Information card for entry 4068875

Structure parameters

• Formula: C27 H36 N2 O2 Si W
• Calculated formula: C27 H36 N2 O2 Si W
• SMILES: [W]1234([Si](C)(C)c5ccccc5)([n]5ccc(N(C)C)cc5)(C#[O])(C#[O])[c]5([c]1([c]2([c]3([c]45C)C)C)C)C
• Title of publication: Synthesis and Characterization of DMAP-Stabilized Aryl(silylene) Complexes and (Arylsilyl)(DMAP) Complexes of Tungsten: Mechanistic Study on the Interconversion between These Complexes via 1,2-Aryl Migration
• Authors of publication: Suzuki, Eiji; Komuro, Takashi; Okazaki, Masaaki; Tobita, Hiromi
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 6
• Pages of publication: 1791
• a: 17.6549 ± 0.0013 Å
• b: 8.69 ± 0.0006 Å
• c: 17.7595 ± 0.0015 Å
• α: 90°
• β: 104.716 ± 0.004°
• γ: 90°
• Cell volume: 2635.3 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/a 1
• Hall space group symbol: -P 2ya
• Residual factor for all reflections: 0.0932
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No