Information card for entry 2238376

Structure parameters

• Chemical name: Bis[μ-3,5-bis(pyridin-2-yl)pyrazolato]bis[(hexafluorophosphato)copper(II)]
• Formula: C26 H18 Cu2 F12 N8 P2
• Calculated formula: C26 H18 Cu2 F12 N8 P2
• SMILES: [F]([P](F)(F)(F)(F)F)[Cu]123n4c(cc5c6cccc[n]6[Cu]6([n]45)([F][P](F)(F)(F)(F)F)n4c(cc(c5cccc[n]15)[n]24)c1[n]6cccc1)c1[n]3cccc1
• Title of publication: Bis[μ-3,5-bis(pyridin-2-yl)pyrazolato]bis[(hexafluorophosphato)copper(II)]
• Authors of publication: Mishima, Akio; Katsuta, Nagisa; Furusyou, Midori; Fuyuhiro, Akira; Kawata, Satoshi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: m455 - m456
• a: 6.3558 ± 0.0004 Å
• b: 21.2388 ± 0.0014 Å
• c: 10.9252 ± 0.0009 Å
• α: 90°
• β: 95.753 ± 0.002°
• γ: 90°
• Cell volume: 1467.36 ± 0.18 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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 significantly intense reflections: 0.0271
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes