Information card for entry 4104639

Structure parameters

• Formula: C30 H36 Mo O3 Si
• Calculated formula: C30 H36 Mo O3 Si
• SMILES: [Mo]123456([CH]([Si](OC)(c7ccccc7)c7ccccc7)=[CH]1C2(C)C)(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: 10.806 ± 0.003 Å
• b: 15.449 ± 0.004 Å
• c: 16.924 ± 0.004 Å
• α: 90°
• β: 104.841 ± 0.0009°
• γ: 90°
• Cell volume: 2731.1 ± 1.2 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No