Information card for entry 7239268

Structure parameters

• Formula: C41 H37.5 N4.5 O P2 Ru S2
• Calculated formula: C42 H36 N4.5 O P2 Ru S2
• Title of publication: Unusual chemical transformations of acetone thiosemicarbazone mediated by ruthenium: C‒H bond activation, thiolation, and C‒N bond cleavage
• Authors of publication: Paul, Piyali; Seth, Dipravath Kumar; Richmond, Michael G.; Bhattacharya, Samaresh
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 3
• Pages of publication: 1432
• a: 12.436 ± 0.005 Å
• b: 12.863 ± 0.005 Å
• c: 13.394 ± 0.005 Å
• α: 94.291 ± 0.005°
• β: 94.205 ± 0.005°
• γ: 104.931 ± 0.005°
• Cell volume: 2054.9 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1089
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1669
• Weighted residual factors for all reflections included in the refinement: 0.1947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No