Information card for entry 4078510

Structure parameters

• Formula: C48 H56 Cl2 N2 O8 Pd4
• Calculated formula: C48 H56 Cl2 N2 O8 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: 10.506 ± 0.0011 Å
• b: 14.4096 ± 0.0015 Å
• c: 18.235 ± 0.002 Å
• α: 68.559 ± 0.001°
• β: 81.929 ± 0.002°
• γ: 87.051 ± 0.002°
• Cell volume: 2544.1 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2153
• Residual factor for significantly intense reflections: 0.0881
• Weighted residual factors for significantly intense reflections: 0.192
• Weighted residual factors for all reflections included in the refinement: 0.2944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No