Information card for entry 7049892

Structure parameters

• Formula: C22 H27 Cl3 N P Pd S
• Calculated formula: C22 H27 Cl3 N P Pd S
• Title of publication: Palladium pincer complexes featuring an unsymmetrical SCN indene-based ligand with a hemilabile pyridine sidearm.
• Authors of publication: Brunel, Paul; Lhardy, Chloé; Mallet-Ladeira, Sonia; Monot, Julien; Martin-Vaca, Blanca; Bourissou, Didier
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 26
• Pages of publication: 9801 - 9806
• a: 9.065 ± 0.0005 Å
• b: 10.744 ± 0.0006 Å
• c: 13.3785 ± 0.0008 Å
• α: 80.298 ± 0.002°
• β: 75.096 ± 0.002°
• γ: 78.795 ± 0.002°
• Cell volume: 1225.46 ± 0.12 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No