Information card for entry 1543783

Structure parameters

• Formula: C17 H36 Cl2 N6 Ni P2
• Calculated formula: C17 H36 Cl2 N6 Ni P2
• Title of publication: Air-Stable Triazine-Based Ni(II) PNP Pincer Complexes As Catalysts for the Suzuki-Miyaura Cross-Coupling.
• Authors of publication: Mastalir, Matthias; Stöger, Berthold; Pittenauer, Ernst; Allmaier, Günter; Kirchner, Karl
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 13
• Pages of publication: 3186 - 3189
• a: 18.1927 ± 0.0018 Å
• b: 14.0509 ± 0.0014 Å
• c: 21.446 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5482.1 ± 0.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections included in the refinement: 0.0536
• Goodness-of-fit parameter for significantly intense reflections: 2.42
• Goodness-of-fit parameter for all reflections included in the refinement: 2.13
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No