Information card for entry 7129347

Structure parameters

• Chemical name: [Ni(dnppe)(Ph-F)(I)]
• Formula: C20 H36 F I Ni P2
• Calculated formula: C20 H36 F I Ni P2
• SMILES: I[Ni]1([P](CC[P]1(CCC)CCC)(CCC)CCC)c1ccc(F)cc1
• Title of publication: Competitive gold/nickel transmetalation
• Authors of publication: Demchuk, Mitchell J.; Zurakowski, Joseph A.; Austen, Brady J. H.; Nelson, David J.; Drover, Marcus W.
• Journal of publication: Chemical Communications
• Year of publication: 2021
• a: 8.5374 ± 0.0003 Å
• b: 9.2036 ± 0.0004 Å
• c: 17.4252 ± 0.0007 Å
• α: 95.226 ± 0.002°
• β: 93.002 ± 0.002°
• γ: 116.853 ± 0.001°
• Cell volume: 1209.71 ± 0.08 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.0255
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0564
• Weighted residual factors for all reflections included in the refinement: 0.0569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No