Information card for entry 4063498

Structure parameters

• Formula: C22 H33 B F3 N8 O7 P S W
• Calculated formula: C22 H33 B F3 N8 O7 P S W
• SMILES: S(C(F)(F)F)(=O)(=O)[O-].[W]123([P](C)(C)C)(N=O)([n]4cccn4[BH](n4[n]1ccc4)n1[n]2ccc1)[CH]1=[CH]3C=[N+](C(=O)C)[C@H](OC)[C@@H]1OC.S(C(F)(F)F)(=O)(=O)[O-].[W]123([P](C)(C)C)(N=O)([n]4cccn4[BH](n4[n]1ccc4)n1[n]2ccc1)[CH]1=[CH]3C=[N+](C(=O)C)[C@@H](OC)[C@H]1OC
• Title of publication: Selectfluor-Mediated Dialkoxylation of Tungsten η2-Pyridinium Complexes
• Authors of publication: Kosturko, George W.; Harrison, Daniel P.; Sabat, Michal; Myers, William H.; Harman, W. Dean
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 2
• Pages of publication: 387 - 389
• a: 10.942 ± 0.003 Å
• b: 9.892 ± 0.003 Å
• c: 28.897 ± 0.009 Å
• α: 90°
• β: 100.266 ± 0.006°
• γ: 90°
• Cell volume: 3077.7 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.0695
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No