Information card for entry 4104636

Structure parameters

• Formula: C30 H34 Mo O2 Si
• Calculated formula: C30 H34 Mo O2 Si
• SMILES: [Mo]123456([Si](=[C]1=C2C(C)(C)C)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])[c]1([c]6([c]5([c]4([c]31C)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: 9.0724 ± 0.0005 Å
• b: 16.39 ± 0.0008 Å
• c: 9.9887 ± 0.0005 Å
• α: 90°
• β: 115.326 ± 0.0005°
• γ: 90°
• Cell volume: 1342.53 ± 0.12 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 0.826
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No