Information card for entry 4306671

Structure parameters

• Formula: C44 H68 N2 O2 W
• Calculated formula: C44 H68 N2 O2 W
• Title of publication: Carbonyl Olefination Using Readily Prepared Tungsten Metallacycles
• Authors of publication: Kapil S. Lokare; Aaron L. Odom
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 11191 - 11196
• a: 10.9969 ± 0.0016 Å
• b: 12.9947 ± 0.0019 Å
• c: 14.851 ± 0.002 Å
• α: 95.753 ± 0.003°
• β: 101.33 ± 0.002°
• γ: 91.158 ± 0.002°
• Cell volume: 2068.7 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No