Information card for entry 7056579

Structure parameters

• Formula: C27 H20 Cl4 N4 Pd2 S2
• Calculated formula: C27 H20 Cl4 N4 Pd2 S2
• Title of publication: Palladacycles having normal and spiro chelate rings designed from bi- and tridentate ligands with indole core: structure, synthesis and applications as catalysts
• Authors of publication: Singh, Ajai kumar; Singh, Mahabir Pratap; Saleem, Fariha; Pal, Ram Sahay
• Journal of publication: New J. Chem.
• Year of publication: 2017
• a: 14.7535 ± 0.0016 Å
• b: 13.5197 ± 0.0015 Å
• c: 15.5348 ± 0.0017 Å
• α: 90°
• β: 111.195 ± 0.002°
• γ: 90°
• Cell volume: 2889 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No