Information card for entry 1545093

Structure parameters

• Formula: C54 H51 Cl O2 Ru
• Calculated formula: C54 H51 Cl O2 Ru
• Title of publication: Neutral chiral cyclopentadienyl Ru(ii)Cl catalysts enable enantioselective [2+2]-cycloadditions
• Authors of publication: Kossler, D.; Cramer, N.
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 3
• Pages of publication: 1862
• a: 10.9092 ± 0.0006 Å
• b: 12.5543 ± 0.0004 Å
• c: 15.2599 ± 0.0009 Å
• α: 86.71 ± 0.004°
• β: 83.989 ± 0.005°
• γ: 89.249 ± 0.004°
• Cell volume: 2074.99 ± 0.18 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1404
• Weighted residual factors for all reflections included in the refinement: 0.1545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No