Information card for entry 4120937

Structure parameters

• Formula: C123 H168 Br2 Cu2 N8 Ni2 O4 Si4
• Calculated formula: C123 H168 Br2 Cu2 N8 Ni2 O4 Si4
• Title of publication: From Bis(silylene) and Bis(germylene) Pincer-Type Nickel(II) Complexes to Isolable Intermediates of the Nickel-Catalyzed Sonogashira Cross-Coupling Reaction
• Authors of publication: Daniel Gallego; Andreas Brück; Elisabeth Irran; Florian Meier; Martin Kaupp; Matthias Driess; John F. Hartwig
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 15617 - 15626
• a: 34.2351 ± 0.0008 Å
• b: 19.3827 ± 0.0003 Å
• c: 18.1672 ± 0.0003 Å
• α: 90°
• β: 92.62 ± 0.002°
• γ: 90°
• Cell volume: 12042.6 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0898
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.1761
• Weighted residual factors for all reflections included in the refinement: 0.1899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.535
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No