Information card for entry 1572165

Structure parameters

• Formula: C48 H69 Cl2 N O Ru
• Calculated formula: C36 H45 Cl2 N O Ru
• Title of publication: Streamlined synthetic assembly of α-chiral CAAC ligands and catalytic performance of their copper and ruthenium complexes.
• Authors of publication: Madron du Vigné, Adrien; Cramer, Nicolai
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 34
• Pages of publication: 13864 - 13871
• a: 18.5489 ± 0.0009 Å
• b: 8.927 ± 0.0004 Å
• c: 27.5267 ± 0.0011 Å
• α: 90°
• β: 109.441 ± 0.005°
• γ: 90°
• Cell volume: 4298.2 ± 0.4 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0966
• Residual factor for significantly intense reflections: 0.0852
• Weighted residual factors for significantly intense reflections: 0.2177
• Weighted residual factors for all reflections included in the refinement: 0.2261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No