Information card for entry 7035759

Structure parameters

• Formula: C20.5 H26 Cl2 N4 Pd S2
• Calculated formula: C20.5 H26 Cl2 N4 Pd S2
• Title of publication: Synthesis, characterization, photophysical properties, and catalytic activity of an SCS bis(N-heterocyclic thione) (SCS-NHT) Pd pincer complex.
• Authors of publication: Tyson, Ginger E.; Tokmic, Kenan; Oian, Casey S.; Rabinovich, Daniel; Valle, Henry U.; Hollis, T. Keith; Kelly, John T.; Cuellar, Kristina A.; McNamara, Louis E.; Hammer, Nathan I.; Webster, Charles Edwin; Oliver, Allen G.; Zhang, Min
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 32
• Pages of publication: 14475 - 14482
• a: 31.218 ± 0.004 Å
• b: 9.2969 ± 0.0011 Å
• c: 18.482 ± 0.003 Å
• α: 90°
• β: 120.004 ± 0.003°
• γ: 90°
• Cell volume: 4645.2 ± 1.1 ų
• Cell temperature: 120.04 K
• Ambient diffraction temperature: 120.04 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: 0.0297
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0496
• Weighted residual factors for all reflections included in the refinement: 0.0521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No