Information card for entry 7049555

Structure parameters

• Formula: C64 H58 Cl4 N4 P2 Ru2 S2
• Calculated formula: C64 H58 Cl4 N4 P2 Ru2 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: 10.137 ± 0.0004 Å
• b: 11.4066 ± 0.0004 Å
• c: 16.0632 ± 0.0006 Å
• α: 73.196 ± 0.002°
• β: 80.92 ± 0.002°
• γ: 67.294 ± 0.002°
• Cell volume: 1638 ± 0.11 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: 0.0643
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No