Information card for entry 4104637

Structure parameters

• Formula: C29 H32 Mo O2 Si
• Calculated formula: C29 H32 Mo O2 Si
• SMILES: [Mo]123456([Si](=[C]1=C2C(C)C)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])[c]1([c]3([c]4([c]5([c]61C)C)C)C)C
• Title of publication: η3-Silapropargyl/Alkynylsilyl Molybdenum Complexes: Synthesis, Structure, and Reactivity toward Methanol
• Authors of publication: Mako Yabe-Yoshida; Chizuko Kabuto; Kuninobu Kabuto; Eunsang Kwon; Hiroyuki Sakaba
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 9138 - 9139
• a: 8.962 ± 0.002 Å
• b: 17.016 ± 0.004 Å
• c: 17.214 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2625.1 ± 1.1 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for all reflections included in the refinement: 0.0488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No