Information card for entry 7035531

Structure parameters

• Formula: C28 H21 Er F18 N3 O9
• Calculated formula: C28 H21 Er F18 N3 O9
• SMILES: [Er]12345([O](C)c6[n]5c(ccc6)C5N(O1)C(C(N=5=O)(C)C)(C)C)(OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F)[O]=C(C=C(O4)C(F)(F)F)C(F)(F)F
• Title of publication: Unusual Gd-nitronyl nitroxide antiferromagnetic coupling and slow magnetic relaxation in the corresponding Tb analogue.
• Authors of publication: Wang, Xiufeng; Zhu, Mei; Wang, Juanjuan; Li, Licun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 31
• Pages of publication: 13890 - 13896
• a: 11.415 ± 0.002 Å
• b: 22.917 ± 0.005 Å
• c: 16.964 ± 0.006 Å
• α: 90°
• β: 124.48 ± 0.02°
• γ: 90°
• Cell volume: 3658.1 ± 1.9 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No