Information card for entry 4305790

Structure parameters

• Formula: C58 H40 B F24 N O4 W
• Calculated formula: C58 H40 B F24 N O4 W
• SMILES: [W]1234([N](C)=C1c1ccccc1)(C=C2c1ccccc1)([O]=C(C=C(O3)C)C)OC(=CC(=[O]4)C)C.[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• 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: 12.9884 ± 0.0004 Å
• b: 14.3778 ± 0.0005 Å
• c: 17.929 ± 0.0006 Å
• α: 111.9 ± 0.002°
• β: 99.667 ± 0.002°
• γ: 99.845 ± 0.002°
• Cell volume: 2960.84 ± 0.18 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: 0.0789
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No