Information card for entry 4331583

Structure parameters

• Formula: C34 H49 N4 O P Si2 W
• Calculated formula: C34 H49 N4 O P Si2 W
• SMILES: [W]12(=Nc3ccccc3)([O]=[CH]2c2ccc(cc2)C)(N([Si](C)(C)C)c2ccccc2N1[Si](C)(C)C)([P](C)(C)C)[n]1ccccc1
• Title of publication: Coupling of an Aldehyde or Ketone to Pyridine Mediated by a Tungsten Imido Complex
• Authors of publication: Hayton, Trevor W.; Boncella, James M.; Scott, Brian L.; Abboud, Khalil A.; Mills, Ryan C.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 25
• Pages of publication: 9506 - 9517
• a: 20.1063 ± 0.0009 Å
• b: 12.3263 ± 0.0005 Å
• c: 29.9886 ± 0.0013 Å
• α: 90°
• β: 103.343 ± 0.001°
• γ: 90°
• Cell volume: 7231.6 ± 0.5 ų
• Cell temperature: 141 ± 2 K
• Ambient diffraction temperature: 141 ± 2 K
• Number of distinct elements: 7
• 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: 0.0505
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No