Information card for entry 7221922

Structure parameters

• Formula: C33 H29 Ce F18 N4 O11
• Calculated formula: C33 H29 Ce F18 N4 O11
• SMILES: [Ce]1234(ON5C(=N(=O)C(C5(C)C)(C)C)c5oc(C6N(O1)C(C(N=6=O)(C)C)(C)C)cc5)([O]=C(C(F)(F)F)C=C(O2)C(F)(F)F)(OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F)OC(=CC(=[O]4)C(F)(F)F)C(F)(F)F
• Title of publication: A family of rare earth complexes with chelating furan biradicals: syntheses, structures and magnetic properties
• Authors of publication: Tian, Li; Li, Xin; Li, Ting; Liu, Zhong Yi; Wang, Xiuguang
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 14.1078 ± 0.0004 Å
• b: 17.1982 ± 0.0006 Å
• c: 21.4263 ± 0.0005 Å
• α: 108.562 ± 0.003°
• β: 93.305 ± 0.002°
• γ: 113.769 ± 0.003°
• Cell volume: 4405.4 ± 0.3 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1051
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.187
• Weighted residual factors for all reflections included in the refinement: 0.2063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No