Information card for entry 4078507

Structure parameters

• Common name: 4
• Formula: C32 H60 O14 Pd4
• Calculated formula: C32 H60 O14 Pd4
• SMILES: [Pd]12([O]=C(C(C)(C)C)O[Pd]([O]=C(O1)C(C)(C)C)([O]=C(O[Pd]13[O]=C(C(C)(C)C)O[Pd]4([O]=C(O2)C(C)(C)C)[O]=C(O1)C(C)(C)C)C(C)(C)C)[O]3C)[O]4C
• 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: 24.476 ± 0.002 Å
• b: 15.3364 ± 0.0018 Å
• c: 12.3243 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4626.2 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0844
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No