Information card for entry 7011666

Structure parameters

• Formula: C34 H14 Co2 F24 N4 O8
• Calculated formula: C34 H14 Co2 F24 N4 O8
• SMILES: [Co]123(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)([O]=C(C(F)(F)F)C=C(O2)C(F)(F)F)[n]1ccccc1c1[n]3cc[n]2[Co]34(OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F)([O]=C(C(F)(F)F)C=C(O4)C(F)(F)F)[n]3c(c12)cccc3
• Title of publication: Antiferromagnetic coupling of transition metal spins across pyrimidine and pyrazine bridges in dinuclear manganese(II), cobalt(II), nickel(II) and copper(II) 1,1,1,5,5,5-hexafluoropentane-2,4-dionate complexes
• Authors of publication: Takayuki Ishida; Takashi Kawakami; Shin-ichi Mitsubori; Takashi Nogami; Kizashi Yamaguchi; Hiizu Iwamura
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 16
• Pages of publication: 3177 - 3186
• a: 13.1827 ± 0.0004 Å
• b: 13.0002 ± 0.0004 Å
• c: 24.7946 ± 0.0008 Å
• α: 90°
• β: 98.895 ± 0.001°
• γ: 90°
• Cell volume: 4198.1 ± 0.2 ų
• Cell temperature: 100 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 significantly intense reflections: 0.0544
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.45
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No