Information card for entry 7207124

Structure parameters

• Formula: C55 H49 Ce F18 N4 O12
• Calculated formula: C55 H49 Ce F18 N4 O12
• SMILES: [Ce]123([O]=[N]4C(=N(=O)C(C4(C)C)(C)C)c4ccc(OCc5ccccc5)cc4)([O]=[N]4C(=N(=O)C(C4(C)C)(C)C)c4ccc(OCc5ccccc5)cc4)(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)OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F
• Title of publication: Linear chain and mononuclear tri-spin compounds based on the lanthanide-nitronyl nitroxide radicals: structural design and magnetic properties
• Authors of publication: Wang, Ya-Li; Zhou, Na; Ma, Yue; Qin, Zi-Xuan; Wang, Qing-Lun; Li, Li-Cun; Cheng, Peng; Liao, Dai-Zheng
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 1
• Pages of publication: 235
• a: 12.056 ± 0.002 Å
• b: 15.736 ± 0.003 Å
• c: 17.49 ± 0.004 Å
• α: 73.04 ± 0.03°
• β: 74.49 ± 0.03°
• γ: 78.36 ± 0.03°
• Cell volume: 3030.5 ± 1.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 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: 0.0381
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No