Information card for entry 4336937

Structure parameters

• Formula: C62 H32 F36 Gd2 N8 Ni O14
• Calculated formula: C62 H32 F36 Gd2 N8 Ni O14
• SMILES: c12cccc[n]1[Gd]134(O[N]5=C2c2cccc[n]2[Ni]25([n]5c(cccc5)C5c6cccc[n]6[Gd]678(O[N]2=5)([O]=C(C(F)(F)F)C=C(O6)C(F)(F)F)(OC(=CC(=[O]7)C(F)(F)F)C(F)(F)F)[O]=C(C(F)(F)F)C=C(O8)C(F)(F)F)([n]2ccccc2)[n]2ccccc2)([O]=C(C(F)(F)F)C=C(O1)C(F)(F)F)(OC(=CC(=[O]4)C(F)(F)F)C(F)(F)F)OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F
• Title of publication: Exchange Coupling and Its Chemical Trend Studied by High-Frequency EPR on Heterometallic [Ln2Ni] Complexes
• Authors of publication: Atsushi Okazawa; Takashi Shimada; Norimichi Kojima; Shunsuke Yoshii; Hiroyuki Nojiri; Takayuki Ishida
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 13351 - 13355
• a: 10.851 ± 0.006 Å
• b: 14.736 ± 0.007 Å
• c: 23.5 ± 0.03 Å
• α: 90°
• β: 100.602 ± 0.009°
• γ: 90°
• Cell volume: 3694 ± 5 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 7
• 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: 0.034
• Weighted residual factors for all reflections included in the refinement: 0.0456
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No