Information card for entry 4305791

Structure parameters

• Formula: C22 H29 N O4 W
• Calculated formula: C22 H29 N O4 W
• SMILES: [W]1234(C(=C1C)C)([N](C)=[CH]2c1ccccc1)(OC(=CC(=[O]3)C)C)[O]=C(C=C(O4)C)C
• 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: 8.4166 ± 0.0011 Å
• b: 10.2419 ± 0.0013 Å
• c: 13.3165 ± 0.0019 Å
• α: 99.903 ± 0.006°
• β: 97.032 ± 0.007°
• γ: 92.263 ± 0.006°
• Cell volume: 1120.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0288
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No