Information card for entry 7208084

Structure parameters

• Formula: C51 H45 F18 N4 O12 Pr
• Calculated formula: C51 H45 F18 N4 O12 Pr
• SMILES: [Pr]123([O]=C(C(F)(F)F)C=C(O1)C(F)(F)F)([O]=[N]1C(=N(=O)C(C1(C)C)(C)C)c1ccc4c(c1)ccc(OC)c4)([O]=C(C=C(O2)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F)[O]=[N]1C(=N(=O)C(C1(C)C)(C)C)c1ccc2cc(ccc2c1)OC
• Title of publication: A family of lanthanide‒nitronyl nitroxide complexes: syntheses, crystal structures and magnetic properties
• Authors of publication: Wang, Ya-Li; Gao, Yuan-Yuan; Ma, Yue; Wang, Qing-Lun; Li, Li-Cun; Liao, Dai-Zheng
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 14
• Pages of publication: 4706
• a: 12.388 ± 0.003 Å
• b: 14.306 ± 0.003 Å
• c: 19.221 ± 0.004 Å
• α: 100.93 ± 0.03°
• β: 103.76 ± 0.03°
• γ: 111.6 ± 0.03°
• Cell volume: 2927.8 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0692
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.1436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No