Information card for entry 1574213

Structure parameters

• Chemical name: SH-49.02
• Formula: C36 H64 Mo O2 Si5
• Calculated formula: C36 H64 Mo O2 Si5
• SMILES: [Mo]1234(#[Si]c5c(cc(cc5C([Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)(C#[O])C#[O]
• Title of publication: Metal–silicon triple bonds: reactivity of the silylidyne complexes [Cp*(CO)2M≡Si–Tbb] (M = Cr – W)
• Authors of publication: Tomer, Kanishk; Schnakenburg, Gregor; Das, Ujjal; Filippou, Alexander C.
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 18
• Pages of publication: 7773 - 7793
• a: 11.5351 ± 0.0007 Å
• b: 12.8114 ± 0.0007 Å
• c: 15.6333 ± 0.0009 Å
• α: 75.707 ± 0.003°
• β: 73.035 ± 0.003°
• γ: 83.321 ± 0.003°
• Cell volume: 2138.9 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0835
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No