Information card for entry 7238608

Structure parameters

• Formula: C67 H53 Cl N3 O3 P3 Pd Ru
• Calculated formula: C67 H53 Cl N3 O3 P3 Pd Ru
• 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: 19.145 ± 0.004 Å
• b: 26.722 ± 0.006 Å
• c: 26.88 ± 0.006 Å
• α: 66.307 ± 0.006°
• β: 89.242 ± 0.007°
• γ: 87.514 ± 0.007°
• Cell volume: 12581 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0985
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.1497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No