Information card for entry 4078508

Structure parameters

• Formula: C44 H50 N2 O10 Pd4
• Calculated formula: C44 H50 N2 O10 Pd4
• Title of publication: Mechanistic Insight into the Regioselective Palladation of Indole Derivatives: Tetranuclear Indolyl Palladacycles with High C2–Pd or C3–Pd Bond Selectivity
• Authors of publication: Li, Yang; Wang, Wen-Hua; He, Ke-Han; Shi, Zhang-Jie
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 12
• Pages of publication: 4397
• a: 12.3044 ± 0.0012 Å
• b: 13.5915 ± 0.0015 Å
• c: 15.5969 ± 0.0018 Å
• α: 102.283 ± 0.001°
• β: 97.255 ± 0.001°
• γ: 113.191 ± 0.002°
• Cell volume: 2277.7 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1757
• Residual factor for significantly intense reflections: 0.0803
• Weighted residual factors for significantly intense reflections: 0.1909
• Weighted residual factors for all reflections included in the refinement: 0.2595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No