Information card for entry 4086094

Structure parameters

• Formula: C17 H19 Mo N O2 S
• Calculated formula: C17 H19 Mo N O2 S
• SMILES: [Mo]12345(Sc6[n]1cccc6)(C#[O])(C#[O])[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• Title of publication: Direct Conversion of a Si‒C(aryl) Bond to Si‒Heteroatom Bonds in the Reactions of η3-α-Silabenzyl Molybdenum and Tungsten Complexes with 2-Substituted Pyridines
• Authors of publication: Kanno, Yuto; Komuro, Takashi; Tobita, Hiromi
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 15
• Pages of publication: 3699
• a: 14.0222 ± 0.0009 Å
• b: 8.879 ± 0.0007 Å
• c: 13.7537 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1712.4 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1599
• Weighted residual factors for all reflections included in the refinement: 0.1632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71067 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No