Information card for entry 1566663

Structure parameters

• Chemical name: Potassium (hydrido carbonyl dimethylsulfoxido N,Nï>?-bis(diphenylphosphino)-2,6-diamidopyridino ruthenate (II))
• Formula: C36 H37 K N3 O3 P2 Ru S
• Calculated formula: C36 H37 K N3 O3 P2 Ru S
• Title of publication: Two step activation of Ru-PN3P pincer catalysts for CO2 hydrogenation
• Authors of publication: Tossaint, Alex S.; Rebreyend, Christophe; Sinha, Vivek; Weber, Manuela; Canossa, Stefano; Pidko, Evgeny A.; Filonenko, Georgy A.
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 9
• Pages of publication: 2972 - 2977
• a: 12.6529 ± 0.0005 Å
• b: 18.7504 ± 0.0006 Å
• c: 15.5836 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3697.2 ± 0.2 ų
• Cell temperature: 104.9 K
• Ambient diffraction temperature: 104.9 K
• Number of distinct elements: 8
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1374
• Weighted residual factors for all reflections included in the refinement: 0.1467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No