Information card for entry 4075068

Structure parameters

• Formula: C33 H46 Mo O2 Si2
• Calculated formula: C33 H46 Mo O2 Si2
• SMILES: C(#[O])[Mo]1234(C#[O])([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)([Si](C)(C)C)=[Si](c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Synthesis and Reactivity of a Donor-Free (Silyl)(silylene)molybdenum Complex: Novel Insertion Reaction of an Isocyanide into a Si−C Bond
• Authors of publication: Hirotsu, Masakazu; Nunokawa, Takehiko; Ueno, Keiji
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 7
• Pages of publication: 1554
• a: 22.0107 ± 0.0018 Å
• b: 12.6962 ± 0.001 Å
• c: 15.0501 ± 0.0013 Å
• α: 90°
• β: 128.556 ± 0.002°
• γ: 90°
• Cell volume: 3288.9 ± 0.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No