Information card for entry 7711808

Structure parameters

• Formula: C33 H42 Mo O4 Si
• Calculated formula: C33 H42 Mo O4 Si
• SMILES: [Mo]123456(O[Si](O[C]2(=[CH2]1)C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(C#[O])(C#[O])[c]1([c]3([c]4([c]5([c]61C)C)C)C)C
• Title of publication: Synthesis and structure of a pyridine-stabilized silanone molybdenum complex and its reactions with PMe3 and acetone
• Authors of publication: Muraoka, Takako; Suzuki, Yuzuki; Tsuchimoto, Masato; Trigagema, Gama; Ueno, Keiji; Koyama, Shinji
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 12.343 ± 0.003 Å
• b: 14.711 ± 0.004 Å
• c: 16.766 ± 0.004 Å
• α: 90°
• β: 96.3 ± 0.005°
• γ: 90°
• Cell volume: 3025.9 ± 1.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 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 all reflections: 0.0809
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1415
• Weighted residual factors for all reflections included in the refinement: 0.1544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No