Information card for entry 1566664

Structure parameters

• Formula: C100 H83 N6 O3 P6 Ru2
• Calculated formula: C100 H83 N6 O3 P6 Ru2
• 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: 14.8971 ± 0.0003 Å
• b: 22.753 ± 0.0004 Å
• c: 28.6172 ± 0.0004 Å
• α: 90°
• β: 100.332 ± 0.0006°
• γ: 90°
• Cell volume: 9542.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.05
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No