Information card for entry 4085596

Structure parameters

• Formula: C30 H39 Mo N O2 Si
• Calculated formula: C30 H39 Mo N O2 Si
• SMILES: [Mo]12345([NH]([Si](C1C(C)C)(c1ccccc1)c1ccccc1)CC)(C#[O])(C#[O])[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• Title of publication: η3-Silaallyl/Alkenylsilyl Molybdenum Complex: Synthesis, Structure, and Reactivity toward Primary Amines To Form Mo‒N‒Si Three-Membered Cyclic Complexes
• Authors of publication: Sakaba, Hiroyuki; Tonosaki, Hiroki; Isozaki, Kazuyoshi; Kwon, Eunsang
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 6
• Pages of publication: 1029
• a: 8.915 ± 0.003 Å
• b: 19.109 ± 0.005 Å
• c: 17.452 ± 0.005 Å
• α: 90°
• β: 102.648 ± 0.003°
• γ: 90°
• Cell volume: 2900.9 ± 1.5 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No