Information card for entry 4067776

Structure parameters

• Formula: C36 H41 N O2 Si W
• Calculated formula: C36 H41 N O2 Si W
• SMILES: [W]12345([N](=C1CC)[Si](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C)(C#[O])(C#[O])[c]1([c]2([c]3([c]4([c]51C)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: 9.0675 ± 0.0003 Å
• b: 14.7448 ± 0.0004 Å
• c: 24.3446 ± 0.0008 Å
• α: 90°
• β: 91.9946 ± 0.001°
• γ: 90°
• Cell volume: 3252.86 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0585
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1397
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No