Information card for entry 1573417

Structure parameters

• Formula: C18 H20 Cl N O Pd Se
• Calculated formula: C18 H20 Cl N O Pd Se
• 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: 9.2684 ± 0.0003 Å
• b: 13.6019 ± 0.0004 Å
• c: 14.1589 ± 0.0005 Å
• α: 86.53 ± 0.001°
• β: 85.322 ± 0.001°
• γ: 82.685 ± 0.001°
• Cell volume: 1762.29 ± 0.1 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 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: 0.0197
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.0513
• Weighted residual factors for all reflections included in the refinement: 0.0516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No