Information card for entry 4080825

Structure parameters

• Formula: C33 H36 Mo O2 Si
• Calculated formula: C33 H36 Mo O2 Si
• SMILES: [Mo]12345([Si]([C]16=CC=C(C=C6)C)(c1ccc(cc1)C)c1ccc(cc1)C)(C#[O])(C#[O])[c]1([c]2([c]5([c]4([c]31C)C)C)C)C
• Title of publication: Synthesis, Structure, and Reactions of a (η3-α-silabenzyl)molybdenum Complex: A Synthetic Equivalent of a Coordinatively Unsaturated Silyl Complex
• Authors of publication: Komuro, Takashi; Kanno, Yuto; Tobita, Hiromi
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 9
• Pages of publication: 2795
• a: 8.4574 ± 0.0002 Å
• b: 32.8279 ± 0.0007 Å
• c: 10.3808 ± 0.0003 Å
• α: 90°
• β: 92.5371 ± 0.0011°
• γ: 90°
• Cell volume: 2879.29 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.295
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No