Information card for entry 4075069

Structure parameters

• Formula: C42 H63 Mo N O2 Si2
• Calculated formula: C42 H63 Mo N O2 Si2
• SMILES: [Mo]1234(=[Si]5([N](=C5c5c(C)cc(cc5C)C)C(CC(C)(C)C)(C)C)c5c(C)cc(C)cc5C)([Si](C)(C)C)([c]5([c]2([c]4([c]1(C)[c]35C)C)C)C)(C#[O])C#[O]
• 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: 13.5552 ± 0.0008 Å
• b: 12.8074 ± 0.0007 Å
• c: 24.5519 ± 0.0017 Å
• α: 90°
• β: 104.986 ± 0.002°
• γ: 90°
• Cell volume: 4117.4 ± 0.4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0852
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.1858
• Weighted residual factors for all reflections included in the refinement: 0.2158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.296
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No