Information card for entry 7035532

Structure parameters

• Formula: C28 H21 F18 Gd N3 O9
• Calculated formula: C28 H21 F18 Gd N3 O9
• SMILES: [Gd]12345([O](C)c6[n]5c(ccc6)C5=N(=[O]1)C(C)(C)C([N]5=O)(C)C)([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)[O]=C(C(F)(F)F)C=C(O4)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: 14.194 ± 0.003 Å
• b: 13.196 ± 0.003 Å
• c: 19.369 ± 0.004 Å
• α: 90°
• β: 93.33 ± 0.03°
• γ: 90°
• Cell volume: 3621.8 ± 1.4 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: 0.0329
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No