Information card for entry 4348403

Structure parameters

• Formula: C19 H26 B Br F4 N Ni O P
• Calculated formula: C19 H26 B Br F4 N Ni O P
• Title of publication: Arene C(sp(2))-H Metalation at Ni(II) Modeled with a Reactive PONCPh Ligand.
• Authors of publication: Jongbloed, Linda S.; García-López, Diego; van Heck, Richard; Siegler, Maxime A.; Carbó, Jorge J; van der Vlugt, Jarl Ivar
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 16
• Pages of publication: 8041 - 8047
• a: 7.8324 ± 0.0005 Å
• b: 12.702 ± 0.0008 Å
• c: 22.4682 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2235.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No