Information card for entry 7121671

Structure parameters

• Formula: C12 H6 F6 N2 O8 Ru2
• Calculated formula: C12 H6 F6 N2 O8 Ru2
• Title of publication: Ligand-promoted ruthenium-catalyzed meta C-H chlorination of arenes using N-chloro-2,10-camphorsultam.
• Authors of publication: Fan, Zhoulong; Lu, Heng; Cheng, Zhen; Zhang, Ao
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 47
• Pages of publication: 6008 - 6011
• a: 14.2908 ± 0.0011 Å
• b: 8.8234 ± 0.0007 Å
• c: 15.2802 ± 0.0012 Å
• α: 90°
• β: 101.799 ± 0.002°
• γ: 90°
• Cell volume: 1886 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• 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: 0.047
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No