Information card for entry 4073659

Structure parameters

• Formula: C35 H39 N O2 Si W
• Calculated formula: C35 H39 N O2 Si W
• SMILES: [W]12345([N]([Si](c6ccc(cc6)C)(c6ccc(cc6)C)c6ccc(cc6)C)=C1C)(C#[O])(C#[O])[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• Title of publication: Three- and Five-Membered W/C/N Metallacycles Formed by Incorporation of Acetonitrile Molecules into Silyltungsten Intermediates†
• Authors of publication: Suzuki, Eiji; Komuro, Takashi; Okazaki, Masaaki; Tobita, Hiromi
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 18
• Pages of publication: 4379
• a: 8.9733 ± 0.0004 Å
• b: 14.8189 ± 0.0006 Å
• c: 24.2085 ± 0.0013 Å
• α: 90°
• β: 92.3395 ± 0.0015°
• γ: 90°
• Cell volume: 3216.4 ± 0.3 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: 0.0892
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1403
• Weighted residual factors for all reflections included in the refinement: 0.1567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.329
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No