 W |
SMILES | [W](OS(=O)(=O)C(F)(F)F)(Cc1n(c(c([n+]1C)C)C)C)(OS(=O)(=O)C(F)(F)F)(=Nc1c(cccc1C(C)C)C(C)C)(Cc1n(c(c([n+]1C)C)C)C)=CC(C)(C)c1ccccc1.C(Cl)Cl |
Title of publication | Application of imidazolinium salts and N-heterocyclic olefins for the synthesis of anionic and neutral tungsten imido alkylidene complexes |
Authors of publication | Dominik A. Imbrich; Wolfgang Frey; Stefan Naumann; Michael R. Buchmeiser |
Journal of publication | Chem.Commun. |
Year of publication | 2016 |
Journal volume | 52 |
Pages of publication | 6099 |
a | 11.7112 ± 0.0007 Å |
b | 20.3641 ± 0.0013 Å |
c | 21.9201 ± 0.0014 Å |
α | 103.305 ± 0.003° |
β | 97.459 ± 0.002° |
γ | 100.855 ± 0.003° |
Cell volume | 4913.7 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0419 |
Residual factor for significantly intense reflections | 0.0276 |
Weighted residual factors for significantly intense reflections | 0.0598 |
Weighted residual factors for all reflections included in the refinement | 0.0633 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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