Information card for entry 7238610

Structure parameters

• Formula: C27 H24 N3 O2 P Pd
• Calculated formula: C27 H24 N3 O2 P Pd
• Title of publication: Mononuclear palladium and heterodinuclear palladium‒ruthenium complexes of semicarbazone ligands. Synthesis, characterization, and application in C‒C cross-coupling reactions
• Authors of publication: Datta, Sayanti; Kumar Seth, Dipravath; Halder, Sarmistha; Sheldrick, William S.; Mayer-Figge, Heike; Drew, Michael G. B.; Bhattacharya, Samaresh
• Journal of publication: RSC Advances
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 12
• Pages of publication: 5254
• a: 10.1264 ± 0.0009 Å
• b: 14.1165 ± 0.0012 Å
• c: 16.8322 ± 0.0012 Å
• α: 80.414 ± 0.007°
• β: 84.706 ± 0.007°
• γ: 78.503 ± 0.007°
• Cell volume: 2320.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0923
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No