Information card for entry 7009617

Structure parameters

• Formula: C22 H30 Cl2 F8 N2 Ni2 P2
• Calculated formula: C22 H30 Cl2 F8 N2 Ni2 P2
• SMILES: [Ni]12([Ni](Cl)([P](CC)(CC)CC)([n]3c2c(F)c(F)c(F)c3F)c2[n]1c(F)c(F)c(F)c2F)(Cl)[P](CC)(CC)CC
• Title of publication: Chemistry of nickel tetrafluoropyridyl derivatives: their versatile behaviour with Brønsted acids and the Lewis acid BF3 †
• Authors of publication: Archibald, Stephen J.; Braun, Thomas; Gaunt, Joseph A.; Hobson, James E.; Perutz, Robin N.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 13
• Pages of publication: 2013
• a: 13.519 ± 0.003 Å
• b: 14.205 ± 0.007 Å
• c: 15.858 ± 0.003 Å
• α: 90°
• β: 101.188 ± 0.017°
• γ: 90°
• Cell volume: 2987.5 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0963
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No