Information card for entry 4078509

Structure parameters

• Formula: C56 H74 N2 O12 Pd4
• Calculated formula: C56 H74 N2 O12 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: 10.0615 ± 0.0009 Å
• b: 12.7131 ± 0.0014 Å
• c: 13.9613 ± 0.0016 Å
• α: 111.25 ± 0.03°
• β: 104.54 ± 0.002°
• γ: 101.35 ± 0.02°
• Cell volume: 1526.9 ± 0.5 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: 0.1146
• Residual factor for significantly intense reflections: 0.0797
• Weighted residual factors for significantly intense reflections: 0.1982
• Weighted residual factors for all reflections included in the refinement: 0.2502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No