Information card for entry 4348475

Structure parameters

• Formula: C22 H30 B Cl F4 N2 O Pd
• Calculated formula: C22 H30 B0.999 Cl F3.996 N2 O Pd
• Title of publication: Reversible Redox Chemistry and Catalytic C(sp(3))-H Amination Reactivity of a Paramagnetic Pd Complex Bearing a Redox-Active o-Aminophenol-Derived NNO Pincer Ligand.
• Authors of publication: Broere, Daniël L J; van Leest, Nicolaas P.; de Bruin, Bas; Siegler, Maxime A.; van der Vlugt, Jarl Ivar
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 17
• Pages of publication: 8603 - 8611
• a: 7.3768 ± 0.0004 Å
• b: 12.0798 ± 0.0007 Å
• c: 15.1667 ± 0.0009 Å
• α: 93.531 ± 0.003°
• β: 89.979 ± 0.004°
• γ: 107.76 ± 0.003°
• Cell volume: 1284.41 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No