Information card for entry 4075810

Structure parameters

• Formula: C56.5 H47 Cl2 F N2 Ni P2
• Calculated formula: C56.5 H47 Cl2 F N2 Ni P2
• Title of publication: Catalytic C−C Coupling Reactions at Nickel by C−F Activation of a Pyrimidine in the Presence of a C−Cl Bond: The Crucial Role of Highly Reactive Fluoro Complexes
• Authors of publication: Steffen, Andreas; Sladek, Marianna I.; Braun, Thomas; Neumann, Beate; Stammler, Hans-Georg
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 16
• Pages of publication: 4057
• a: 12.436 ± 0.0002 Å
• b: 13.196 ± 0.0002 Å
• c: 15.318 ± 0.0003 Å
• α: 77.159 ± 0.0011°
• β: 72.601 ± 0.0009°
• γ: 83.734 ± 0.001°
• Cell volume: 2336.3 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No