Information card for entry 1542942

Structure parameters

• Formula: C49 H72 K N O P2 Pd
• Calculated formula: C49 H72 K N O P2 Pd
• Title of publication: Heterobimetallic Pd‒K carbene complexes via one-electron reductions of palladium radical carbenes
• Authors of publication: Cui, Peng; Hoffbauer, Melissa R.; Vyushkova, Mariya; Iluc, Vlad M.
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 7
• Pages of publication: 4444
• a: 10.2409 ± 0.0009 Å
• b: 18.169 ± 0.0015 Å
• c: 25.743 ± 0.002 Å
• α: 90°
• β: 90.553 ± 0.003°
• γ: 90°
• Cell volume: 4789.7 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0318
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0563
• Weighted residual factors for all reflections included in the refinement: 0.0582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No