Information card for entry 7036658

Structure parameters

• Chemical name: (pyr)2Ni(C4F8)
• Formula: C14 H10 F8 N2 Ni
• Calculated formula: C14 H10 F8 N2 Ni
• SMILES: c1cccc[n]1[Ni]1(C(C(F)(C(C1(F)F)(F)F)F)(F)F)[n]1ccccc1
• Title of publication: Brønsted acid-promoted C-F bond activation in [P,S]-ligated neutral and anionic perfluoronickelacyclopentanes.
• Authors of publication: Giffin, Kaitie A.; Korobkov, Ilia; Baker, R. Tom
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 45
• Pages of publication: 19587 - 19596
• a: 10.3161 ± 0.0013 Å
• b: 10.3161 ± 0.0013 Å
• c: 15.584 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1658.5 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No