Information card for entry 7000149

Structure parameters

• Formula: C17 H31 F3 N4 Ni P2
• Calculated formula: C17 H31 F3 N4 Ni P2
• SMILES: [Ni]([P](CC)(CC)CC)([P](CC)(CC)CC)(N=N#N)c1nc(F)c(F)cc1F
• Title of publication: C-F Bond activation at Ni(0) and simple reactions of square planar Ni(II) fluoride complexes.
• Authors of publication: Burling, Suzanne; Elliott, Paul I. P.; Jasim, Naser A.; Lindup, Richard J.; McKenna, Jennifer; Perutz, Robin N.; Archibald, Stephen J.; Whitwood, Adrian C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 22
• Pages of publication: 3686 - 3695
• a: 9.1396 ± 0.0012 Å
• b: 12.7408 ± 0.0012 Å
• c: 19.819 ± 0.003 Å
• α: 90°
• β: 97.383 ± 0.011°
• γ: 90°
• Cell volume: 2288.7 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1477
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 0.74
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No