Information card for entry 7049891

Structure parameters

• Formula: C39 H43 Cl N3 P Pd S
• Calculated formula: C39 H43 Cl N3 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: 10.0673 ± 0.0007 Å
• b: 20.0097 ± 0.0013 Å
• c: 17.8258 ± 0.0012 Å
• α: 90°
• β: 98.505 ± 0.002°
• γ: 90°
• Cell volume: 3551.4 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No