Information card for entry 7049554

Structure parameters

• Formula: C37 H35 Cl2 N P Ru S2
• Calculated formula: C37 H35 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: 9.7186 ± 0.0006 Å
• b: 11.8743 ± 0.0007 Å
• c: 18.0974 ± 0.0011 Å
• α: 71.496 ± 0.004°
• β: 79.588 ± 0.004°
• γ: 79.316 ± 0.004°
• Cell volume: 1929.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0906
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1626
• Weighted residual factors for all reflections included in the refinement: 0.1827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No