Information card for entry 7061440

Structure parameters

• Formula: C27 H26 B Cl3 F4 N P Pd S2
• Calculated formula: C27 H26 B Cl3 F4 N P Pd S2
• Title of publication: Experimental and theoretical insights into the trans influence of organo-sulfur and -selenium ligands in 5,6-membered palladium(ii) cationic pincer complexes based on iminophosphoranes
• Authors of publication: Rodríguez-Álvarez, Aurora; González-Espinoza, Cristina E.; Martínez-De-León, Carla Gabriela; Carrillo-Tripp, Mauricio; Hô, Minhhuy; Grévy, Jean-Michel
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 19
• Pages of publication: 9344 - 9356
• a: 10.3604 ± 0.0004 Å
• b: 12.8764 ± 0.0005 Å
• c: 12.9364 ± 0.0007 Å
• α: 65.103 ± 0.005°
• β: 73.145 ± 0.004°
• γ: 74.459 ± 0.004°
• Cell volume: 1476.85 ± 0.13 ų
• Cell temperature: 100 ± 0.4 K
• Ambient diffraction temperature: 100 ± 0.4 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No