Information card for entry 7129234

Structure parameters

• Formula: C44 H50 Cl N2 P Ru Sn
• Calculated formula: C44 H50 Cl N2 P Ru Sn
• SMILES: [Sn]12([Ru]3456(Cl)([P](c7c8c2cccc8ccc7)(c2ccccc2)c2ccccc2)[c]2([c]3([c]4([c]5([c]62C)C)C)C)C)[N](Cc2c1c(ccc2)CN(C)C)(C)C
• Title of publication: Sn,P-coordinated Ru cation: A robust catalyst for aerobic oxidations of benzylamine and benzyl alcohol
• Authors of publication: Jambor, Roman; Aman, Michal; Dostál, Libor; R°užička, Aleš; Tydlitat, Jiri; Beckmann, Jens; Turek, Jan
• Journal of publication: Chemical Communications
• Year of publication: 2021
• a: 32.4751 ± 0.0011 Å
• b: 11.7571 ± 0.0004 Å
• c: 10.4836 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4002.8 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0546
• Weighted residual factors for all reflections included in the refinement: 0.0594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No