Information card for entry 7050442

Structure parameters

• Formula: C17 H30 Cl F4 N Ni P2
• Calculated formula: C17 H30 Cl F4 N Ni P2
• SMILES: [Ni](Cl)([P](CC)(CC)CC)([P](CC)(CC)CC)c1c(F)c(F)c(F)nc1F
• Title of publication: 3-Fluoropyridyl nickel complexes as useful tools for the selective synthesis of new 2,4,5,6-tetrafluoropyridines: a route complementing the established methods to access fluorinated pyridines
• Authors of publication: Sladek, Marianna I.; Braun, Thomas; Neumann, Beate; Stammler, Hans-Georg
• Journal of publication: New Journal of Chemistry
• Year of publication: 2003
• Journal volume: 27
• Journal issue: 2
• Pages of publication: 313
• a: 23.363 ± 0.0001 Å
• b: 8.554 ± 0.0001 Å
• c: 10.984 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2195.12 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0216
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0508
• Weighted residual factors for all reflections included in the refinement: 0.0513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No