Information card for entry 4518627

Structure parameters

• Formula: C39.5 H46.5 Cl2 N4 O3.5 P Pd
• Calculated formula: C39.5 H46.5 Cl2 N4 O3.5 P Pd
• Title of publication: DMPDAB‒Pd‒MAH: A Versatile Pd(0) Source for Precatalyst Formation, Reaction Screening, and Preparative-Scale Synthesis
• Authors of publication: Huang, Jingjun; Isaac, Matthew; Watt, Ryan; Becica, Joseph; Dennis, Emma; Saidaminov, Makhsud I.; Sabbers, William A.; Leitch, David C.
• Journal of publication: ACS Catalysis
• Year of publication: 2021
• Pages of publication: 5636 - 5646
• a: 12.848 ± 0.002 Å
• b: 18.223 ± 0.003 Å
• c: 16.659 ± 0.003 Å
• α: 90°
• β: 99.686 ± 0.004°
• γ: 90°
• Cell volume: 3844.8 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No