Information card for entry 7049556

Structure parameters

• Formula: C31 H36 Cl2 N P Ru S2
• Calculated formula: C31 H36 Cl2 N P Ru S2
• Title of publication: Acceptorless dehydrogenative construction of C[double bond, length as m-dash]N and C[double bond, length as m-dash]C bonds through catalytic aza-Wittig and Wittig reactions in the presence of an air-stable ruthenium pincer complex.
• Authors of publication: Biswas, Nandita; Das, Kalicharan; Sardar, Bitan; Srimani, Dipankar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 19
• Pages of publication: 6501 - 6512
• a: 10.7565 ± 0.0006 Å
• b: 12.0194 ± 0.0007 Å
• c: 12.736 ± 0.0008 Å
• α: 90.215 ± 0.005°
• β: 92.041 ± 0.005°
• γ: 107.252 ± 0.005°
• Cell volume: 1571.34 ± 0.17 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: 0.0705
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1385
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No