Information card for entry 7720849

Structure parameters

• Formula: C103 H82 Cl2 N2 O3 Pd
• Calculated formula: C103 H82 Cl2 N2 O3 Pd
• Title of publication: A Robust [Pd(BIAN-IPr#)Cl2(H2O)] Catalyst Employing Water as a Disposable Ligand for C–S Cross Coupling of Aryl Chlorides and Thiols
• Authors of publication: Quan, Ziyi; Wang, Zheng; Liu, Yaxu; Sun, Yuanchao; Wang, Bo
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 21.3042 ± 0.0002 Å
• b: 25.7788 ± 0.0002 Å
• c: 29.4625 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16180.7 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0973
• Residual factor for significantly intense reflections: 0.0861
• Weighted residual factors for significantly intense reflections: 0.2434
• Weighted residual factors for all reflections included in the refinement: 0.2563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No