Information card for entry 4126681

Structure parameters

• Common name: SIA-VI-210
• Chemical name: hartwig143
• Formula: C44.5 H39 F2 Fe N P2 Pd
• Calculated formula: C44.5 H39 F2 Fe N P2 Pd
• SMILES: C(C#N)(F)(F)[Pd]1(c2ccccc2)[P](c2ccccc2)(c2ccccc2)[c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[cH]3[cH]2[cH]7[cH]8[c]93[P]1(c1ccccc1)c1ccccc1.CCCCC
• Title of publication: Synthesis, Characterization, and Reactivity of Palladium Fluoroenolate Complexes.
• Authors of publication: Arlow, Sophie I.; Hartwig, John F.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 11.2279 ± 0.0004 Å
• b: 18.1228 ± 0.0006 Å
• c: 19.9202 ± 0.0007 Å
• α: 99.664 ± 0.001°
• β: 103.879 ± 0.002°
• γ: 100.633 ± 0.001°
• Cell volume: 3770.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No