Information card for entry 4305789

Structure parameters

• Formula: C56 H46 B F24 N2 O4.5 W
• Calculated formula: C56 H46 B F24 N2 O4.5 W
• Title of publication: Reduction of an η2-Iminoacyl Ligand to η2-Iminium Enabled by Adjacent Carbon Monoxide Ligand Replacement with a Variable Electron Donor Alkyne Ligand in a Cationic Tungsten(II) Bis(acetylacetonate) Complex
• Authors of publication: Andrew B. Jackson; Chetna Khosla; Peter S. White; Joseph L. Templeton
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 8776 - 8787
• a: 13.0368 ± 0.0004 Å
• b: 13.0932 ± 0.0003 Å
• c: 20.0413 ± 0.0006 Å
• α: 76.898 ± 0.002°
• β: 80.35 ± 0.002°
• γ: 78.311 ± 0.002°
• Cell volume: 3236.1 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1088
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1725
• Weighted residual factors for all reflections included in the refinement: 0.2064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No