Information card for entry 7158098

Structure parameters

• Formula: C42 H48 B12 I12 N6 P2 Zn
• Calculated formula: C42 H48 B12 I12 N6 P2 Zn
• SMILES: [Zn]12([P](Cc3cccc([n]13)C)(Cc1cccc(n1)C)Cc1cccc(n1)C)[P](Cc1cccc([n]21)C)(Cc1cccc(n1)C)Cc1cccc(n1)C.[B]1234([B]567([B]892([B]2%101([B]1%119([B]958([B]581([B]12%11([B]2%118([B]695([B]47%11([B]3%1012I)I)I)I)I)I)I)I)I)I)I)I
• 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: 22.1697 ± 0.0006 Å
• b: 14.6015 ± 0.0004 Å
• c: 23.0686 ± 0.0006 Å
• α: 90°
• β: 105.685 ± 0.001°
• γ: 90°
• Cell volume: 7189.5 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• 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: 0.0458
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections included in the refinement: 0.0605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No