Information card for entry 4066712

Structure parameters

• Formula: C32 H40 O3 Si2 W
• Calculated formula: C32 H40 O3 Si2 W
• SMILES: [W]1234(C5[Si](OC(C=5[Si](C)(C)C)(C)C)(c5ccccc5)c5ccccc5)(C#[O])(C#[O])[c]5([c]2([c]3([c]4([c]51C)C)C)C)C
• Title of publication: Conversion of an Acetylide−Silylene Complex to an Alkenylcarbyne Complex by Consecutive Ketone Addition and Base-Induced Silanone Elimination
• Authors of publication: Sakaba, Hiroyuki; Yabe-Yoshida, Mako; Oike, Hiroyuki; Kabuto, Chizuko
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 18
• Pages of publication: 4115
• a: 19.4764 ± 0.0015 Å
• b: 8.5385 ± 0.0004 Å
• c: 20.4172 ± 0.0017 Å
• α: 90°
• β: 115.625 ± 0.001°
• γ: 90°
• Cell volume: 3061.4 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.038
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections included in the refinement: 0.0536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.252
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No