Information card for entry 4089620

Structure parameters

• Formula: C54.5 H64 O3 W
• Calculated formula: C54.5 H64 O3 W
• Title of publication: B(C6F5)3 Activation of Oxo Tungsten Complexes That Are Relevant to Olefin Metathesis
• Authors of publication: Peryshkov, Dmitry V.; Forrest, William P.; Schrock, Richard R.; Smith, Stacey J.; Müller, Peter
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 19
• Pages of publication: 5256
• a: 11.5802 ± 0.0007 Å
• b: 32.3113 ± 0.0019 Å
• c: 12.4403 ± 0.0007 Å
• α: 90°
• β: 95.721 ± 0.001°
• γ: 90°
• Cell volume: 4631.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No