Information card for entry 1569547

Structure parameters

• Formula: C32 H31 F3 N4 O3 Ru S
• Calculated formula: C32 H31 F3 N4 O3 Ru S
• Title of publication: Efficient additive-free formic acid dehydrogenation with a NNN–ruthenium complex
• Authors of publication: Knörr, Pascal; Lentz, Nicolas; Albrecht, Martin
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 19
• Pages of publication: 5625 - 5631
• a: 18.9076 ± 0.0003 Å
• b: 11.49805 ± 0.00018 Å
• c: 14.5081 ± 0.0002 Å
• α: 90°
• β: 100.559 ± 0.0015°
• γ: 90°
• Cell volume: 3100.66 ± 0.08 ų
• Cell temperature: 173.01 ± 0.1 K
• Ambient diffraction temperature: 173.01 ± 0.1 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: 0.0818
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.2636
• Weighted residual factors for all reflections included in the refinement: 0.2785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.203
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No