Information card for entry 4087886

Structure parameters

• Formula: C30 H49 B F6 N8 O7 S2 W
• Calculated formula: C30 H49 B F6 N8 O7 S2 W
• Title of publication: Regioselectivity of Addition to the Azavinylidene Ligand in Tp′W(CO)(η2-HC≡CH)(N═CHMe): Electrophilic Addition versus Oxidation and Radical Coupling
• Authors of publication: Beattie, Ross J.; White, Peter S.; Templeton, Joseph L.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 35
• Journal issue: 1
• Pages of publication: 32
• a: 8.1886 ± 0.0003 Å
• b: 12.4277 ± 0.0004 Å
• c: 20.3819 ± 0.0007 Å
• α: 83.5274 ± 0.0019°
• β: 78.803 ± 0.002°
• γ: 89.4183 ± 0.0019°
• Cell volume: 2021.58 ± 0.12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0485
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No