Information card for entry 4331582

Structure parameters

• Formula: C30 H37 N5 O2 Si2 W
• Calculated formula: C30 H37 N5 O2 Si2 W
• SMILES: [W]123(=Nc4ccccc4)(O[C@@H]([C@@H](O1)c1[n]2cccc1)c1ncccc1)N([Si](C)(C)C)c1c(N3[Si](C)(C)C)cccc1
• 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: 30.2668 ± 0.0015 Å
• b: 30.2668 ± 0.0015 Å
• c: 13.6276 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12484 ± 1.1 ų
• Cell temperature: 141 ± 2 K
• Ambient diffraction temperature: 141 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No