Information card for entry 1573418

Structure parameters

• Formula: C24 H26 Cl N O Pd Se
• Calculated formula: C24 H26 Cl N O Pd Se
• SMILES: [Pd]12(c3c(C=[N]2C24CC5CC(C2)CC(C5)C4)cccc3OC[Se]1c1ccccc1)Cl
• Title of publication: Pd(ii) NCSe–pincer complexes for regioselective cross-dehydrogenative coupling of arylthiophenes with hetero(arenes)
• Authors of publication: Singh, Sohan; Mahala, Suman; Bhuvanesh, Nattamai; Joshi, Hemant
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 2
• Pages of publication: 523 - 536
• a: 6.7272 ± 0.0005 Å
• b: 20.8455 ± 0.0015 Å
• c: 15.5747 ± 0.0011 Å
• α: 90°
• β: 92.371 ± 0.003°
• γ: 90°
• Cell volume: 2182.2 ± 0.3 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0212
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0512
• Weighted residual factors for all reflections included in the refinement: 0.0513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No