Information card for entry 7158097

Structure parameters

• Formula: C21 H24 Cl2 N3 P Zn
• Calculated formula: C21 H24 Cl2 N3 P Zn
• SMILES: [Zn]1(Cl)([P](Cc2cccc(C)n2)(Cc2cccc(C)n2)Cc2cccc(C)[n]12)Cl
• Title of publication: An air-stable, Zn²⁺-based catalyst for hydrosilylation of alkenes and alkynes.
• Authors of publication: Groutchik, Kristina; Jaiswal, Kuldeep; Dobrovetsky, Roman
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 25
• Pages of publication: 5544 - 5550
• a: 7.9597 ± 0.0006 Å
• b: 20.1364 ± 0.0017 Å
• c: 13.5168 ± 0.001 Å
• α: 90°
• β: 96.857 ± 0.004°
• γ: 90°
• Cell volume: 2151 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.049
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No