Information card for entry 4085597

Structure parameters

• Formula: C27 H33 Mo N O2 Si
• Calculated formula: C27 H33 Mo N O2 Si
• SMILES: [Mo]12345([NH]([Si]1(c1ccccc1)c1ccccc1)C(C)C)(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: 9.17 ± 0.003 Å
• b: 14.916 ± 0.005 Å
• c: 19 ± 0.007 Å
• α: 90°
• β: 92.58 ± 0.004°
• γ: 90°
• Cell volume: 2596.2 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No