Information card for entry 4120936

Structure parameters

• Formula: C31 H57 Br Cl2 N4 Ni O2 P2
• Calculated formula: C31 H57 Br Cl2 N4 Ni O2 P2
• 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: 11.849 ± 0.0012 Å
• b: 12.0246 ± 0.0008 Å
• c: 14.9184 ± 0.0014 Å
• α: 96.481 ± 0.007°
• β: 108.989 ± 0.009°
• γ: 104.065 ± 0.007°
• Cell volume: 1906.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1108
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No