Information card for entry 4067777

Structure parameters

• Formula: C36 H41 N O2 Si W
• Calculated formula: C36 H41 N O2 Si W
• SMILES: [W]1234(C#[N][Si](c5ccc(cc5)C)(c5ccc(cc5)C)c5ccc(cc5)C)(CC)(C#[O])(C#[O])[c]5([c]4([c]3([c]2([c]15C)C)C)C)C
• Title of publication: Synthesis and Characterization of κ2C,N-N-Silyliminoacyl Tungsten Complexes Cp*(CO)2W{κ2C,N-C(R)═NSiR′3} [R = Me, Et,i-Pr,t-Bu; R′3= (p-Tol)2Me, (p-Tol)3, Et3; Cp* = η5-C5Me5]: Thermally Induced Carbon−Carbon Bond Cleavage of Their Iminoacyl Ligands
• Authors of publication: Suzuki, Eiji; Komuro, Takashi; Kanno, Yuto; Okazaki, Masaaki; Tobita, Hiromi
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 7
• Pages of publication: 1839
• a: 13.59 ± 0.004 Å
• b: 14.312 ± 0.004 Å
• c: 17.018 ± 0.005 Å
• α: 90°
• β: 97.2518 ± 0.0011°
• γ: 90°
• Cell volume: 3283.5 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No