Information card for entry 4083034

Structure parameters

• Formula: C24 H31 Br Ni O2 P2
• Calculated formula: C24 H31 Br Ni O2 P2
• SMILES: Br[Ni](c1c(cccc1OC)OC)([P](c1ccccc1)(C)C)[P](c1ccccc1)(C)C
• Title of publication: A Broadly Applicable Strategy for Entry into Homogeneous Nickel(0) Catalysts from Air-Stable Nickel(II) Complexes.
• Authors of publication: Standley, Eric A.; Smith, Stacey J.; Müller, Peter; Jamison, Timothy F.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 8
• Pages of publication: 2012 - 2018
• a: 10.0063 ± 0.0011 Å
• b: 10.9419 ± 0.0012 Å
• c: 12.6991 ± 0.0013 Å
• α: 112.352 ± 0.002°
• β: 91.166 ± 0.002°
• γ: 105.448 ± 0.002°
• Cell volume: 1227.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0198
• Residual factor for significantly intense reflections: 0.0177
• Weighted residual factors for significantly intense reflections: 0.0452
• Weighted residual factors for all reflections included in the refinement: 0.0459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No