Information card for entry 4342630

Structure parameters

• Formula: C29 H27 Cl2 F6 N4 O2 P Ru S
• Calculated formula: C29 H27 Cl2 F6 N4 O2 P Ru S
• Title of publication: Enantioselective Syntheses of Sulfoxides in Octahedral Ruthenium(II) Complexes via a Chiral-at-Metal Strategy.
• Authors of publication: Li, Zheng-Zheng; Wen, A-Hao; Yao, Su-Yang; Ye, Bao-Hui
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 2726 - 2733
• a: 21.565 ± 0.0002 Å
• b: 8.796 ± 0.0001 Å
• c: 17.914 ± 0.0002 Å
• α: 90°
• β: 105.105 ± 0.001°
• γ: 90°
• Cell volume: 3280.63 ± 0.06 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 9
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No