Information card for entry 4348402

Structure parameters

• Formula: C19 H26 Br2 N Ni O P
• Calculated formula: C19 H26 Br2 N Ni O P
• SMILES: [Ni]1([P](Oc2[n]1c(c1ccccc1)ccc2)(C(C)(C)C)C(C)(C)C)(Br)Br
• 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: 23.101 ± 0.0011 Å
• b: 12.7869 ± 0.0006 Å
• c: 29.6524 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8759 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections included in the refinement: 0.0619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No