Information card for entry 7016348

Structure parameters

• Formula: C24 H30 Br2 N4 O2 Pd S
• Calculated formula: C24 H30 Br2 N4 O2 Pd S
• Title of publication: CSC-pincer versus pseudo-pincer complexes of palladium(ii): a comparative study on complexation and catalytic activities of NHC complexes.
• Authors of publication: Yuan, Dan; Tang, Haoyun; Xiao, Linfei; Huynh, Han Vinh
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 35
• Pages of publication: 8788 - 8795
• a: 20.645 ± 0.003 Å
• b: 4.9654 ± 0.0007 Å
• c: 26.635 ± 0.004 Å
• α: 90°
• β: 97.834 ± 0.003°
• γ: 90°
• Cell volume: 2704.9 ± 0.7 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No