Information card for entry 1574212

Structure parameters

• Chemical name: KT-125
• Formula: C45 H75 Mo N O2 Si5
• Calculated formula: C45 H75 Mo N O2 Si5
• SMILES: [Mo]12345([Si](=[N]1c1c(cc(cc1C)C)C)c1c(cc(cc1C([Si](C)(C)C)[Si](C)(C)C)C(C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)([c]1([c]2([c]3([c]4([c]51C)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: 13.2535 ± 0.0004 Å
• b: 22.9327 ± 0.0008 Å
• c: 16.6254 ± 0.0005 Å
• α: 90°
• β: 98.153 ± 0.002°
• γ: 90°
• Cell volume: 5002 ± 0.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.0818
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No