Information card for entry 7129233

Structure parameters

• Formula: C56 H65 Cl2 N2 O2 P Ru Sn
• Calculated formula: C56 H65 Cl2 N2 O2 P Ru Sn
• SMILES: [Sn]12([Ru]34567(Cl)([P](c8c9c2cccc9ccc8)(c2ccccc2)c2ccccc2)[c]2([cH]3[cH]4[c]5([cH]6[cH]72)C)C(C)C)[N](Cc2c1c(ccc2)CN(C)C)(C)C.O.O.[Cl-].c1ccccc1.c1ccccc1
• 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: 9.5879 ± 0.0004 Å
• b: 15.9384 ± 0.0007 Å
• c: 17.1123 ± 0.0007 Å
• α: 96.625 ± 0.002°
• β: 103.202 ± 0.002°
• γ: 94.788 ± 0.002°
• Cell volume: 2512.56 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0516
• Weighted residual factors for all reflections included in the refinement: 0.0541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No