Information card for entry 7049352

Structure parameters

• Formula: C27 H22 Cl O P S
• Calculated formula: C27 H22 Cl O P S
• Title of publication: Investigating palladium pincer complexes in catalytic asymmetric hydrophosphination and hydroarsination.
• Authors of publication: Tay, Wee Shan; Yang, Xiang-Yuan; Li, Yongxin; Pullarkat, Sumod A.; Leung, Pak-Hing
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 14
• Pages of publication: 4602 - 4610
• a: 6.4374 ± 0.0002 Å
• b: 17.222 ± 0.0007 Å
• c: 21.0699 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2335.91 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0864
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No