Information card for entry 1569548

Structure parameters

• Formula: C32 H34 Cl2 F12 N4 P2 Ru
• Calculated formula: C32 H34 Cl2 F12 N4 P2 Ru
• 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: 20.26618 ± 0.00017 Å
• b: 10.02851 ± 0.00008 Å
• c: 20.44489 ± 0.00017 Å
• α: 90°
• β: 101.764 ± 0.0009°
• γ: 90°
• Cell volume: 4067.94 ± 0.06 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 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: 0.0397
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No