Information card for entry 1574209

Structure parameters

• Chemical name: KT-54
• Formula: C56 H86 Mo N2 O4 Si5
• Calculated formula: C56 H86 Mo N2 O4 Si5
• SMILES: [Mo]1234([Si]5(OC(=N\c6c(cc(cc6C)C)C)\O5)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#[O])(C#[O])(C#[N]c5c(cc(cc5C)C)C)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C
• 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: 14.6764 ± 0.0003 Å
• b: 15.6767 ± 0.0003 Å
• c: 26.4415 ± 0.0004 Å
• α: 90°
• β: 93.7959 ± 0.0016°
• γ: 90°
• Cell volume: 6070.25 ± 0.19 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• 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: 0.066
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No