Information card for entry 4086090

Structure parameters

• Formula: C31 H33 Mo N O3 Si
• Calculated formula: C31 H33 Mo N O3 Si
• SMILES: [Mo]12345([Si](Oc6[n]1cccc6)(c1ccc(cc1)C)c1ccc(cc1)C)(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: 8.9641 ± 0.0007 Å
• b: 16.5715 ± 0.0013 Å
• c: 19.2964 ± 0.0011 Å
• α: 90°
• β: 95.1977 ± 0.0015°
• γ: 90°
• Cell volume: 2854.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.081
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.277
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No