Information card for entry 4305793

Structure parameters

• Formula: C57 H49 B F24 N O4 P W
• Calculated formula: C57 H49 B F24 N O4 P 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: 12.7556 ± 0.0003 Å
• b: 19.0951 ± 0.0005 Å
• c: 24.7718 ± 0.0006 Å
• α: 90°
• β: 96.02 ± 0.001°
• γ: 90°
• Cell volume: 6000.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No