Information card for entry 7223575

Structure parameters

• Formula: C40 H26 Dy2 F36 N5 O16
• Calculated formula: C40 H26 Dy2 F36 N5 O16
• SMILES: [Dy]1234(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)([O]=C(C(F)(F)F)C=C(O3)C(F)(F)F)(ON1C(C)(C)C(N2=O[Dy]356(OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F)([O]=C(C(F)(F)F)C=C(O5)C(F)(F)F)(OC(=CC(=[O]6)C(F)(F)F)C(F)(F)F)([OH2])[n]3[nH]c([n]4c3C1=2)C)(C)C)[OH2]
• Title of publication: Modulating spin dynamics of LnIII-radical complexes by using different coligand
• Authors of publication: Tian, Li; Li, Ting; Zhou, Shang Yong; Li, Xin; Liu, Zhong Yi; Guo, Jian Hua; Liao, Dai-zheng
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 25.805 ± 0.005 Å
• b: 24.464 ± 0.005 Å
• c: 23.177 ± 0.005 Å
• α: 90°
• β: 120.81 ± 0.03°
• γ: 90°
• Cell volume: 12567 ± 6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1486
• Weighted residual factors for all reflections included in the refinement: 0.1564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No