Information card for entry 7110393

Structure parameters

• Formula: C23 H38 N5 O5 Ru S2
• Calculated formula: C23 H38 N5 O5 Ru S2
• Title of publication: Ruthenium-mediated amidation of saturated C–H bonds and crystal structure of a bis(tosyl)amidoruthenium(III) complex of 1,4,7-trimethyl-1,4,7-triazacyclononane
• Authors of publication: Au, Sze-Man; Zhang, Suo-Bo; Fung, Wai-Hong; Yu, Wing-Yiu; Che, Chi-Ming; Cheung, Kung-Kai
• Journal of publication: Chemical Communications
• Year of publication: 1998
• Journal issue: 24
• Pages of publication: 2677
• a: 12.129 ± 0.002 Å
• b: 15.969 ± 0.003 Å
• c: 16.202 ± 0.003 Å
• α: 90°
• β: 108.49 ± 0.02°
• γ: 90°
• Cell volume: 2976.1 ± 1 ų
• Cell temperature: 301.2 K
• Ambient diffraction temperature: 301.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.0502
• Goodness-of-fit parameter for significantly intense reflections: 1.679
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No