Information card for entry 7119048

Structure parameters

• Chemical name: complex 3
• Formula: C62.5 H75 Cl3 F5 N5 O W
• Calculated formula: C62.5 H75 Cl3 F5 N5 O W
• 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: 11.2444 ± 0.0003 Å
• b: 26.1267 ± 0.0005 Å
• c: 20.6154 ± 0.0004 Å
• α: 90°
• β: 94.991 ± 0.001°
• γ: 90°
• Cell volume: 6033.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.04
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.0571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No