Information card for entry 7006318

Structure parameters

• Common name: C22 H20 Cu N4 O4, 4(F H), 2(F)
• Formula: C22 H24 Cu F6 N4 O4
• Calculated formula: C22 H24 Cu F6 N4 O4
• SMILES: c1cccc2C3(O)[OH][Cu]45([n]12)([n]1c3cccc1)[n]1ccccc1C(O)([OH]4)c1cccc[n]51.[F-].F.F.[F-].F.F
• Title of publication: Bis(di-2-pyridyl-methanediol)copper(II) dihydrogentrifluoride: a structural and spectroscopic study of the H2F3 - anion in a complex salt.
• Authors of publication: Manson, Jamie L.; Southerland, Heather I.; Twamley, Brendan; Rai, Ram; Musfeldt, Janice L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 48
• Pages of publication: 5655 - 5657
• a: 7.6534 ± 0.0002 Å
• b: 15.3303 ± 0.0004 Å
• c: 9.987 ± 0.0002 Å
• α: 90°
• β: 101.066 ± 0.004°
• γ: 90°
• Cell volume: 1149.98 ± 0.05 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0288
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No