Information card for entry 4111996

Structure parameters

• Formula: C23.5 H45 Cl2 F6 N6 O13.5 Ru2
• Calculated formula: C23.5 H42 Cl2 F6 N6 O13.5 Ru2
• Title of publication: Alkene cis-Dihydroxylation by [(Me3tacn)(CF3CO2)RuVIO2]ClO4 (Me3tacn = 1,4,7-Trimethyl-1,4,7-triazacyclononane): Structural Characterization of [3 + 2] Cycloadducts and Kinetic Studies
• Authors of publication: Wing-Ping Yip; Wing-Yiu Yu; Nianyong Zhu; Chi-Ming Che
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 14239 - 14249
• a: 28.367 ± 0.006 Å
• b: 14.059 ± 0.003 Å
• c: 20.14 ± 0.004 Å
• α: 90°
• β: 94.21 ± 0.03°
• γ: 90°
• Cell volume: 8010 ± 3 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0975
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.2066
• Weighted residual factors for all reflections included in the refinement: 0.222
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No