Information card for entry 2215057

Structure parameters

• Common name: (hfac)2Ni(MeCN)2
• Chemical name: <i>trans</i>-Bis(acetonitrile-κN)bis(1,1,1,5,5,5-hexafluoropentane-2,4-\ dionato-κ^2^O,O')nickel(II)
• Formula: C14 H8 F12 N2 Ni O4
• Calculated formula: C14 H8 F12 N2 Ni O4
• SMILES: C1(=CC(C(F)(F)F)=[O][Ni]2([N]#CC)(O1)([N]#CC)OC(=CC(C(F)(F)F)=[O]2)C(F)(F)F)C(F)(F)F
• Title of publication: <i>trans</i>-Bis(acetonitrile-κ<i>N</i>)bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato-κ^2^<i>O</i>,<i>O</i>')nickel(II)
• Authors of publication: Southerland, Heather; Donovan, Jeff; Twamley, Brendan; Manson, Jamie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m2308 - m2308
• a: 20.4841 ± 0.0006 Å
• b: 7.1692 ± 0.0002 Å
• c: 13.9008 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2041.4 ± 0.1 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes