Information card for entry 4067064

Structure parameters

• Formula: C37 H32 Cl2 F6 N4 O4 Pd2 S2
• Calculated formula: C37 H32 Cl2 F6 N4 O4 Pd2 S2
• Title of publication: Dinuclear and Tetranuclear Palladium(II) Complexes of a Thiolato-Functionalized, Benzannulated N-Heterocyclic Carbene Ligand and Their Activities toward Suzuki−Miyaura Coupling
• Authors of publication: Yuan, Dan; Huynh, Han Vinh
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 22
• Pages of publication: 6020
• a: 20.9496 ± 0.0007 Å
• b: 21.0979 ± 0.0007 Å
• c: 36.6305 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16190.4 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No