Information card for entry 4105386

Structure parameters

• Formula: C74 H74 Cl8 N10 Ni2 O8 S2
• Calculated formula: C74 H74 Cl8 N10 Ni2 O8 S2
• Title of publication: Dramatic Improvement in Catalyst Loadings and Molar Ratios of Coupling Partners for Ni/Cr-Mediated Coupling Reactions: Heterobimetallic Catalysts
• Authors of publication: Xiang Liu; James A. Henderson; Takeo Sasaki; Yoshito Kishi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 16678 - 16680
• a: 8.941 ± 0.003 Å
• b: 27.929 ± 0.009 Å
• c: 16.334 ± 0.005 Å
• α: 90°
• β: 105.848 ± 0.008°
• γ: 90°
• Cell volume: 3924 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1567
• Residual factor for significantly intense reflections: 0.0793
• Weighted residual factors for significantly intense reflections: 0.1646
• Weighted residual factors for all reflections included in the refinement: 0.1854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No