Information card for entry 7120130

Structure parameters

• Chemical name: [IPr*H][Pd(cin)Cl2]
• Formula: C79 H68 Cl4 N2 Pd
• Calculated formula: C79 H68 Cl4 N2 Pd
• Title of publication: A Simple Synthetic Entryway into Palladium Cross-Coupling Catalysis
• Authors of publication: Nolan, Steven P.; Nahra, Fady; zinser, caroline; brill, marcel; Cazin, Catherine S. J.; Slawin, Alexandra; Cordes, David Bradford; Meadows, Rebecca E.
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 24.916 ± 0.004 Å
• b: 12.0855 ± 0.0018 Å
• c: 42.544 ± 0.006 Å
• α: 90°
• β: 97.65 ± 0.004°
• γ: 90°
• Cell volume: 12697 ± 3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0855
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No