Information card for entry 4067065

Structure parameters

• Formula: C70 H74 B2 Br2 F8 N10 O3 Pd4 S4
• Calculated formula: C70 H74 B2 Br2 F8 N10 O3 Pd4 S4
• 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: 12.922 ± 0.003 Å
• b: 13.527 ± 0.003 Å
• c: 23.326 ± 0.005 Å
• α: 90°
• β: 91.314 ± 0.005°
• γ: 90°
• Cell volume: 4076.2 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1525
• Residual factor for significantly intense reflections: 0.0869
• Weighted residual factors for significantly intense reflections: 0.2116
• Weighted residual factors for all reflections included in the refinement: 0.2448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No