Information card for entry 7051033

Structure parameters

• Chemical name: nickelbis(triethylphosphine)(eta2‒1,2-octafluoronaphthalene)
• Formula: C22 H30 F8 Ni P2
• Calculated formula: C22 H30 F8 Ni P2
• SMILES: [Ni]1([P](CC)(CC)CC)([P](CC)(CC)CC)[c]2(F)c3c(c(F)c(F)c(F)c3F)c(c(F)[c]12F)F
• Title of publication: Coordination and oxidative addition of octafluoronaphthalene at a nickel centre: isolation of an intermediate in C‒F bond activation
• Authors of publication: Braun, Thomas; Cronin, Leroy; Higgitt, Catherine L.; McGrady, John E.; Perutz, Robin N.; Reinhold, Meike
• Journal of publication: New Journal of Chemistry
• Year of publication: 2001
• Journal volume: 25
• Journal issue: 1
• Pages of publication: 19
• a: 11.344 ± 0.01 Å
• b: 12.614 ± 0.016 Å
• c: 9.846 ± 0.013 Å
• α: 112.43 ± 0.1°
• β: 96.62 ± 0.1°
• γ: 98.5 ± 0.09°
• Cell volume: 1265 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0857
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for all reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections: 1.014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No