Information card for entry 7711806

Structure parameters

• Formula: C38 H51 Mo N O3 Si2
• Calculated formula: C38 H51 Mo N O3 Si2
• SMILES: C(#[O])[Mo]1234(C#[O])([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)(O[Si](c1c(cc(cc1C)C)C)(c1c(cc(cc1C)C)C)[n]1ccccc1)[Si](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: 32.545 ± 0.005 Å
• b: 13.0056 ± 0.0018 Å
• c: 17.608 ± 0.003 Å
• α: 90°
• β: 97.278 ± 0.003°
• γ: 90°
• Cell volume: 7393 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No