Information card for entry 4087884

Structure parameters

• Formula: C23 H33 B F3 N7 O4 S W
• Calculated formula: C23 H33 B F3 N7 O4 S 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: 8.0823 ± 0.0006 Å
• b: 12.4028 ± 0.0008 Å
• c: 14.563 ± 0.001 Å
• α: 82.414 ± 0.003°
• β: 84.135 ± 0.004°
• γ: 89.855 ± 0.003°
• Cell volume: 1439.4 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 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: 0.0353
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No